"ChemID"	"CASRN"	"Name"	"DTXSID"	"Canonical_QSARr"	"InChI_Code_QSARr"	"InChI Key_QSARr"	"Salt_Solvent"
"1"	"1197-01-9"	"p-Cymen-8-ol"	"DTXSID0024890"	"CC1C=CC(=CC=1)C(C)(C)O"	"InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3"	"XLPDVYGDNRIQFV-UHFFFAOYSA-N"	"?"
"2"	"68523-18-2"	"Fenpirithrin"	"DTXSID3058161"	"CC1(C)C(C1C=C(Cl)Cl)C(=O)OC(C#N)C1=CC=CC(=N1)OC1=CC=CC=C1"	"InChI=1S/C21H18Cl2N2O3/c1-21(2)14(11-17(22)23)19(21)20(26)28-16(12-24)15-9-6-10-18(25-15)27-13-7-4-3-5-8-13/h3-11,14,16,19H,1-2H3"	"IHVPAVRHNZFQKC-UHFFFAOYSA-N"	"?"
"3"	"88-04-0"	"4-Chloro-3,5-dimethylphenol"	"DTXSID0032316"	"CC1C=C(O)C=C(C)C=1Cl"	"InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3"	"OSDLLIBGSJNGJE-UHFFFAOYSA-N"	"?"
"4"	"603-50-9"	"Bisacodyl"	"DTXSID1022681"	"CC(=O)OC1C=CC(=CC=1)C(C1C=CC=CN=1)C1C=CC(=CC=1)OC(C)=O"	"InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3"	"KHOITXIGCFIULA-UHFFFAOYSA-N"	"?"
"5"	"120-36-5"	"Dichlorprop"	"DTXSID0020440"	"CC(OC1C=CC(Cl)=CC=1Cl)C(O)=O"	"InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)"	"MZHCENGPTKEIGP-UHFFFAOYSA-N"	"?"
"6"	"103-26-4"	"Methyl cinnamate"	"DTXSID6042151"	"COC(=O)C=CC1C=CC=CC=1"	"InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3"	"CCRCUPLGCSFEDV-UHFFFAOYSA-N"	"?"
"7"	"54-80-8"	"Pronethalol"	"DTXSID8021193"	"CC(C)NCC(O)C1C=CC2C=CC=CC=2C=1"	"InChI=1S/C15H19NO/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3"	"HRSANNODOVBCST-UHFFFAOYSA-N"	"?"
"8"	"51423-20-2"			"COC1=CC2OC(C)(C)C(C(C=2C=C1)C1C=CC(=CC=1)OCCN1CCCC1)C1C=CC=CC=1"	"InChI=1S/C30H35NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3"	"XZEUAXYWNKYKPL-UHFFFAOYSA-N"	"?"
"9"	"69226-50-2"	"Succinonitrile, 2,3-epoxy-, (-)-(E)-"	"DTXSID60219272"	"N#CC1OC1C#N"	"InChI=1S/C4H2N2O/c5-1-3-4(2-6)7-3/h3-4H"	"OCNCPWDJFLOERA-UHFFFAOYSA-N"	"?"
"10"	"2107-76-8"	"5,7-Dihydroxy-4-methylcoumarin"	"DTXSID0025078"	"CC1=CC(=O)OC2C=C(O)C=C(O)C=21"	"InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3"	"QNVWGEJMXOQQPM-UHFFFAOYSA-N"	"?"
"11"	"105-87-3"	"Geranyl acetate"	"DTXSID0020654"	"CC(C)=CCCC(C)=CCOC(C)=O"	"InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3"	"HIGQPQRQIQDZMP-UHFFFAOYSA-N"	"?"
"12"	"77664-07-4"			"COC1C=C(C=C(OC)C=1OC)C=CC(=S)N1CCOCC1"	"InChI=1S/C16H21NO4S/c1-18-13-10-12(11-14(19-2)16(13)20-3)4-5-15(22)17-6-8-21-9-7-17/h4-5,10-11H,6-9H2,1-3H3"	"VKPHNZLLDFYGDL-UHFFFAOYSA-N"	"?"
"13"	"17090-79-8"	"Monensin"	"DTXSID4048561"	"CC1(CCC2(CC(O)C(C)C(O2)C(C)C(OC)C(C)C(O)=O)O1)C1CCC(CC)(O1)C1OC(CC1C)C1OC(O)(CO)C(C)CC1C"	"InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)"	"GAOZTHIDHYLHMS-UHFFFAOYSA-N"	"?"
"14"	"51-75-2"	"Nitrogen mustard"	"DTXSID2020975"	"CN(CCCl)CCCl"	"InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3"	"HAWPXGHAZFHHAD-UHFFFAOYSA-N"	"?"
"15"	"13758-99-1"			"C[N+]1(CC2C(C1)C1CCC2C=C1)CC[N+]1(C)CCCC1"	"InChI=1S/C18H32N2/c1-19(9-3-4-10-19)11-12-20(2)13-17-15-5-6-16(8-7-15)18(17)14-20/h5-6,15-18H,3-4,7-14H2,1-2H3/q+2"	"OMVAFZOJTJKCRE-UHFFFAOYSA-N"	"[I-].[I-]"
"16"	"3615-74-5"	"Promolate"	"DTXSID80189721"	"CC(C)(OC1C=CC=CC=1)C(=O)OCCN1CCOCC1"	"InChI=1S/C16H23NO4/c1-16(2,21-14-6-4-3-5-7-14)15(18)20-13-10-17-8-11-19-12-9-17/h3-7H,8-13H2,1-2H3"	"GMISKEUWHIRDNK-UHFFFAOYSA-N"	"?"
"17"	"122-72-5"	"3-Phenylpropyl acetate"	"DTXSID2047648"	"CC(=O)OCCCC1C=CC=CC=1"	"InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3"	"JRJGKUTZNBZHNK-UHFFFAOYSA-N"	"?"
"18"	"3804-89-5"	"Isoniazid sodium methanesulfonate"	"DTXSID7046885"	"OS(=O)(=O)CNNC(=O)C1=CC=NC=C1"	"InChI=1S/C7H9N3O4S/c11-7(6-1-3-8-4-2-6)10-9-5-15(12,13)14/h1-4,9H,5H2,(H,10,11)(H,12,13,14)"	"GQZQCROBCYNTMU-UHFFFAOYSA-N"	"[Na+]"
"19"	"17804-35-2"	"Benomyl"	"DTXSID5023900"	"CCCCNC(=O)N1C(NC(=O)OC)=NC2C=CC=CC1=2"	"InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)"	"RIOXQFHNBCKOKP-UHFFFAOYSA-N"	"?"
"20"	"3244-90-4"	"Aspon"	"DTXSID6032510"	"CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC"	"InChI=1S/C12H28O5P2S2/c1-5-9-13-18(20,14-10-6-2)17-19(21,15-11-7-3)16-12-8-4/h5-12H2,1-4H3"	"IIDFEIDMIKSJSV-UHFFFAOYSA-N"	"?"
"21"	"77-74-7"	"3-Methyl-3-pentanol"	"DTXSID0021755"	"CC(O)(CC)CC"	"InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3"	"FRDAATYAJDYRNW-UHFFFAOYSA-N"	"?"
"22"	"460-00-4"	"1-Bromo-4-fluorobenzene"	"DTXSID4027153"	"FC1=CC=C(Br)C=C1"	"InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H"	"AITNMTXHTIIIBB-UHFFFAOYSA-N"	"?"
"23"	"1025-15-6"	"Triallyl isocyanurate"	"DTXSID0026175"	"C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O"	"InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2"	"KOMNUTZXSVSERR-UHFFFAOYSA-N"	"?"
"24"	"4410-48-4"			"CN1C2C3CC4C(CC)C(O)N3C3CC2(C(O)C43)C2=CC=CC=C12"	"InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3"	"CJDRUOGAGYHKKD-UHFFFAOYSA-N"	"Cl"
"25"	"111-69-3"	"Hexanedinitrile"	"DTXSID3021936"	"N#CCCCCC#N"	"InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2"	"BTGRAWJCKBQKAO-UHFFFAOYSA-N"	"?"
"26"	"59-30-3"	"Folic acid"	"DTXSID0022519"	"NC1NC2N=CC(CNC3C=CC(=CC=3)C(=O)NC(CCC(O)=O)C(O)=O)=NC=2C(=O)N=1"	"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)"	"OVBPIULPVIDEAO-UHFFFAOYSA-N"	"?"
"27"	"25999-31-9"	"Lasalocid"	"DTXSID9048485"	"CC1=CC=C(CCC(C)C(O)C(C)C(=O)C(CC)C2OC(CC2C)(CC)C2CCC(O)(CC)C(C)O2)C(=C1O)C(O)=O"	"InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)"	"BBMULGJBVDDDNI-UHFFFAOYSA-N"	"?"
"28"	"16006-73-8"	"3-Pyrazolin-5-one, 1,2-diphenyl-3-hydroxy-4-(3-oxobutyl)-, benzoate (ester)"	"DTXSID80166794"	"CC(=O)CCC1=C(OC(=O)C2C=CC=CC=2)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O"	"InChI=1S/C26H22N2O4/c1-19(29)17-18-23-24(30)27(21-13-7-3-8-14-21)28(22-15-9-4-10-16-22)25(23)32-26(31)20-11-5-2-6-12-20/h2-16H,17-18H2,1H3"	"WLUQXCUDFMPPSW-UHFFFAOYSA-N"	"?"
"29"	"932-83-2"	"N-Nitrosohexamethyleneimine"	"DTXSID0021040"	"O=NN1CCCCCC1"	"InChI=1S/C6H12N2O/c9-7-8-5-3-1-2-4-6-8/h1-6H2"	"UZMVSVHUTOAPTD-UHFFFAOYSA-N"	"?"
"30"	"1631-52-3"			"CN(C)C1CSSC1"	"InChI=1S/C5H11NS2/c1-6(2)5-3-7-8-4-5/h5H,3-4H2,1-2H3"	"DSOOGBGKEWZRIH-UHFFFAOYSA-N"	"C(=O)(C(=O)[O-])O"
"31"	"17226-75-4"	"Khellol Glucoside"	"DTXSID40878402"	"COC1=C2C=COC2=CC2OC(COC3OC(CO)C(O)C(O)C3O)=CC(=O)C=21"	"InChI=1S/C19H20O10/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3"	"SJRACCTZSAUMGO-UHFFFAOYSA-N"	"?"
"32"	"333-43-7"	"O-Ethyl S-(4-methylphenyl) ethylphosphonodithioate"	"DTXSID5042241"	"CC1C=CC(=CC=1)SP(=S)(CC)OCC"	"InChI=1S/C11H17OPS2/c1-4-12-13(14,5-2)15-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3"	"NBOFCNFKEBLKTL-UHFFFAOYSA-N"	"?"
"33"	"494-47-3"	"Hydrofuramide"	"DTXSID30877702"	"C(=NC(N=CC1=CC=CO1)C1=CC=CO1)C1=CC=CO1"	"InChI=1S/C15H12N2O3/c1-4-12(18-7-1)10-16-15(14-6-3-9-20-14)17-11-13-5-2-8-19-13/h1-11,15H"	"CYGDSXFTXXFMNI-UHFFFAOYSA-N"	"?"
"34"	"1069-66-5"	"Sodium valproate"	"DTXSID5037072"	"CCCC(CCC)C(O)=O"	"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)"	"NIJJYAXOARWZEE-UHFFFAOYSA-N"	"[Na+]"
"35"	"1531-94-8"	"Cyclohexanol, 4-piperidino-, acetate (ester)"	"DTXSID60165220"	"CC(=O)OC1CCC(CC1)N1CCCCC1"	"InChI=1S/C13H23NO2/c1-11(15)16-13-7-5-12(6-8-13)14-9-3-2-4-10-14/h12-13H,2-10H2,1H3"	"HCDGMLMWTNNERJ-UHFFFAOYSA-N"	"?"
"36"	"19379-90-9"	"Dodecyl bis(2-hydroxyethyl) benzyl ammonium chloride"	"DTXSID3041906"	"CCCCCCCCCCCC[N+](CC1C=CC=CC=1)(CCO)CCO"	"InChI=1S/C23H42NO2/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3/q+1"	"BTAFSOGRDASALR-UHFFFAOYSA-N"	"[Cl-]"
"37"	"20227-53-6"	"Phosphorous acid, 2-(1,1-dimethylethyl)-4-[1-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-methylethyl]phenyl bis(4-nonylphenyl) ester"	"DTXSID0027808"	"CC(C)(C)C1C=C(C=CC=1OP(OC1C=CC(CCCCCCCCC)=CC=1)OC1C=CC(CCCCCCCCC)=CC=1)C(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C"	"InChI=1S/C53H77O4P/c1-11-13-15-17-19-21-23-25-41-27-33-45(34-28-41)55-58(56-46-35-29-42(30-36-46)26-24-22-20-18-16-14-12-2)57-50-38-32-44(40-48(50)52(6,7)8)53(9,10)43-31-37-49(54)47(39-43)51(3,4)5/h27-40,54H,11-26H2,1-10H3"	"GVCIJKWSBDKBJP-UHFFFAOYSA-N"	"?"
"38"	"60-34-4"	"Methylhydrazine"	"DTXSID4020874"	"CNN"	"InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3"	"HDZGCSFEDULWCS-UHFFFAOYSA-N"	"?"
"39"	"66941-57-9"	"Barbituric acid, 5-allyl-5-(2-(butylthio)ethyl)-2-thio-, sodium salt"	"DTXSID10217122"	"CCCCSCCC1(CC=C)C(=O)NC(S)=NC1=O"	"InChI=1S/C13H20N2O2S2/c1-3-5-8-19-9-7-13(6-4-2)10(16)14-12(18)15-11(13)17/h4H,2-3,5-9H2,1H3,(H2,14,15,16,17,18)"	"XBKQLRPRXKVBHG-UHFFFAOYSA-N"	"[Na+]"
"40"	"52578-56-0"	"Sulfide, bis(dihydroxyphenyl)"	"DTXSID60200549"	"OC1=CC(O)=CC(=C1)SC1=CC(O)=CC(O)=C1"	"InChI=1S/C12H10O4S/c13-7-1-8(14)4-11(3-7)17-12-5-9(15)2-10(16)6-12/h1-6,13-16H"	"SQOKGOOYYFKAJJ-UHFFFAOYSA-N"	"?"
"41"	"302-41-0"	"Piritramide [INN:BAN:DCF]"	"DTXSID00184293"	"NC(=O)C1(CCN(CCC(C#N)(C2C=CC=CC=2)C2C=CC=CC=2)CC1)N1CCCCC1"	"InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)"	"IHEHEFLXQFOQJO-UHFFFAOYSA-N"	"?"
"42"	"10108-56-2"			"CCCCNC1CCCCC1"	"InChI=1S/C10H21N/c1-2-3-9-11-10-7-5-4-6-8-10/h10-11H,2-9H2,1H3"	"VXXLEXCQCSPKFI-UHFFFAOYSA-N"	"?"
"43"	"56-38-2"	"Parathion"	"DTXSID7021100"	"CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OCC"	"InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3"	"LCCNCVORNKJIRZ-UHFFFAOYSA-N"	"?"
"44"	"541-28-6"	"Butane, 1-iodo-3-methyl-"	"DTXSID8060246"	"CC(C)CCI"	"InChI=1S/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3"	"BUZZUHJODKQYTF-UHFFFAOYSA-N"	"?"
"45"	"7683-59-2"	"Isoproterenol"	"DTXSID4023175"	"CC(C)NCC(O)C1=CC=C(O)C(O)=C1"	"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3"	"JWZZKOKVBUJMES-UHFFFAOYSA-N"	"?"
"46"	"532-02-5"	"Sodium 2-naphthalenesulfonate"	"DTXSID4041442"	"OS(=O)(=O)C1C=C2C=CC=CC2=CC=1"	"InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)"	"KVBGVZZKJNLNJU-UHFFFAOYSA-N"	"[Na+]"
"47"	"21586-21-0"			"CC(N)CC(C)(C)N"	"InChI=1S/C6H16N2/c1-5(7)4-6(2,3)8/h5H,4,7-8H2,1-3H3"	"PCXAQLMRLMZKRL-UHFFFAOYSA-N"	"?"
"48"	"64059-14-9"	"Carbamic acid, methyl-, 4-diallylaminophenyl ester"	"DTXSID60214247"	"CNC(=O)OC1C=CC(=CC=1)N(CC=C)CC=C"	"InChI=1S/C14H18N2O2/c1-4-10-16(11-5-2)12-6-8-13(9-7-12)18-14(17)15-3/h4-9H,1-2,10-11H2,3H3,(H,15,17)"	"QKXMQCQXIQIDMZ-UHFFFAOYSA-N"	"?"
"49"	"536-60-7"	"4-Isopropylbenzyl alcohol"	"DTXSID0021626"	"CC(C)C1C=CC(CO)=CC=1"	"InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3"	"OIGWAXDAPKFNCQ-UHFFFAOYSA-N"	"?"
"50"	"124-63-0"	"Methanesulfonyl chloride"	"DTXSID1021615"	"CS(=O)(=O)Cl"	"InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3"	"QARBMVPHQWIHKH-UHFFFAOYSA-N"	"?"
"51"	"1897-45-6"	"Chlorothalonil"	"DTXSID0020319"	"N#CC1C(Cl)=C(Cl)C(Cl)=C(C#N)C=1Cl"	"InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14"	"CRQQGFGUEAVUIL-UHFFFAOYSA-N"	"?"
"52"	"6315-89-5"	"3,4-Dimethoxyaniline"	"DTXSID8064226"	"COC1C=CC(N)=CC=1OC"	"InChI=1S/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3"	"LGDHZCLREKIGKJ-UHFFFAOYSA-N"	"?"
"53"	"120-21-8"	"4-(Diethylamino)benzaldehyde"	"DTXSID0021963"	"CCN(CC)C1C=CC(C=O)=CC=1"	"InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3"	"MNFZZNNFORDXSV-UHFFFAOYSA-N"	"?"
"54"	"78816-47-4"	"Carbamic acid, (10,11-dihydro-5-(3-(4-morpholinyl)-1-oxopropyl)-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride"	"DTXSID80229318"	"CCOC(=O)NC1=CC=C2CCC3=CC=CC=C3N(C2=C1)C(=O)CCN1CCOCC1"	"InChI=1S/C24H29N3O4/c1-2-31-24(29)25-20-10-9-19-8-7-18-5-3-4-6-21(18)27(22(19)17-20)23(28)11-12-26-13-15-30-16-14-26/h3-6,9-10,17H,2,7-8,11-16H2,1H3,(H,25,29)"	"ZVWHBOUJAFWVEB-UHFFFAOYSA-N"	"Cl"
"55"	"60047-17-8"	"2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-"	"DTXSID60863673"	"CC(C)(O)C1CCC(C)(C=C)O1"	"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3"	"BRHDDEIRQPDPMG-UHFFFAOYSA-N"	"?"
"56"	"101-39-3"	"alpha-Methyl cinnamaldehyde"	"DTXSID4025587"	"CC(=CC1C=CC=CC=1)C=O"	"InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3"	"VLUMOWNVWOXZAU-UHFFFAOYSA-N"	"?"
"57"	"5942-95-0"	"Carpipramine"	"DTXSID40208149"	"NC(=O)C1(CCN(CCCN2C3C=CC=CC=3CCC3C=CC=CC2=3)CC1)N1CCCCC1"	"InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)"	"NWPJLRSCSQHPJV-UHFFFAOYSA-N"	"?"
"58"	"53558-25-1"	"Pyrinuron"	"DTXSID1042360"	"[O-][N+](=O)C1C=CC(=CC=1)NC(=O)NCC1=CN=CC=C1"	"InChI=1S/C13H12N4O3/c18-13(15-9-10-2-1-7-14-8-10)16-11-3-5-12(6-4-11)17(19)20/h1-8H,9H2,(H2,15,16,18)"	"CLKZWXHKFXZIMA-UHFFFAOYSA-N"	"?"
"59"	"79-22-1"	"Methyl chlorocarbonate"	"DTXSID0024185"	"COC(=O)Cl"	"InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3"	"XMJHPCRAQCTCFT-UHFFFAOYSA-N"	"?"
"60"	"321-54-0"	"Coumaphos oxon"	"DTXSID1037513"	"CC1C2C=CC(=CC=2OC(=O)C=1Cl)OP(=O)(OCC)OCC"	"InChI=1S/C14H16ClO6P/c1-4-18-22(17,19-5-2)21-10-6-7-11-9(3)13(15)14(16)20-12(11)8-10/h6-8H,4-5H2,1-3H3"	"FDYMERLIFOUIRZ-UHFFFAOYSA-N"	"?"
"61"	"129-81-7"	"Iodoantipyrine"	"DTXSID7046047"	"CN1C(C)=C(I)C(=O)N1C1C=CC=CC=1"	"InChI=1S/C11H11IN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3"	"ZZOBLCHCPLOXCE-UHFFFAOYSA-N"	"?"
"62"	"77-06-5"	"Gibberellic acid"	"DTXSID0020656"	"CC12C3C(C(O)=O)C45CC(O)(CCC4C3(C=CC1O)OC2=O)C(=C)C5"	"InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)"	"IXORZMNAPKEEDV-UHFFFAOYSA-N"	"?"
"63"	"4746-87-6"	"Benzeneacetamide, alpha-hydroxy-alpha-phenyl- (9CI)"	"DTXSID60197147"	"NC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C14H13NO2/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H2,15,16)"	"REQXYFLFNBBIRX-UHFFFAOYSA-N"	"?"
"64"	"92-59-1"	"N-Ethyl-N-phenyl benzylamine"	"DTXSID0025315"	"CCN(CC1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C15H17N/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3"	"HSZCJVZRHXPCIA-UHFFFAOYSA-N"	"?"
"65"	"76211-54-6"	"Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile"	"DTXSID40227072"	"CC1=CC(=CC=C1OP(=S)(OC)OC)C#N"	"InChI=1S/C10H12NO3PS/c1-8-6-9(7-11)4-5-10(8)14-15(16,12-2)13-3/h4-6H,1-3H3"	"VJEQJCFWMZOKRZ-UHFFFAOYSA-N"	"?"
"66"	"38237-74-0"	"1-Pentanone, 1-(4-aminophenyl)-"	"DTXSID4068082"	"CCCCC(=O)C1C=CC(N)=CC=1"	"InChI=1S/C11H15NO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4,12H2,1H3"	"ODSCUBSJIFLFPF-UHFFFAOYSA-N"	"?"
"67"	"40806-03-9"			"COP(=O)(OC(Br)C(Br)(Br)Br)OC"	"InChI=1S/C4H7Br4O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3"	"NNJOGRJSKIPHRS-UHFFFAOYSA-N"	"?"
"68"	"75-99-0"	"Dalapon"	"DTXSID2021575"	"CC(Cl)(Cl)C(O)=O"	"InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)"	"NDUPDOJHUQKPAG-UHFFFAOYSA-N"	"?"
"69"	"95-08-9"	"Triethylene glycol bis(2-ethylbutyrate)"	"DTXSID80861696"	"CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC"	"InChI=1S/C18H34O6/c1-5-15(6-2)17(19)23-13-11-21-9-10-22-12-14-24-18(20)16(7-3)8-4/h15-16H,5-14H2,1-4H3"	"JEYLQCXBYFQJRO-UHFFFAOYSA-N"	"?"
"70"	"24258-94-4"			"COC(C1CCCCC1N1CCCCC1)C1C=CC(=CC=1)OC"	"InChI=1S/C20H31NO2/c1-22-17-12-10-16(11-13-17)20(23-2)18-8-4-5-9-19(18)21-14-6-3-7-15-21/h10-13,18-20H,3-9,14-15H2,1-2H3"	"JCOVTQVCCJCVNG-UHFFFAOYSA-N"	"?"
"71"	"101-02-0"	"Triphenyl phosphite"	"DTXSID0026252"	"C1=CC=CC=C1OP(OC1C=CC=CC=1)OC1C=CC=CC=1"	"InChI=1S/C18H15O3P/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H"	"HVLLSGMXQDNUAL-UHFFFAOYSA-N"	"?"
"72"	"2938-98-9"			"CC(CCO)CO"	"InChI=1S/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3"	"MWCBGWLCXSUTHK-UHFFFAOYSA-N"	"?"
"73"	"12224-02-1"	"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)"	"DTXSID40889598"	"OS(=O)(=O)C1=CC(=CC=C1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1=NC(NC2C=C(C=CC=2)S(O)(=O)=O)=NC(=N1)N(CCO)CCO)NC1N=C(NC2C=C(C=CC=2)S(O)(=O)=O)N=C(N=1)N(CCO)CCO"	"InChI=1S/C40H44N12O16S4/c53-17-13-51(14-18-54)39-47-35(41-27-3-1-5-31(21-27)69(57,58)59)45-37(49-39)43-29-11-9-25(33(23-29)71(63,64)65)7-8-26-10-12-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(15-19-55)16-20-56)42-28-4-2-6-32(22-28)70(60,61)62/h1-12,21-24,53-56H,13-20H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50)"	"NCIZQSIIFQYLMW-UHFFFAOYSA-N"	"[Na+].[Na+].[Na+]"
"74"	"2455-24-5"	"Tetrahydrofurfuryl methacrylate"	"DTXSID0022191"	"CC(=C)C(=O)OCC1CCCO1"	"InChI=1S/C9H14O3/c1-7(2)9(10)12-6-8-4-3-5-11-8/h8H,1,3-6H2,2H3"	"LCXXNKZQVOXMEH-UHFFFAOYSA-N"	"?"
"75"	"376-89-6"	"Glutaronitrile, perfluoro-"	"DTXSID20191040"	"N#CC(F)(F)C(F)(F)C(F)(F)C#N"	"InChI=1S/C5F6N2/c6-3(7,1-12)5(10,11)4(8,9)2-13"	"YDLOFKOZJGMQBZ-UHFFFAOYSA-N"	"?"
"76"	"29098-15-5"	"Terofenamate"	"DTXSID20183344"	"CC1=CC=C(Cl)C(NC2C=CC=CC=2C(=O)OCOCC)=C1Cl"	"InChI=1S/C17H17Cl2NO3/c1-3-22-10-23-17(21)12-6-4-5-7-14(12)20-16-13(18)9-8-11(2)15(16)19/h4-9,20H,3,10H2,1-2H3"	"FRQSLQPWXFAJFO-UHFFFAOYSA-N"	"?"
"77"	"71-63-6"	"Digitoxin"	"DTXSID0022933"	"CC12CCC(CC1CCC1C2CCC2(C)C(CCC21O)C1COC(=O)C=1)OC1CC(O)C(OC2CC(O)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C(C)O1"	"InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3"	"WDJUZGPOPHTGOT-UHFFFAOYSA-N"	"?"
"78"	"4437-22-3"	"Furan, 2,2'-[oxybis(methylene)]bis-"	"DTXSID8063464"	"C(OCC1=CC=CO1)C1=CC=CO1"	"InChI=1S/C10H10O3/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6H,7-8H2"	"YEQMNLGBLPBBNI-UHFFFAOYSA-N"	"?"
"79"	"150-19-6"	"3-Methoxyphenol"	"DTXSID0022012"	"COC1C=C(O)C=CC=1"	"InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3"	"ASHGTJPOSUFTGB-UHFFFAOYSA-N"	"?"
"80"	"75-66-1"	"2-Methyl-2-propanethiol"	"DTXSID0026418"	"CC(C)(C)S"	"InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3"	"WMXCDAVJEZZYLT-UHFFFAOYSA-N"	"?"
"81"	"87-47-8"	"Pyrolan"	"DTXSID6042361"	"CN(C)C(=O)OC1=CC(C)=NN1C1C=CC=CC=1"	"InChI=1S/C13H15N3O2/c1-10-9-12(18-13(17)15(2)3)16(14-10)11-7-5-4-6-8-11/h4-9H,1-3H3"	"GEDIWDLJKRKBFT-UHFFFAOYSA-N"	"?"
"82"	"10265-69-7"	"Glycine, N-phenyl-, monosodium salt"	"DTXSID0027723"	"OC(=O)CNC1C=CC=CC=1"	"InChI=1S/C8H9NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)"	"NPKSPKHJBVJUKB-UHFFFAOYSA-N"	"[Na+]"
"83"	"30616-36-5"	"Acetic acid, bis(p-chlorophenoxy)-, cyclohexyl ester"	"DTXSID50184682"	"O=C(OC1CCCCC1)C(OC1=CC=C(Cl)C=C1)OC1=CC=C(Cl)C=C1"	"InChI=1S/C20H20Cl2O4/c21-14-6-10-17(11-7-14)25-20(26-18-12-8-15(22)9-13-18)19(23)24-16-4-2-1-3-5-16/h6-13,16,20H,1-5H2"	"VXPXCNZMCSKVAS-UHFFFAOYSA-N"	"?"
"84"	"136687-75-7"			"COC1C=CC=CC=1C1C(Cl)C(=O)N1C1C=CC=CC=1C(O)=O"	"InChI=1S/C17H14ClNO4/c1-23-13-9-5-3-7-11(13)15-14(18)16(20)19(15)12-8-4-2-6-10(12)17(21)22/h2-9,14-15H,1H3,(H,21,22)"	"ASZAEPHBOWOTBP-UHFFFAOYSA-N"	"?"
"85"	"621-64-7"	"N-Nitrosodipropylamine"	"DTXSID6021032"	"CCCN(CCC)N=O"	"InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3"	"YLKFDHTUAUWZPQ-UHFFFAOYSA-N"	"?"
"86"	"551-08-6"	"1(3H)-Isobenzofuranone, 3-butylidene-"	"DTXSID9060281"	"CCCC=C1OC(=O)C2C=CC=CC=21"	"InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3"	"WMBOCUXXNSOQHM-UHFFFAOYSA-N"	"?"
"87"	"132-20-7"	"Pheniramine maleate"	"DTXSID0025866"	"CN(C)CCC(C1C=CC=CN=1)C1C=CC=CC=1"	"InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3"	"IJHNSHDBIRRJRN-UHFFFAOYSA-N"	"C(/C=C\C(=O)[O-])(=O)[O-]"
"88"	"109593-75-1"	"Triethylamine, 2-(3,5-dibromo-2-pentyloxybenzyloxy)-"	"DTXSID50148986"	"CCCCCOC1C(COCCN(CC)CC)=CC(Br)=CC=1Br"	"InChI=1S/C18H29Br2NO2/c1-4-7-8-10-23-18-15(12-16(19)13-17(18)20)14-22-11-9-21(5-2)6-3/h12-13H,4-11,14H2,1-3H3"	"LQXINFJRTAAUGV-UHFFFAOYSA-N"	"?"
"89"	"154-41-6"	"Phenylpropanolamine hydrochloride"	"DTXSID2025896"	"CC(N)C(O)C1C=CC=CC=1"	"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3"	"DLNKOYKMWOXYQA-UHFFFAOYSA-N"	"Cl"
"90"	"2720-18-5"			"CC(C)OP(C)(=S)OC1C=C(Cl)C(Br)=CC=1Cl"	"InChI=1S/C10H12BrCl2O2PS/c1-6(2)14-16(3,17)15-10-5-8(12)7(11)4-9(10)13/h4-6H,1-3H3"	"XELURNPXOIANMJ-UHFFFAOYSA-N"	"?"
"91"	"339-43-5"	"Carbutamide"	"DTXSID8022741"	"CCCCNC(=O)NS(=O)(=O)C1=CC=C(N)C=C1"	"InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)"	"VDTNNGKXZGSZIP-UHFFFAOYSA-N"	"?"
"92"	"97-77-8"	"Disulfiram"	"DTXSID1021322"	"CCN(CC)C(=S)SSC(=S)N(CC)CC"	"InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3"	"AUZONCFQVSMFAP-UHFFFAOYSA-N"	"?"
"93"	"149-91-7"	"Gallic acid"	"DTXSID0020650"	"OC1C=C(C=C(O)C=1O)C(O)=O"	"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)"	"LNTHITQWFMADLM-UHFFFAOYSA-N"	"?"
"94"	"62295-52-7"	"(2-Methyl-1-(2-piperidino-1-ethyl)-2-(1,4-dihydro-4-pyridylidene))-1,3-indenedione"	"DTXSID40211350"	"CC1=CC(C=CN1CCN1CCCCC1)=C1C(=O)C2=CC=CC=C2C1=O"	"InChI=1S/C22H24N2O2/c1-16-15-17(9-12-24(16)14-13-23-10-5-2-6-11-23)20-21(25)18-7-3-4-8-19(18)22(20)26/h3-4,7-9,12,15H,2,5-6,10-11,13-14H2,1H3"	"XSIKFXCUMRSDMZ-UHFFFAOYSA-N"	"?"
"95"	"591-08-2"	"1-Acetyl-2-thiourea"	"DTXSID4060446"	"CC(=O)NC(N)=S"	"InChI=1S/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)"	"IPCRBOOJBPETMF-UHFFFAOYSA-N"	"?"
"96"	"136-85-6"	"5-Methyl-1H-benzotriazole"	"DTXSID1038743"	"CC1=CC2N=NNC=2C=C1"	"InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)"	"LRUDIIUSNGCQKF-UHFFFAOYSA-N"	"?"
"97"	"65474-39-7"	"Indomethacin salicylate"	"DTXSID60215794"	"CC1=C(CC(=O)OC2=CC=CC=C2C(O)=O)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"InChI=1S/C26H20ClNO6/c1-15-20(14-24(29)34-23-6-4-3-5-19(23)26(31)32)21-13-18(33-2)11-12-22(21)28(15)25(30)16-7-9-17(27)10-8-16/h3-13H,14H2,1-2H3,(H,31,32)"	"ZMVHVVYABPAONG-UHFFFAOYSA-N"	"?"
"98"	"144-62-7"	"Oxalic acid"	"DTXSID0025816"	"OC(=O)C(O)=O"	"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)"	"MUBZPKHOEPUJKR-UHFFFAOYSA-N"	"?"
"99"	"64-19-7"	"Acetic acid"	"DTXSID5024394"	"CC(O)=O"	"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)"	"QTBSBXVTEAMEQO-UHFFFAOYSA-N"	"?"
"100"	"4169-04-4"	"2-Phenoxy-1-propanol"	"DTXSID7029665"	"CC(CO)OC1C=CC=CC=1"	"InChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3"	"LOJHHQNEBFCTQK-UHFFFAOYSA-N"	"?"
"101"	"69267-51-2"	"2-Nitronaphtho(2,1-b)furan"	"DTXSID00219332"	"[O-][N+](=O)C1=CC2C3=CC=CC=C3C=CC=2O1"	"InChI=1S/C12H7NO3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H"	"HXRMBVOCHDEAQH-UHFFFAOYSA-N"	"?"
"102"	"18545-48-7"	"Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester"	"DTXSID50171779"	"CCCCSP(=O)(N(C)C)N(C)C"	"InChI=1S/C8H21N2OPS/c1-6-7-8-13-12(11,9(2)3)10(4)5/h6-8H2,1-5H3"	"RQAYRFMBTPCBDI-UHFFFAOYSA-N"	"?"
"103"	"99300-57-9"			"CCN(CC)P1(=S)OCC2C=C(C=CC=2O1)[N+]([O-])=O"	"InChI=1S/C11H15N2O4PS/c1-3-12(4-2)18(19)16-8-9-7-10(13(14)15)5-6-11(9)17-18/h5-7H,3-4,8H2,1-2H3"	"RFKJUUCIILYXBE-UHFFFAOYSA-N"	"?"
"104"	"54041-17-7"	"Acetamide, N-(4-fluorophenyl)-2-hydroxy-N-(1-methylethyl)-"	"DTXSID4041571"	"CC(C)N(C(=O)CO)C1C=CC(F)=CC=1"	"InChI=1S/C11H14FNO2/c1-8(2)13(11(15)7-14)10-5-3-9(12)4-6-10/h3-6,8,14H,7H2,1-2H3"	"RISGISSUGUGJMO-UHFFFAOYSA-N"	"?"
"105"	"66232-30-2"	"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester"	"DTXSID10216433"	"CCCCCCCCCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl"	"InChI=1S/C30H51Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-35-30(34)27-28-18-20-29(21-19-28)33(24-22-31)25-23-32/h18-21H,2-17,22-27H2,1H3"	"XHDQZPFSXMCVDF-UHFFFAOYSA-N"	"?"
"106"	"10605-10-4"	"4-Chloro-2-phenylphenol sodium salt"	"DTXSID5041510"	"OC1=CC=C(Cl)C=C1C1C=CC=CC=1"	"InChI=1S/C12H9ClO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,14H"	"DSQWWSVOIGUHAE-UHFFFAOYSA-N"	"[Na+]"
"107"	"63675-72-9"	"Nisoldipine"	"DTXSID0023371"	"CC(C)COC(=O)C1C(C2=CC=CC=C2[N+]([O-])=O)C(C(=O)OC)=C(C)NC=1C"	"InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3"	"VKQFCGNPDRICFG-UHFFFAOYSA-N"	"?"
"108"	"72509-76-3"	"Felodipine"	"DTXSID4023042"	"COC(=O)C1C(C(C(=O)OCC)=C(C)NC=1C)C1=CC=CC(Cl)=C1Cl"	"InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3"	"RZTAMFZIAATZDJ-UHFFFAOYSA-N"	"?"
"109"	"54395-52-7"	"1H-Isoindole-1,3(2H)-dione, 5,5'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[2-methyl-"	"DTXSID0028036"	"CC(C)(C1C=CC(=CC=1)OC1=CC2=C(C=C1)C(=O)N(C)C2=O)C1C=CC(=CC=1)OC1=CC2=C(C=C1)C(=O)N(C)C2=O"	"InChI=1S/C33H26N2O6/c1-33(2,19-5-9-21(10-6-19)40-23-13-15-25-27(17-23)31(38)34(3)29(25)36)20-7-11-22(12-8-20)41-24-14-16-26-28(18-24)32(39)35(4)30(26)37/h5-18H,1-4H3"	"QXYUOZCGMWHVJB-UHFFFAOYSA-N"	"?"
"110"	"2461-18-9"	"Dodecyl glycidyl ether"	"DTXSID0025494"	"CCCCCCCCCCCCOCC1CO1"	"InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15-14-17-15/h15H,2-14H2,1H3"	"VMSIYTPWZLSMOH-UHFFFAOYSA-N"	"?"
"111"	"69-09-0"	"Chlorpromazine hydrochloride"	"DTXSID7024827"	"CN(C)CCCN1C2C=CC=CC=2SC2C=CC(Cl)=CC1=2"	"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3"	"ZPEIMTDSQAKGNT-UHFFFAOYSA-N"	"Cl"
"112"	"124-40-3"	"Dimethylamine"	"DTXSID5024057"	"CNC"	"InChI=1S/C2H7N/c1-3-2/h3H,1-2H3"	"ROSDSFDQCJNGOL-UHFFFAOYSA-N"	"?"
"113"	"25366-23-8"	"Thiazafluron [BSI:ISO]"	"DTXSID20180010"	"CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F"	"InChI=1S/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)"	"BBJPZPLAZVZTGR-UHFFFAOYSA-N"	"?"
"114"	"202483-62-3"	"2-[(2-Hexyldecyl)oxy]benzamide"	"DTXSID50595916"	"CCCCCCC(COC1=CC=CC=C1C(N)=O)CCCCCCCC"	"InChI=1S/C23H39NO2/c1-3-5-7-9-10-12-16-20(15-11-8-6-4-2)19-26-22-18-14-13-17-21(22)23(24)25/h13-14,17-18,20H,3-12,15-16,19H2,1-2H3,(H2,24,25)"	"CMQJSECIJIYKFU-UHFFFAOYSA-N"	"?"
"115"	"78-27-3"	"1-Ethynylcyclohexanol"	"DTXSID0021757"	"C#CC1(O)CCCCC1"	"InChI=1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2"	"QYLFHLNFIHBCPR-UHFFFAOYSA-N"	"?"
"116"	"109-73-9"	"Butylamine"	"DTXSID1021904"	"CCCCN"	"InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3"	"HQABUPZFAYXKJW-UHFFFAOYSA-N"	"?"
"117"	"1187-42-4"	"Diaminomaleonitrile"	"DTXSID0024923"	"NC(C#N)C(=N)C#N"	"InChI=1S/C4H4N4/c5-1-3(7)4(8)2-6/h3,8H,7H2"	"KSKBELRNEVVKNG-UHFFFAOYSA-N"	"?"
"118"	"2524-04-1"	"O,O-Diethyl chlorothiophosphate"	"DTXSID5027487"	"CCOP(=S)(Cl)OCC"	"InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3"	"KMJJJTCKNZYTEY-UHFFFAOYSA-N"	"?"
"119"	"504-29-0"	"2-Aminopyridine"	"DTXSID0024505"	"NC1=CC=CC=N1"	"InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)"	"ICSNLGPSRYBMBD-UHFFFAOYSA-N"	"?"
"120"	"2244-21-5"	"Potassium dichloroisocyanurate"	"DTXSID5026178"	"OC1=NC(=O)N(Cl)C(=O)N1Cl"	"InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)"	"CEJLBZWIKQJOAT-UHFFFAOYSA-N"	"[K+]"
"121"	"34689-46-8"	"Phenol, methyl-, sodium salt"	"DTXSID5027984"	"CC1=CC=CC=C1O"	"InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3"	"QWVGKYWNOKOFNN-UHFFFAOYSA-N"	"[Na+]"
"122"	"27302-90-5"			"CS(=O)CC(=O)C1C=CC=CN=1"	"InChI=1S/C8H9NO2S/c1-12(11)6-8(10)7-4-2-3-5-9-7/h2-5H,6H2,1H3"	"DSWLRNLRVBAVFC-UHFFFAOYSA-N"	"?"
"123"	"109-65-9"	"1-Bromobutane"	"DTXSID6021903"	"CCCCBr"	"InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3"	"MPPPKRYCTPRNTB-UHFFFAOYSA-N"	"?"
"124"	"125-71-3"	"Dextromethorphan"	"DTXSID3022908"	"COC1C=CC2CC3C4CCCCC4(CCN3C)C=2C=1"	"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3"	"MKXZASYAUGDDCJ-UHFFFAOYSA-N"	"?"
"125"	"78-83-1"	"2-Methyl-1-propanol"	"DTXSID0021759"	"CC(C)CO"	"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3"	"ZXEKIIBDNHEJCQ-UHFFFAOYSA-N"	"?"
"126"	"766-05-2"	"Cyclohexanecarbonitrile"	"DTXSID30227400"	"N#CC1CCCCC1"	"InChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2"	"VBWIZSYFQSOUFQ-UHFFFAOYSA-N"	"?"
"127"	"60244-67-9"	"Phosphorothioic acid, O,O-bis(1-methylethyl) O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) ester"	"DTXSID30208991"	"COC1C(=O)N(C)N=CC=1OP(=S)(OC(C)C)OC(C)C"	"InChI=1S/C12H21N2O5PS/c1-8(2)17-20(21,18-9(3)4)19-10-7-13-14(5)12(15)11(10)16-6/h7-9H,1-6H3"	"KKUYISHLFNPUJT-UHFFFAOYSA-N"	"?"
"128"	"33878-52-3"			"CCOC(=O)C(C)NC1=CC(Cl)=C(Cl)C=C1"	"InChI=1S/C11H13Cl2NO2/c1-3-16-11(15)7(2)14-8-4-5-9(12)10(13)6-8/h4-7,14H,3H2,1-2H3"	"TUFYEVMTXRPQQK-UHFFFAOYSA-N"	"?"
"129"	"700-07-2"			"CNC1SN=C2C=CC=CC2=1"	"InChI=1S/C8H8N2S/c1-9-8-6-4-2-3-5-7(6)10-11-8/h2-5,9H,1H3"	"ARUJVDNZYGIUGB-UHFFFAOYSA-N"	"?"
"130"	"26248-99-7"			"O=C1N(Cl)C2C(N(Cl)C(=O)N2Cl)N1Cl"	"InChI=1S/C4H2Cl4N4O2/c5-9-1-2(11(7)3(9)13)12(8)4(14)10(1)6/h1-2H"	"TWVLNKKMSLYUQQ-UHFFFAOYSA-N"	"?"
"131"	"150-84-5"	"Citronellyl acetate"	"DTXSID5051739"	"CC(C)=CCCC(C)CCOC(C)=O"	"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3"	"JOZKFWLRHCDGJA-UHFFFAOYSA-N"	"?"
"132"	"2162-74-5"	"Bis(2,6-diisopropylphenyl)carbodiimide"	"DTXSID5051862"	"CC(C)C1C=CC=C(C(C)C)C=1N=C=NC1C(=CC=CC=1C(C)C)C(C)C"	"InChI=1S/C25H34N2/c1-16(2)20-11-9-12-21(17(3)4)24(20)26-15-27-25-22(18(5)6)13-10-14-23(25)19(7)8/h9-14,16-19H,1-8H3"	"XLDBGFGREOMWSL-UHFFFAOYSA-N"	"?"
"133"	"10140-81-5"			"CCCCOC(=O)CC(C(=O)OCCCC)P(=O)(OCCCC)OCCCC"	"InChI=1S/C20H39O7P/c1-5-9-13-24-19(21)17-18(20(22)25-14-10-6-2)28(23,26-15-11-7-3)27-16-12-8-4/h18H,5-17H2,1-4H3"	"GGOVRPUILUBRCW-UHFFFAOYSA-N"	"?"
"134"	"24699-40-9"	"Picoperine hydrochloride"	"DTXSID90179436"	"C(C1C=CC=CN=1)N(CCN1CCCCC1)C1C=CC=CC=1"	"InChI=1S/C19H25N3/c1-3-10-19(11-4-1)22(17-18-9-5-6-12-20-18)16-15-21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-17H2"	"MVMXJBMAGBRAHD-UHFFFAOYSA-N"	"Cl"
"135"	"86811-46-3"	"1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-[(2-carboxyphenoxy)carbonyl]phenyl ester"	"DTXSID7073694"	"CC1=C(CC(=O)OC2C=CC=CC=2C(=O)OC2C=CC=CC=2C(O)=O)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC"	"InChI=1S/C33H24ClNO8/c1-19-25(26-17-22(41-2)15-16-27(26)35(19)31(37)20-11-13-21(34)14-12-20)18-30(36)42-29-10-6-4-8-24(29)33(40)43-28-9-5-3-7-23(28)32(38)39/h3-17H,18H2,1-2H3,(H,38,39)"	"HSTCMJJFYYQQRG-UHFFFAOYSA-N"	"?"
"136"	"9004-64-2"	"Hydroxypropyl cellulose"	"DTXSID6044270"	"CC(O)COC1C(OCC(C)O)C(O)OC(COCC(C)O)C1O"	"InChI=1S/C15H30O9/c1-8(16)4-21-7-11-12(19)13(22-5-9(2)17)14(15(20)24-11)23-6-10(3)18/h8-20H,4-7H2,1-3H3"	"UJVWTHKJVRJAOZ-UHFFFAOYSA-N"	"?"
"137"	"92-06-8"	"1,1':3',1''-Terphenyl"	"DTXSID2029117"	"C1C(=CC=CC=1C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H"	"YJTKZCDBKVTVBY-UHFFFAOYSA-N"	"?"
"138"	"29547-00-0"	"Thiosultap-monosodium [ISO]"	"DTXSID90183730"	"CN(C)C(CSS(O)(=O)=O)CSS(O)(=O)=O"	"InChI=1S/C5H13NO6S4/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12)"	"PYNKFIVDSJSNGL-UHFFFAOYSA-N"	"[Na+]"
"139"	"101-63-3"	"1,1'-Oxybis(4-nitrobenzene)"	"DTXSID0026676"	"[O-][N+](=O)C1C=CC(=CC=1)OC1C=CC(=CC=1)[N+]([O-])=O"	"InChI=1S/C12H8N2O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H"	"MWAGUKZCDDRDCS-UHFFFAOYSA-N"	"?"
"140"	"118-71-8"	"Maltol"	"DTXSID0025523"	"CC1OC=CC(=O)C1=O"	"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-4H,1H3"	"HYMLWHLQFGRFIY-UHFFFAOYSA-N"	"?"
"141"	"59-14-3"	"5-Bromo-2'-deoxyuridine"	"DTXSID7033105"	"OC1CC(OC1CO)N1C=C(Br)C(=O)NC1=O"	"InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)"	"WOVKYSAHUYNSMH-UHFFFAOYSA-N"	"?"
"142"	"123-77-3"	"Azodicarbonamide"	"DTXSID0024553"	"NC(=O)N=NC(N)=O"	"InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)"	"XOZUGNYVDXMRKW-UHFFFAOYSA-N"	"?"
"143"	"19224-26-1"	"1,2-Propanediol, dibenzoate"	"DTXSID0027802"	"CC(COC(=O)C1C=CC=CC=1)OC(=O)C1C=CC=CC=1"	"InChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3"	"UMVMVEZHMZTUHD-UHFFFAOYSA-N"	"?"
"144"	"7487-28-7"			"CC1(COCC2(C)CO2)CO1"	"InChI=1S/C8H14O3/c1-7(5-10-7)3-9-4-8(2)6-11-8/h3-6H2,1-2H3"	"FPFZKFZYQYTAHO-UHFFFAOYSA-N"	"?"
"145"	"54395-36-7"	"1H-Isoindole-1,3(2H)-dione, 2-butyl-4-nitro-"	"DTXSID9073549"	"CCCCN1C(=O)C2C=CC=C(C=2C1=O)[N+]([O-])=O"	"InChI=1S/C12H12N2O4/c1-2-3-7-13-11(15)8-5-4-6-9(14(17)18)10(8)12(13)16/h4-6H,2-3,7H2,1H3"	"OLOUZLFUNQCQEA-UHFFFAOYSA-N"	"?"
"146"	"372-31-6"	"Ethyl 4,4,4-trifluoroacetoacetate"	"DTXSID5059905"	"CCOC(=O)CC(=O)C(F)(F)F"	"InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3"	"OCJKUQIPRNZDTK-UHFFFAOYSA-N"	"?"
"147"	"135810-36-5"			"N#CN=c1cccc[n]1CC1=C(Cl)C=CC=C1Cl"	"InChI=1S/C13H9Cl2N3/c14-11-4-3-5-12(15)10(11)8-18-7-2-1-6-13(18)17-9-16/h1-7H,8H2"	"HJSRHJLZFYUICE-UHFFFAOYSA-N"	"?"
"148"	"620-92-8"	"Bis(4-hydroxyphenyl)methane"	"DTXSID9022445"	"OC1C=CC(CC2C=CC(O)=CC=2)=CC=1"	"InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2"	"PXKLMJQFEQBVLD-UHFFFAOYSA-N"	"?"
"149"	"71-58-9"	"Medroxyprogesterone acetate"	"DTXSID0025527"	"CC1CC2C(CCC3(C)C2CCC3(OC(C)=O)C(C)=O)C2(C)CCC(=O)C=C21"	"InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3"	"PSGAAPLEWMOORI-UHFFFAOYSA-N"	"?"
"150"	"63867-17-4"	"Butyric acid, 2-ethyl-, 2,2,2-tribromoethyl ester"	"DTXSID10213301"	"CCC(CC)C(=O)OCC(Br)(Br)Br"	"InChI=1S/C8H13Br3O2/c1-3-6(4-2)7(12)13-5-8(9,10)11/h6H,3-5H2,1-2H3"	"KRTPZDITOONUEW-UHFFFAOYSA-N"	"?"
"151"	"61898-95-1"	"Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, methyl ester"	"DTXSID0028113"	"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC"	"InChI=1S/C9H12Cl2O2/c1-9(2)5(4-6(10)11)7(9)8(12)13-3/h4-5,7H,1-3H3"	"QJOOIMSFFIUFKX-UHFFFAOYSA-N"	"?"
"152"	"2052-14-4"	"Butyl salicylate"	"DTXSID8062153"	"CCCCOC(=O)C1=CC=CC=C1O"	"InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3"	"YFDUWSBGVPBWKF-UHFFFAOYSA-N"	"?"
"153"	"147-47-7"	"1,2-Dihydro-2,2,4-trimethylquinoline"	"DTXSID0025070"	"CC1=CC(C)(C)NC2C=CC=CC1=2"	"InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3"	"ZNRLMGFXSPUZNR-UHFFFAOYSA-N"	"?"
"154"	"13413-40-6"			"CP(=S)(OP(C)(=S)SCCC)SCCC"	"InChI=1S/C8H20OP2S4/c1-5-7-14-10(3,12)9-11(4,13)15-8-6-2/h5-8H2,1-4H3"	"CQTQMQWOMRUBPN-UHFFFAOYSA-N"	"?"
"155"	"6145-73-9"	"Tris(2-chloropropyl) phosphate"	"DTXSID3027615"	"CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl"	"InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3"	"GTRSAMFYSUBAGN-UHFFFAOYSA-N"	"?"
"156"	"4949-85-3"	"Thiourea, (2,5-dichlorophenyl)- (9CI)"	"DTXSID80197801"	"NC(=S)NC1C=C(Cl)C=CC=1Cl"	"InChI=1S/C7H6Cl2N2S/c8-4-1-2-5(9)6(3-4)11-7(10)12/h1-3H,(H3,10,11,12)"	"UQCOANNCPUOZNW-UHFFFAOYSA-N"	"?"
"157"	"1122-54-9"	"4-Acetylpyridine"	"DTXSID0022147"	"CC(=O)C1C=CN=CC=1"	"InChI=1S/C7H7NO/c1-6(9)7-2-4-8-5-3-7/h2-5H,1H3"	"WMQUKDQWMMOHSA-UHFFFAOYSA-N"	"?"
"158"	"110263-73-5"			"CCCCCCCCCOC(=O)C1=CN=CC(C1C1C=CC=CC=1[N+]([O-])=O)C(=O)NC1CCCC1"	"InChI=1S/C27H37N3O5/c1-2-3-4-5-6-7-12-17-35-27(32)23-19-28-18-22(26(31)29-20-13-8-9-14-20)25(23)21-15-10-11-16-24(21)30(33)34/h10-11,15-16,18-20,22,25H,2-9,12-14,17H2,1H3,(H,29,31)"	"OTCFAFDZOJPDIL-UHFFFAOYSA-N"	"?"
"159"	"90-51-7"	"6-Amino-4-hydroxynaphthalene-2-sulfonic acid"	"DTXSID0026547"	"NC1=CC2=C(C=C1)C=C(C=C2O)S(O)(=O)=O"	"InChI=1S/C10H9NO4S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,12H,11H2,(H,13,14,15)"	"HBZVNWNSRNTWPS-UHFFFAOYSA-N"	"?"
"160"	"4549-43-3"	"N-Nitroso-N-methylallylamine"	"DTXSID90196527"	"CN(CC=C)N=O"	"InChI=1S/C4H8N2O/c1-3-4-6(2)5-7/h3H,1,4H2,2H3"	"OWSNZTOUPZXKPJ-UHFFFAOYSA-N"	"?"
"161"	"749-13-3"	"Trifluperidol"	"DTXSID4023703"	"OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC=C(C=1)C(F)(F)F"	"InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2"	"GPMXUUPHFNMNDH-UHFFFAOYSA-N"	"?"
"162"	"592-51-8"	"4-Pentenenitrile"	"DTXSID0027228"	"C=CCCC#N"	"InChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2"	"CFEYBLWMNFZOPB-UHFFFAOYSA-N"	"?"
"163"	"3261-53-8"	"Gitaloxin"	"DTXSID10186304"	"CC12CCC(CC1CCC1C2CCC2(C)C(C(CC21O)OC=O)C1COC(=O)C=1)OC1CC(O)C(OC2CC(O)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C(C)O1"	"InChI=1S/C42H64O15/c1-20-37(48)28(44)14-34(52-20)56-39-22(3)54-35(16-30(39)46)57-38-21(2)53-33(15-29(38)45)55-25-8-10-40(4)24(13-25)6-7-27-26(40)9-11-41(5)36(23-12-32(47)50-18-23)31(51-19-43)17-42(27,41)49/h12,19-22,24-31,33-39,44-46,48-49H,6-11,13-18H2,1-5H3"	"GZZJHPZDXZCDDA-UHFFFAOYSA-N"	"?"
"164"	"67-20-9"	"Nitrofurantoin"	"DTXSID7020972"	"[O-][N+](=O)C1=CC=C(C=NN2CC(=O)NC2=O)O1"	"InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)"	"NXFQHRVNIOXGAQ-UHFFFAOYSA-N"	"?"
"165"	"58-94-6"	"Chlorothiazide"	"DTXSID0022800"	"NS(=O)(=O)C1=CC2=C(C=C1Cl)N=CNS2(=O)=O"	"InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)"	"JBMKAUGHUNFTOL-UHFFFAOYSA-N"	"?"
"166"	"23255-69-8"	"Fusarenon-X"	"DTXSID1020649"	"CC12C(OC(C)=O)C(O)C(OC3C=C(C)C(=O)C(O)C13CO)C12CO1"	"InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3"	"XGCUCFKWVIWWNW-UHFFFAOYSA-N"	"?"
"167"	"515-83-3"	"Ethanol, 2,2,2-trichloro-1-ethoxy-"	"DTXSID90870577"	"CCOC(O)C(Cl)(Cl)Cl"	"InChI=1S/C4H7Cl3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3"	"DLHWKJDYXPNWAI-UHFFFAOYSA-N"	"?"
"168"	"56-75-7"	"Chloramphenicol"	"DTXSID7020265"	"[O-][N+](=O)C1C=CC(=CC=1)C(O)C(CO)NC(=O)C(Cl)Cl"	"InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)"	"WIIZWVCIJKGZOK-UHFFFAOYSA-N"	"?"
"169"	"111-71-7"	"Heptanal"	"DTXSID0021597"	"CCCCCCC=O"	"InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3"	"FXHGMKSSBGDXIY-UHFFFAOYSA-N"	"?"
"170"	"106498-99-1"			"CCC1(CO)CCCN2CCC3C4C=CC=CC=4NC=3C12"	"InChI=1S/C18H24N2O/c1-2-18(12-21)9-5-10-20-11-8-14-13-6-3-4-7-15(13)19-16(14)17(18)20/h3-4,6-7,17,19,21H,2,5,8-12H2,1H3"	"BKRBRZLECKMEBD-UHFFFAOYSA-N"	"?"
"171"	"120-93-4"	"Ethylene urea"	"DTXSID0020602"	"O=C1NCCN1"	"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)"	"YAMHXTCMCPHKLN-UHFFFAOYSA-N"	"?"
"172"	"2052-07-5"	"2-Bromobiphenyl"	"DTXSID0024638"	"BrC1C=CC=CC=1C1C=CC=CC=1"	"InChI=1S/C12H9Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H"	"KTADSLDAUJLZGL-UHFFFAOYSA-N"	"?"
"173"	"632-68-8"	"C.I.Acid Red 94"	"DTXSID00110057"	"OC1=C(I)C2OC3=C(C=C(I)C(O)=C3I)C3(OC(=O)C4C3=C(Cl)C(Cl)=C(Cl)C=4Cl)C=2C=C1I"	"InChI=1S/C20H4Cl4I4O5/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28/h1-2,29-30H"	"IICCLYANAQEHCI-UHFFFAOYSA-N"	"[K+].[K+]"
"174"	"19355-69-2"	"2-Amino-2-methylpropionitrile"	"DTXSID0027804"	"CC(C)(N)C#N"	"InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3"	"JQULXIOYDDCNGR-UHFFFAOYSA-N"	"?"
"175"	"24268-87-9"			"CN(C)CC[n]1c2ccccc2c(=O)c2c1cccc2[N+]([O-])=O"	"InChI=1S/C17H17N3O3/c1-18(2)10-11-19-13-7-4-3-6-12(13)17(21)16-14(19)8-5-9-15(16)20(22)23/h3-9H,10-11H2,1-2H3"	"WSJXSQRWIUPYMV-UHFFFAOYSA-N"	"[Cl-]"
"176"	"66232-29-9"	"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, hexadecyl ester"	"DTXSID50216432"	"CCCCCCCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl"	"InChI=1S/C28H47Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-33-28(32)25-26-16-18-27(19-17-26)31(22-20-29)23-21-30/h16-19H,2-15,20-25H2,1H3"	"ZWDBEIUHQWOPQY-UHFFFAOYSA-N"	"?"
"177"	"59607-71-5"	"Thiocyanic acid, 4-methoxy-2-nitrophenyl ester"	"DTXSID5069338"	"COC1=CC(=C(C=C1)SC#N)[N+]([O-])=O"	"InChI=1S/C8H6N2O3S/c1-13-6-2-3-8(14-5-9)7(4-6)10(11)12/h2-4H,1H3"	"NZBABHFYCIWRBJ-UHFFFAOYSA-N"	"?"
"178"	"16325-47-6"	"Ammonium methacrylate"	"DTXSID0023874"	"CC(=C)C(O)=O"	"InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)"	"CERQOIWHTDAKMF-UHFFFAOYSA-N"	"[NH4+]"
"179"	"93-72-1"	"2-(2,4,5-Trichlorophenoxy)propionic acid"	"DTXSID0021387"	"CC(OC1C=C(Cl)C(Cl)=CC=1Cl)C(O)=O"	"InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)"	"ZLSWBLPERHFHIS-UHFFFAOYSA-N"	"?"
"180"	"10080-80-5"			"CN(OC)C(=O)CC(SP(=S)(OC)OC)C(=O)N(C)OC"	"InChI=1S/C10H21N2O6PS2/c1-11(15-3)9(13)7-8(10(14)12(2)16-4)21-19(20,17-5)18-6/h8H,7H2,1-6H3"	"LNICFUYFCDFXLP-UHFFFAOYSA-N"	"?"
"181"	"3853-61-0"	"ENT 25868"	"DTXSID70191858"	"COP(=S)(OC)SCSCCOC(N)=O"	"InChI=1S/C6H14NO4PS3/c1-9-12(13,10-2)15-5-14-4-3-11-6(7)8/h3-5H2,1-2H3,(H2,7,8)"	"UVUWCTMVUUPDDF-UHFFFAOYSA-N"	"?"
"182"	"299-85-4"	"Zytron"	"DTXSID1058052"	"COP(=S)(NC(C)C)OC1=CC=C(Cl)C=C1Cl"	"InChI=1S/C10H14Cl2NO2PS/c1-7(2)13-16(17,14-3)15-10-5-4-8(11)6-9(10)12/h4-7H,1-3H3,(H,13,17)"	"PJFGPJQBWSEWKX-UHFFFAOYSA-N"	"?"
"183"	"101-34-8"	"9-Octadecenoic acid, 12-(acetyloxy)-, 1,2,3-propanetriyl ester, (9Z,9'Z,9''Z,12R,12'R,12''R)-"	"DTXSID0026674"	"CC(=O)OC(CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC(CCCCCC)OC(C)=O)COC(=O)CCCCCCCC=CCC(CCCCCC)OC(C)=O)CCCCCC"	"InChI=1S/C63H110O12/c1-7-10-13-34-43-57(72-54(4)64)46-37-28-22-16-19-25-31-40-49-61(67)70-52-60(75-63(69)51-42-33-27-21-18-24-30-39-48-59(74-56(6)66)45-36-15-12-9-3)53-71-62(68)50-41-32-26-20-17-23-29-38-47-58(73-55(5)65)44-35-14-11-8-2/h28-30,37-39,57-60H,7-27,31-36,40-53H2,1-6H3"	"RIXCYAQOGLLEIU-UHFFFAOYSA-N"	"?"
"184"	"7680-73-1"			"C[N+]1C=CC=CC=1"	"InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1"	"PQBAWAQIRZIWIV-UHFFFAOYSA-N"	"[Cl-]"
"185"	"87818-31-3"	"Cinmethylin"	"DTXSID3034456"	"CC12CCC(CC1OCC1=CC=CC=C1C)(O2)C(C)C"	"InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3"	"QMTNOLKHSWIQBE-UHFFFAOYSA-N"	"?"
"186"	"1616-88-2"	"2-Methoxyethyl carbamate"	"DTXSID2051766"	"COCCOC(N)=O"	"InChI=1S/C4H9NO3/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H2,5,6)"	"QAQJKDRAJZWQCM-UHFFFAOYSA-N"	"?"
"187"	"621-33-0"	"3-Ethoxyaniline"	"DTXSID0025862"	"CCOC1C=C(N)C=CC=1"	"InChI=1S/C8H11NO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3"	"WEZAHYDFZNTGKE-UHFFFAOYSA-N"	"?"
"188"	"35203-08-8"	"Benzenamine, 2,6-diethyl-N-methylene-"	"DTXSID0027987"	"CCC1=CC=CC(CC)=C1N=C"	"InChI=1S/C11H15N/c1-4-9-7-6-8-10(5-2)11(9)12-3/h6-8H,3-5H2,1-2H3"	"ZMBSRNHDTFKMLI-UHFFFAOYSA-N"	"?"
"189"	"637-92-3"	"2-Methyl-2-ethoxypropane"	"DTXSID0025604"	"CCOC(C)(C)C"	"InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3"	"NUMQCACRALPSHD-UHFFFAOYSA-N"	"?"
"190"	"50-18-0"	"Cyclophosphamide"	"DTXSID5020364"	"O=P1(NCCCO1)N(CCCl)CCCl"	"InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)"	"CMSMOCZEIVJLDB-UHFFFAOYSA-N"	"?"
"191"	"3318-43-2"	"Indol-3-yl sodium phosphate"	"DTXSID0025442"	"OP(O)(=O)OC1=CNC2=CC=CC=C12"	"InChI=1S/C8H8NO4P/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H2,10,11,12)"	"JTNGEYANGCBZLK-UHFFFAOYSA-N"	"[Na+].[Na+]"
"192"	"5578-73-4"			"C[N+]1C=C2C3OCOC=3C=CC2=C2C=CC3C=C4OCOC4=CC=3C=12"	"InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1"	"INVGWHRKADIJHF-UHFFFAOYSA-N"	"[Cl-]"
"193"	"99793-38-1"	"1H-1,2,4-Triazole, 1,5-bis(4-chlorophenyl)-3-(methylthio)-"	"DTXSID10244251"	"CSC1N=C(C2C=CC(Cl)=CC=2)N(N=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C15H11Cl2N3S/c1-21-15-18-14(10-2-4-11(16)5-3-10)20(19-15)13-8-6-12(17)7-9-13/h2-9H,1H3"	"MSDUUOVVVOVKAY-UHFFFAOYSA-N"	"?"
"194"	"80830-42-8"	"Rentiapril"	"DTXSID80230646"	"OC(=O)C1CSC(C2=CC=CC=C2O)N1C(=O)CCS"	"InChI=1S/C13H15NO4S2/c15-10-4-2-1-3-8(10)12-14(11(16)5-6-19)9(7-20-12)13(17)18/h1-4,9,12,15,19H,5-7H2,(H,17,18)"	"BSHDUMDXSRLRBI-UHFFFAOYSA-N"	"?"
"195"	"5286-73-7"			"CCS(=O)CCOP(=S)(OCC)OCC"	"InChI=1S/C8H19O4PS2/c1-4-10-13(14,11-5-2)12-7-8-15(9)6-3/h4-8H2,1-3H3"	"HTXJPMPQYXHDOR-UHFFFAOYSA-N"	"?"
"196"	"1002-89-7"	"Octadecanoic acid, ammonium salt"	"DTXSID0027353"	"CCCCCCCCCCCCCCCCCC(O)=O"	"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)"	"QIQXTHQIDYTFRH-UHFFFAOYSA-N"	"[NH4+]"
"197"	"1740-19-8"	"Dehydroabietic acid"	"DTXSID8022163"	"CC(C)C1C=CC2=C(CCC3C(C)(CCCC23C)C(O)=O)C=1"	"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)"	"NFWKVWVWBFBAOV-UHFFFAOYSA-N"	"?"
"198"	"111729-41-0"	"Methanimidamide, N,N''-[6-(diethylamino)-1,3,5-triazine-2,4-diyl]bis[N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-"	"DTXSID5073799"	"CC1(C)CC(CC(C)(C)N1)N=CN(C1CC(C)(C)NC(C)(C)C1)C1=NC(=NC(=N1)N(C=NC1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1)N(CC)CC"	"InChI=1S/C45H84N12/c1-19-55(20-2)35-48-36(56(33-25-42(11,12)53-43(13,14)26-33)29-46-31-21-38(3,4)51-39(5,6)22-31)50-37(49-35)57(34-27-44(15,16)54-45(17,18)28-34)30-47-32-23-40(7,8)52-41(9,10)24-32/h29-34,51-54H,19-28H2,1-18H3"	"JZVDGAMNKMBSCN-UHFFFAOYSA-N"	"?"
"199"	"14557-50-7"			"CCOC(=O)C(CCN(CC)CC)(CC=C)C1C=CC=CC=1"	"InChI=1S/C19H29NO2/c1-5-14-19(18(21)22-8-4,15-16-20(6-2)7-3)17-12-10-9-11-13-17/h5,9-13H,1,6-8,14-16H2,2-4H3"	"QSZYQIVLOSDTSM-UHFFFAOYSA-N"	"?"
"200"	"999-21-3"	"Diprop-2-en-1-yl (2Z)-but-2-enedioate"	"DTXSID3044752"	"C=CCOC(=O)C=CC(=O)OCC=C"	"InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2"	"ZPOLOEWJWXZUSP-UHFFFAOYSA-N"	"?"
"201"	"107-98-2"	"1-Methoxy-2-propanol"	"DTXSID8024284"	"COCC(C)O"	"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3"	"ARXJGSRGQADJSQ-UHFFFAOYSA-N"	"?"
"202"	"693-21-0"	"Diethylene glycol dinitrate"	"DTXSID1024047"	"[O-][N+](=O)OCCOCCO[N+]([O-])=O"	"InChI=1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2"	"LYAGTVMJGHTIDH-UHFFFAOYSA-N"	"?"
"203"	"764-48-7"	"Ethylene glycol monovinyl ether"	"DTXSID4075457"	"C=COCCO"	"InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2"	"VUIWJRYTWUGOOF-UHFFFAOYSA-N"	"?"
"204"	"99-07-0"	"3-Dimethylaminophenol"	"DTXSID0025101"	"CN(C)C1C=C(O)C=CC=1"	"InChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3"	"MESJRHHDBDCQTH-UHFFFAOYSA-N"	"?"
"205"	"27676-62-6"	"1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-"	"DTXSID0027935"	"CC(C)(C)C1=CC(CN2C(=O)N(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C(=O)N(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C2=O)=CC(=C1O)C(C)(C)C"	"InChI=1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3"	"VNQNXQYZMPJLQX-UHFFFAOYSA-N"	"?"
"206"	"105-39-5"	"Ethyl chloroacetate"	"DTXSID4026715"	"CCOC(=O)CCl"	"InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3"	"VEUUMBGHMNQHGO-UHFFFAOYSA-N"	"?"
"207"	"585-86-4"	"Lactitol"	"DTXSID9044247"	"OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)CO"	"InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2"	"VQHSOMBJVWLPSR-UHFFFAOYSA-N"	"?"
"208"	"51122-73-7"	"N-Ethyl-1,2-bis(isobutylthiolcarbamoyl)ethane"	"DTXSID80199143"	"CCN(CCNC(=O)SCC(C)C)C(=O)SCC(C)C"	"InChI=1S/C14H28N2O2S2/c1-6-16(14(18)20-10-12(4)5)8-7-15-13(17)19-9-11(2)3/h11-12H,6-10H2,1-5H3,(H,15,17)"	"PCNVGFGGUCULPT-UHFFFAOYSA-N"	"?"
"209"	"94361-06-5"	"Cyproconazole"	"DTXSID0032601"	"CC(C1CC1)C(O)(CN1C=NC=N1)C1C=CC(Cl)=CC=1"	"InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3"	"UFNOUKDBUJZYDE-UHFFFAOYSA-N"	"?"
"210"	"32449-92-6"	"D-Glucuronolactone"	"DTXSID6041844"	"OC1OC2C(OC(=O)C2O)C1O"	"InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H"	"OGLCQHRZUSEXNB-UHFFFAOYSA-N"	"?"
"211"	"21498-08-8"	"Lofexidine hydrochloride"	"DTXSID0020781"	"CC(OC1C(Cl)=CC=CC=1Cl)C1NCCN=1"	"InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)"	"KSMAGQUYOIHWFS-UHFFFAOYSA-N"	"Cl"
"212"	"19406-86-1"	"3-Amino-4-methylbenzamide"	"DTXSID9044407"	"CC1C=CC(=CC=1N)C(N)=O"	"InChI=1S/C8H10N2O/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H2,10,11)"	"VYBKAZXQKUFAHG-UHFFFAOYSA-N"	"?"
"213"	"637-07-0"	"Clofibrate"	"DTXSID3020336"	"CC(C)(OC1C=CC(Cl)=CC=1)C(=O)OCC"	"InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3"	"KNHUKKLJHYUCFP-UHFFFAOYSA-N"	"?"
"214"	"90-80-2"	"Gluconolactone"	"DTXSID0026549"	"OCC1OC(=O)C(O)C(O)C1O"	"InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2"	"PHOQVHQSTUBQQK-UHFFFAOYSA-N"	"?"
"215"	"3006-82-4"	"Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester"	"DTXSID0027511"	"CCCCC(CC)C(=O)OOC(C)(C)C"	"InChI=1S/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3"	"WYKYCHHWIJXDAO-UHFFFAOYSA-N"	"?"
"216"	"3671-00-9"			"CN1CC(CC1)C1=CNC2=CC=CC=C12"	"InChI=1S/C13H16N2/c1-15-7-6-10(9-15)12-8-14-13-5-3-2-4-11(12)13/h2-5,8,10,14H,6-7,9H2,1H3"	"GIUCRWSFDBHBDT-UHFFFAOYSA-N"	"?"
"217"	"563-80-4"	"3-Methyl-2-butanone"	"DTXSID0022062"	"CC(C)C(C)=O"	"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3"	"SYBYTAAJFKOIEJ-UHFFFAOYSA-N"	"?"
"218"	"10540-29-1"	"Tamoxifen"	"DTXSID1034187"	"CCC(=C(C1C=CC=CC=1)C1C=CC(=CC=1)OCCN(C)C)C1C=CC=CC=1"	"InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3"	"NKANXQFJJICGDU-UHFFFAOYSA-N"	"?"
"219"	"68-11-1"	"Thioglycolic acid"	"DTXSID8026141"	"OC(=O)CS"	"InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)"	"CWERGRDVMFNCDR-UHFFFAOYSA-N"	"?"
"220"	"7070-63-5"	"Carbamic acid, methyl-, o-(m-dioxan-2-yl)phenyl ester"	"DTXSID60220969"	"CNC(=O)OC1=CC=CC=C1C1OCCCO1"	"InChI=1S/C12H15NO4/c1-13-12(14)17-10-6-3-2-5-9(10)11-15-7-4-8-16-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,13,14)"	"RFZWBUUMFOZYDG-UHFFFAOYSA-N"	"?"
"221"	"88-73-3"	"1-Chloro-2-nitrobenzene"	"DTXSID0020280"	"[O-][N+](=O)C1C=CC=CC=1Cl"	"InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H"	"BFCFYVKQTRLZHA-UHFFFAOYSA-N"	"?"
"222"	"108-29-2"	"4-Pentanolide"	"DTXSID0047618"	"CC1CCC(=O)O1"	"InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3"	"GAEKPEKOJKCEMS-UHFFFAOYSA-N"	"?"
"223"	"7409-44-1"	"Ethanol, 2-(heptyloxy)-"	"DTXSID10224997"	"CCCCCCCOCCO"	"InChI=1S/C9H20O2/c1-2-3-4-5-6-8-11-9-7-10/h10H,2-9H2,1H3"	"QJTOHHRPYAVWOO-UHFFFAOYSA-N"	"?"
"224"	"10081-67-1"	"4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline"	"DTXSID0027721"	"CC(C)(C1C=CC(=CC=1)NC1C=CC(=CC=1)C(C)(C)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C30H31N/c1-29(2,23-11-7-5-8-12-23)25-15-19-27(20-16-25)31-28-21-17-26(18-22-28)30(3,4)24-13-9-6-10-14-24/h5-22,31H,1-4H3"	"UJAWGGOCYUPCPS-UHFFFAOYSA-N"	"?"
"225"	"608-25-3"	"2-Methyl-1,3-benzenediol"	"DTXSID0025571"	"CC1C(O)=CC=CC=1O"	"InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3"	"ZTMADXFOCUXMJE-UHFFFAOYSA-N"	"?"
"226"	"6577-41-9"	"Oxapium iodide"	"DTXSID6046925"	"C[N+]1(CC2COC(O2)(C2CCCCC2)C2C=CC=CC=2)CCCCC1"	"InChI=1S/C22H34NO2/c1-23(15-9-4-10-16-23)17-21-18-24-22(25-21,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2,5-6,11-12,20-21H,3-4,7-10,13-18H2,1H3/q+1"	"AXWZZEWIGNYBGA-UHFFFAOYSA-N"	"[I-]"
"227"	"64057-90-5"			"NC1C=CC=C2C=1NC1CCCCC=12"	"InChI=1S/C12H14N2/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h3,5-6,14H,1-2,4,7,13H2"	"XRVPYLJMIRUIJU-UHFFFAOYSA-N"	"[Cl-]"
"228"	"1020-76-4"			"NC1=NN=C(C=CC2=CC=C(O2)[N+]([O-])=O)S1"	"InChI=1S/C8H6N4O3S/c9-8-11-10-6(16-8)3-1-5-2-4-7(15-5)12(13)14/h1-4H,(H2,9,11)"	"MGNMUKBSXWSYGL-UHFFFAOYSA-N"	"?"
"229"	"132-35-4"	"Proxazole citrate"	"DTXSID5048760"	"CCC(C1N=C(CCN(CC)CC)ON=1)C1C=CC=CC=1"	"InChI=1S/C17H25N3O/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3"	"OLTAWOVKGWWERU-UHFFFAOYSA-N"	"C(C(O)=O)(CC(O)=O)(O)CC(=O)O"
"230"	"10138-89-3"			"CC(CC(OC)OC)OC"	"InChI=1S/C7H16O3/c1-6(8-2)5-7(9-3)10-4/h6-7H,5H2,1-4H3"	"OMAKZNALRADTRX-UHFFFAOYSA-N"	"?"
"231"	"78-95-5"	"1-Chloropropan-2-one"	"DTXSID0021547"	"CC(=O)CCl"	"InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3"	"BULLHNJGPPOUOX-UHFFFAOYSA-N"	"?"
"232"	"163802-53-7"	"2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-"	"DTXSID30889042"	"CC=CC=CC(=O)OCCC[Si](OC)(OC)OC"	"InChI=1S/C12H22O5Si/c1-5-6-7-9-12(13)17-10-8-11-18(14-2,15-3)16-4/h5-7,9H,8,10-11H2,1-4H3"	"BEEJHAQLEWGNOO-UHFFFAOYSA-N"	"?"
"233"	"13021-50-6"			"CC(C)OCC(O)COCC"	"InChI=1S/C8H18O3/c1-4-10-5-8(9)6-11-7(2)3/h7-9H,4-6H2,1-3H3"	"ZATQNAGGARBGCM-UHFFFAOYSA-N"	"?"
"234"	"1001354-72-8"	"4-Octanol, 3-amino-"	"DTXSID80889259"	"CCC(N)C(O)CCCC"	"InChI=1S/C8H19NO/c1-3-5-6-8(10)7(9)4-2/h7-8,10H,3-6,9H2,1-2H3"	"AHZILZSKKSPIKM-UHFFFAOYSA-N"	"?"
"235"	"541-73-1"	"1,3-Dichlorobenzene"	"DTXSID6022056"	"ClC1=CC(Cl)=CC=C1"	"InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H"	"ZPQOPVIELGIULI-UHFFFAOYSA-N"	"?"
"236"	"34643-12-4"			"CC1C=CC(OC2C=CC(=CC=2Cl)C(C)CC)=C(CC(O)=O)C=1"	"InChI=1S/C19H21ClO3/c1-4-13(3)14-6-8-18(16(20)10-14)23-17-7-5-12(2)9-15(17)11-19(21)22/h5-10,13H,4,11H2,1-3H3,(H,21,22)"	"GXEMWUSHSIBTJU-UHFFFAOYSA-N"	"?"
"237"	"1192-28-5"	"Cyclopentanone oxime"	"DTXSID0020363"	"O=NC1CCCC1"	"InChI=1S/C5H9NO/c7-6-5-3-1-2-4-5/h5H,1-4H2"	"VGUWNAQRECZTED-UHFFFAOYSA-N"	"?"
"238"	"63980-89-2"	"Phosphorothioic acid, O-ethyl S-(4-methylphenyl) ester (9CI)"	"DTXSID60213871"	"CC1C=CC(=CC=1)SP(O)(=O)OCC"	"InChI=1S/C9H13O3PS/c1-3-12-13(10,11)14-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,10,11)"	"PPAVHHVBWSUYDY-UHFFFAOYSA-N"	"?"
"239"	"868-85-9"	"Dimethyl hydrogen phosphite"	"DTXSID5020493"	"COP(=O)OC"	"InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3"	"HZCDANOFLILNSA-UHFFFAOYSA-N"	"?"
"240"	"629-08-3"	"Heptanenitrile"	"DTXSID0021599"	"CCCCCCC#N"	"InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3"	"SDAXRHHPNYTELL-UHFFFAOYSA-N"	"?"
"241"	"27704-53-6"			"CCOP(=O)(OC(C1C=CC(Cl)=CC=1Cl)=C(Cl)Cl)OCC"	"InChI=1S/C12H13Cl4O4P/c1-3-18-21(17,19-4-2)20-11(12(15)16)9-6-5-8(13)7-10(9)14/h5-7H,3-4H2,1-2H3"	"NSBQHHQVAOJUSV-UHFFFAOYSA-N"	"?"
"242"	"6476-37-5"	"Phosphine, dicyclohexylphenyl-"	"DTXSID0073372"	"C1CCCCC1P(C1CCCCC1)C1C=CC=CC=1"	"InChI=1S/C18H27P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2"	"VPLLTGLLUHLIHA-UHFFFAOYSA-N"	"?"
"243"	"10592-13-9"	"Doxycycline hydrochloride"	"DTXSID1045405"	"CC1C2C(O)C3C(C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C2C(=O)C2=C1C=CC=C2O)N(C)C"	"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)"	"JBIWCJUYHHGXTC-UHFFFAOYSA-N"	"Cl"
"244"	"62-68-0"	"Proadifen hydrochloride"	"DTXSID1045792"	"CCCC(C(=O)OCCN(CC)CC)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3"	"SNTQPLDRUZOSDP-UHFFFAOYSA-N"	"Cl"
"245"	"2598-99-4"	"Octadecyl hexadecanoate"	"DTXSID0026048"	"CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC"	"InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-33H2,1-2H3"	"BILPUZXRUDPOOF-UHFFFAOYSA-N"	"?"
"246"	"1117-37-9"			"CCOC(=O)C=CN(C)C"	"InChI=1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3"	"MVUMJYQUKKUOHO-UHFFFAOYSA-N"	"?"
"247"	"532-03-6"	"Methocarbamol"	"DTXSID6023286"	"COC1=CC=CC=C1OCC(O)COC(N)=O"	"InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)"	"GNXFOGHNGIVQEH-UHFFFAOYSA-N"	"?"
"248"	"1113-04-8"			"CC[N+](C)(C)CCO"	"InChI=1S/C6H16NO/c1-4-7(2,3)5-6-8/h8H,4-6H2,1-3H3/q+1"	"VKHSBLZDXXEWNM-UHFFFAOYSA-N"	"?"
"249"	"2767-80-8"	"Methanol, phosphinidynetris-"	"DTXSID0062634"	"OCP(CO)CO"	"InChI=1S/C3H9O3P/c4-1-7(2-5)3-6/h4-6H,1-3H2"	"JMXMXKRNIYCNRV-UHFFFAOYSA-N"	"?"
"250"	"39515-40-7"	"Cyphenothrin"	"DTXSID4032536"	"CC(C)=CC1C(C(=O)OC(C#N)C2C=CC=C(C=2)OC2C=CC=CC=2)C1(C)C"	"InChI=1S/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3"	"FJDPATXIBIBRIM-UHFFFAOYSA-N"	"?"
"251"	"1080-32-6"	"Diethyl benzylphosphonate"	"DTXSID0022145"	"CCOP(=O)(CC1C=CC=CC=1)OCC"	"InChI=1S/C11H17O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3"	"AIPRAPZUGUTQKX-UHFFFAOYSA-N"	"?"
"252"	"3717-88-2"	"Flavoxate hydrochloride"	"DTXSID1047784"	"CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1C=CC=CC=1"	"InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3"	"SPIUTQOUKAMGCX-UHFFFAOYSA-N"	"Cl"
"253"	"554-84-7"	"3-Nitrophenol"	"DTXSID2025765"	"[O-][N+](=O)C1C=CC=C(O)C=1"	"InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H"	"RTZZCYNQPHTPPL-UHFFFAOYSA-N"	"?"
"254"	"141-98-0"	"Carbamothioic acid, ethyl-, O-(1-methylethyl) ester"	"DTXSID7027093"	"CCNC(=S)OC(C)C"	"InChI=1S/C6H13NOS/c1-4-7-6(9)8-5(2)3/h5H,4H2,1-3H3,(H,7,9)"	"KIACEOHPIRTHMI-UHFFFAOYSA-N"	"?"
"255"	"112-30-1"	"1-Decanol"	"DTXSID7021946"	"CCCCCCCCCCO"	"InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3"	"MWKFXSUHUHTGQN-UHFFFAOYSA-N"	"?"
"256"	"86703-02-8"			"CC1=CC=C(C)N1NC1C=CC(=NN=1)N1CCOCC1"	"InChI=1S/C14H19N5O/c1-11-3-4-12(2)19(11)17-13-5-6-14(16-15-13)18-7-9-20-10-8-18/h3-6H,7-10H2,1-2H3,(H,15,17)"	"JBVCSNJKVNKDHK-UHFFFAOYSA-N"	"Cl"
"257"	"99-85-4"	"gamma-Terpinene"	"DTXSID6041210"	"CC1CC=C(CC=1)C(C)C"	"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3"	"YKFLAYDHMOASIY-UHFFFAOYSA-N"	"?"
"258"	"2494-89-5"	"Ethanol, 2-[(4-aminophenyl)sulfonyl]-, hydrogen sulfate (ester)"	"DTXSID0027484"	"NC1=CC=C(C=C1)S(=O)(=O)CCOS(O)(=O)=O"	"InChI=1S/C8H11NO6S2/c9-7-1-3-8(4-2-7)16(10,11)6-5-15-17(12,13)14/h1-4H,5-6,9H2,(H,12,13,14)"	"IALORYHODRVWKZ-UHFFFAOYSA-N"	"?"
"259"	"3160-37-0"	"Piperonal acetone"	"DTXSID7025926"	"CC(=O)C=CC1C=C2OCOC2=CC=1"	"InChI=1S/C11H10O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h2-6H,7H2,1H3"	"XIYPXOFSURQTTJ-UHFFFAOYSA-N"	"?"
"260"	"90220-18-1"			"CCCCOP(=O)(CC)SC"	"InChI=1S/C7H17O2PS/c1-4-6-7-9-10(8,5-2)11-3/h4-7H2,1-3H3"	"FZJVVHXAMDUDCB-UHFFFAOYSA-N"	"?"
"261"	"562-74-3"	"4-Methyl-1-(propan-2-yl)cyclohex-3-en-1-ol"	"DTXSID4044824"	"CC(C)C1(O)CC=C(C)CC1"	"InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3"	"WRYLYDPHFGVWKC-UHFFFAOYSA-N"	"?"
"262"	"110-58-7"	"Pentan-1-amine"	"DTXSID0021919"	"CCCCCN"	"InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3"	"DPBLXKKOBLCELK-UHFFFAOYSA-N"	"?"
"263"	"73681-13-7"	"Acetamide, N-tert-butyl-N-(1-cyano-2-(3-pyridyl)amidino)-, hydrate"	"DTXSID20223951"	"CC(=O)N(/C(/NC#N)=N/C1=CN=CC=C1)C(C)(C)C"	"InChI=1S/C13H17N5O/c1-10(19)18(13(2,3)4)12(16-9-14)17-11-6-5-7-15-8-11/h5-8H,1-4H3,(H,16,17)"	"UYURSIDNENQIOT-UHFFFAOYSA-N"	"O"
"264"	"5217-47-0"	"1,3-Diethyl-2-thiobarbituric acid"	"DTXSID0022222"	"CCN1C(=S)N(CC)C(=O)CC1=O"	"InChI=1S/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3"	"SHBTUGJAKBRBBJ-UHFFFAOYSA-N"	"?"
"265"	"569-58-4"	"Benzoic acid, 3,3'-[(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis[6-hydroxy-, ammonium salt (1:3)"	"DTXSID20889354"	"OC1C=CC(=CC=1C(O)=O)/C(=C1/C=CC(=O)C(=C/1)C(O)=O)/C1C=C(C(O)=CC=1)C(O)=O"	"InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)"	"GIXWDMTZECRIJT-UHFFFAOYSA-N"	"[NH4+].[NH4+].[NH4+]"
"266"	"985-12-6"	"Drotaverine hydrochloride"	"DTXSID40243590"	"CCOC1C=C2C(=CC3C=C(OCC)C(=CC=3)OCC)NCCC2=CC=1OCC"	"InChI=1S/C24H31NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,13-16,25H,5-8,11-12H2,1-4H3"	"OMFNSKIUKYOYRG-UHFFFAOYSA-N"	"Cl"
"267"	"2444-90-8"	"Phenol, 4,4'-(1-methylethylidene)bis-, disodium salt"	"DTXSID0027480"	"CC(C)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1"	"InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3"	"IISBACLAFKSPIT-UHFFFAOYSA-N"	"[Na+].[Na+]"
"268"	"17869-27-1"	"2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3-aminopropyl)-"	"DTXSID30170523"	"NCCC[Si]12OCCN(CCO1)CCO2"	"InChI=1S/C9H20N2O3Si/c10-2-1-9-15-12-6-3-11(4-7-13-15)5-8-14-15/h1-10H2"	"BVWMLPXXYGTRHW-UHFFFAOYSA-N"	"?"
"269"	"41798-82-7"			"CN(N=NC1C=CC=CC=1)N=NC1C=CC=CC=1"	"InChI=1S/C13H13N5/c1-18(16-14-12-8-4-2-5-9-12)17-15-13-10-6-3-7-11-13/h2-11H,1H3"	"JTAOTQINXCVGIK-UHFFFAOYSA-N"	"?"
"270"	"112-52-7"	"1-Chlorododecane"	"DTXSID0025492"	"CCCCCCCCCCCCCl"	"InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3"	"YAYNEUUHHLGGAH-UHFFFAOYSA-N"	"?"
"271"	"24632-63-1"			"CN1CCN(CCC(=O)N=NCC2=CC=C(O2)[N+]([O-])=O)CC1"	"InChI=1S/C13H19N5O4/c1-16-6-8-17(9-7-16)5-4-12(19)15-14-10-11-2-3-13(22-11)18(20)21/h2-3H,4-10H2,1H3"	"HTKJTOFTELHABB-UHFFFAOYSA-N"	"?"
"272"	"298-14-6"	"Potassium bicarbonate"	"DTXSID0021177"	"OC(O)=O"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	"[K+]"
"273"	"2409-55-4"	"2-tert-Butyl-4-methylphenol"	"DTXSID2020212"	"CC1C=CC(O)=C(C=1)C(C)(C)C"	"InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3"	"IKEHOXWJQXIQAG-UHFFFAOYSA-N"	"?"
"274"	"120-72-9"	"Indole"	"DTXSID0020737"	"C1=CC=CC2NC=CC=21"	"InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H"	"SIKJAQJRHWYJAI-UHFFFAOYSA-N"	"?"
"275"	"3039-83-6"	"Sodium ethenesulfonate"	"DTXSID0027513"	"C=CS(O)(=O)=O"	"InChI=1S/C2H4O3S/c1-2-6(3,4)5/h2H,1H2,(H,3,4,5)"	"NLVXSWCKKBEXTG-UHFFFAOYSA-N"	"[Na+]"
"276"	"4998-76-9"	"Cyclohexylamine hydrochloride"	"DTXSID0020361"	"NC1CCCCC1"	"InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2"	"PAFZNILMFXTMIY-UHFFFAOYSA-N"	"Cl"
"277"	"107-71-1"	"tert-Butyl peroxyacetate"	"DTXSID9029142"	"CC(=O)OOC(C)(C)C"	"InChI=1S/C6H12O3/c1-5(7)8-9-6(2,3)4/h1-4H3"	"SWAXTRYEYUTSAP-UHFFFAOYSA-N"	"?"
"278"	"15500-66-0"	"Pancuronium bromide"	"DTXSID9023415"	"CC12CCC3C(CCC4CC(OC(C)=O)C(CC43C)[N+]3(C)CCCCC3)C1CC(C2OC(C)=O)[N+]1(C)CCCCC1"	"InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2"	"GVEAYVLWDAFXET-UHFFFAOYSA-N"	"[Br-].[Br-]"
"279"	"57-55-6"	"1,2-Propylene glycol"	"DTXSID0021206"	"CC(O)CO"	"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3"	"DNIAPMSPPWPWGF-UHFFFAOYSA-N"	"?"
"280"	"67-21-0"	"dl-Ethionine"	"DTXSID0020579"	"CCSCCC(N)C(O)=O"	"InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)"	"GGLZPLKKBSSKCX-UHFFFAOYSA-N"	"?"
"281"	"23182-46-9"	"Pipethanate ethylbromide"	"DTXSID7046677"	"CC[N+]1(CCOC(=O)C(O)(C2C=CC=CC=2)C2C=CC=CC=2)CCCCC1"	"InChI=1S/C23H30NO3/c1-2-24(16-10-5-11-17-24)18-19-27-22(25)23(26,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,26H,2,5,10-11,16-19H2,1H3/q+1"	"OHEDKBMQRCAABJ-UHFFFAOYSA-N"	"[Br-]"
"282"	"90-43-7"	"2-Phenylphenol"	"DTXSID2021151"	"OC1C=CC=CC=1C1C=CC=CC=1"	"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H"	"LLEMOWNGBBNAJR-UHFFFAOYSA-N"	"?"
"283"	"22936-75-0"	"Dimethametryn"	"DTXSID3041873"	"CC(C)C(C)NC1N=C(N=C(NCC)N=1)SC"	"InChI=1S/C11H21N5S/c1-6-12-9-14-10(13-8(4)7(2)3)16-11(15-9)17-5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)"	"IKYICRRUVNIHPP-UHFFFAOYSA-N"	"?"
"284"	"3761-41-9"	"Mesulfenfos"	"DTXSID9058076"	"CC1=CC(=CC=C1S(C)=O)OP(=S)(OC)OC"	"InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3"	"DLAPIMGBBDILHJ-UHFFFAOYSA-N"	"?"
"285"	"15433-03-1"	"1H-Indene-1,3(2H)-dione, 2-(2,4,6-trimethylphenyl)-"	"DTXSID30165590"	"CC1C=C(C)C=C(C)C=1C1C(=O)C2C=CC=CC=2C1=O"	"InChI=1S/C18H16O2/c1-10-8-11(2)15(12(3)9-10)16-17(19)13-6-4-5-7-14(13)18(16)20/h4-9,16H,1-3H3"	"YETKCQKJSSIDGC-UHFFFAOYSA-N"	"?"
"286"	"108-24-7"	"Acetic anhydride"	"DTXSID0024395"	"CC(=O)OC(C)=O"	"InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3"	"WFDIJRYMOXRFFG-UHFFFAOYSA-N"	"?"
"287"	"120-92-3"	"Cyclopentanone"	"DTXSID3029154"	"O=C1CCCC1"	"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2"	"BGTOWKSIORTVQH-UHFFFAOYSA-N"	"?"
"288"	"495-54-5"	"C.I. Basic Orange 2- parent (Chrysoidine free base)"	"DTXSID4043856"	"NC1C=C(N)C(=CC=1)N=NC1C=CC=CC=1"	"InChI=1S/C12H12N4/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10/h1-8H,13-14H2"	"IWRVPXDHSLTIOC-UHFFFAOYSA-N"	"?"
"289"	"4044-65-9"	"Bitoscanate"	"DTXSID3046532"	"S=C=NC1C=CC(=CC=1)N=C=S"	"InChI=1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H"	"OMWQUXGVXQELIX-UHFFFAOYSA-N"	"?"
"290"	"556-82-1"	"3-Methyl-2-buten-1-ol"	"DTXSID2027206"	"CC(C)=CCO"	"InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3"	"ASUAYTHWZCLXAN-UHFFFAOYSA-N"	"?"
"291"	"5131-60-2"	"4-Chloro-1,3-diaminobenzene"	"DTXSID0020282"	"NC1=CC(N)=C(Cl)C=C1"	"InChI=1S/C6H7ClN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2"	"ZWUBBMDHSZDNTA-UHFFFAOYSA-N"	"?"
"292"	"103-23-1"	"Di(2-ethylhexyl) adipate"	"DTXSID0020606"	"CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC"	"InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3"	"SAOKZLXYCUGLFA-UHFFFAOYSA-N"	"?"
"293"	"74764-93-5"			"CN(C)CCN(C)N1C=C(C2=CC(C)=CC=C12)C1C=CC=CC=1"	"InChI=1S/C20H25N3/c1-16-10-11-20-18(14-16)19(17-8-6-5-7-9-17)15-23(20)22(4)13-12-21(2)3/h5-11,14-15H,12-13H2,1-4H3"	"WTKLXVFTECURNQ-UHFFFAOYSA-N"	"[Cl-]"
"294"	"78-87-5"	"1,2-Dichloropropane"	"DTXSID0020448"	"CC(Cl)CCl"	"InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3"	"KNKRKFALVUDBJE-UHFFFAOYSA-N"	"?"
"295"	"25961-87-9"	"Ethanol, 2-(2-(heptyloxy)ethoxy)-"	"DTXSID50180629"	"CCCCCCCOCCOCCO"	"InChI=1S/C11H24O3/c1-2-3-4-5-6-8-13-10-11-14-9-7-12/h12H,2-11H2,1H3"	"OVPQPMTZOLCPHB-UHFFFAOYSA-N"	"?"
"296"	"105-52-2"	"2-Butenedioic acid (2Z)-, bis(1,3-dimethylbutyl) ester"	"DTXSID4026717"	"CC(C)CC(C)OC(=O)C=CC(=O)OC(C)CC(C)C"	"InChI=1S/C16H28O4/c1-11(2)9-13(5)19-15(17)7-8-16(18)20-14(6)10-12(3)4/h7-8,11-14H,9-10H2,1-6H3"	"NZQQFMVULBBDSP-UHFFFAOYSA-N"	"?"
"297"	"75-21-8"	"Ethylene oxide"	"DTXSID0020600"	"C1CO1"	"InChI=1S/C2H4O/c1-2-3-1/h1-2H2"	"IAYPIBMASNFSPL-UHFFFAOYSA-N"	"?"
"298"	"60676-83-7"	"Benzamide, 4-amino-N-cyclopropyl-3,5-dichloro-"	"DTXSID40209479"	"NC1C(Cl)=CC(=CC=1Cl)C(=O)NC1CC1"	"InChI=1S/C10H10Cl2N2O/c11-7-3-5(4-8(12)9(7)13)10(15)14-6-1-2-6/h3-4,6H,1-2,13H2,(H,14,15)"	"ZOEINVZGXJXJIR-UHFFFAOYSA-N"	"?"
"299"	"10140-94-0"			"CCC1COP(=S)(Cl)OC1CCC"	"InChI=1S/C8H16ClO2PS/c1-3-5-8-7(4-2)6-10-12(9,13)11-8/h7-8H,3-6H2,1-2H3"	"LIQASYRHUGVBON-UHFFFAOYSA-N"	"?"
"300"	"87687-13-6"			"CN1CCN(CC2C(SC3C=CC=CC=3NC2=O)C2C=CC=CC=2)CC1"	"InChI=1S/C21H25N3OS/c1-23-11-13-24(14-12-23)15-17-20(16-7-3-2-4-8-16)26-19-10-6-5-9-18(19)22-21(17)25/h2-10,17,20H,11-15H2,1H3,(H,22,25)"	"YGOYABDTPZVXLE-UHFFFAOYSA-N"	"Cl.Cl"
"301"	"24017-20-7"			"CCP(=S)(OC)SCN1C(=O)C2C=CC=CC=2C1=O"	"InChI=1S/C12H14NO3PS2/c1-3-17(18,16-2)19-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,3,8H2,1-2H3"	"YBKYDCKBUSWFIS-UHFFFAOYSA-N"	"?"
"302"	"99-59-2"	"2-Methoxy-5-nitroaniline"	"DTXSID0020943"	"COC1C=CC(=CC=1N)[N+]([O-])=O"	"InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3"	"NIPDVSLAMPAWTP-UHFFFAOYSA-N"	"?"
"303"	"953-17-3"	"Methyl trithion"	"DTXSID3040275"	"COP(=S)(OC)SCSC1C=CC(Cl)=CC=1"	"InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3"	"OUCCVXVYGFBXSV-UHFFFAOYSA-N"	"?"
"304"	"119600-43-0"			"CCN1CCC2=C3C1CC=C(C(=O)OC)N3C1C=CC=CC2=1"	"InChI=1S/C18H20N2O2/c1-3-19-11-10-13-12-6-4-5-7-14(12)20-16(18(21)22-2)9-8-15(19)17(13)20/h4-7,9,15H,3,8,10-11H2,1-2H3"	"JWOSSISWAJNJIA-UHFFFAOYSA-N"	"Cl"
"305"	"54533-86-7"	"Nizofenone"	"DTXSID5048637"	"CCN(CC1=NC=CN1C1C=CC(=CC=1C(=O)C1C=CC=CC=1Cl)[N+]([O-])=O)CC"	"InChI=1S/C21H21ClN4O3/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22/h5-13H,3-4,14H2,1-2H3"	"WZGBZLHGOVJDET-UHFFFAOYSA-N"	"?"
"306"	"2439-01-2"	"Chinomethionate"	"DTXSID2032342"	"CC1=CC2N=C3SC(=O)SC3=NC=2C=C1"	"InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3"	"FBQQHUGEACOBDN-UHFFFAOYSA-N"	"?"
"307"	"2154-02-1"			"COC1=CC2CCN(C)C(CCC3C=CC(Cl)=CC=3)C=2C=C1OC"	"InChI=1S/C20H24ClNO2/c1-22-11-10-15-12-19(23-2)20(24-3)13-17(15)18(22)9-6-14-4-7-16(21)8-5-14/h4-5,7-8,12-13,18H,6,9-11H2,1-3H3"	"YBCPYHQFUMNOJG-UHFFFAOYSA-N"	"?"
"308"	"66-75-1"	"Uracil mustard"	"DTXSID8026270"	"O=C1NC=C(C(=O)N1)N(CCCl)CCCl"	"InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)"	"IDPUKCWIGUEADI-UHFFFAOYSA-N"	"?"
"309"	"64-55-1"	"Mebutamate"	"DTXSID1023239"	"CCC(C)C(C)(COC(N)=O)COC(N)=O"	"InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)"	"LEROTMJVBFSIMP-UHFFFAOYSA-N"	"?"
"310"	"106-44-5"	"p-Cresol"	"DTXSID7021869"	"CC1=CC=C(O)C=C1"	"InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3"	"IWDCLRJOBJJRNH-UHFFFAOYSA-N"	"?"
"311"	"39754-64-8"			"S=C1NCCC(COC2C=CC=CC=2)O1"	"InChI=1S/C11H13NO2S/c15-11-12-7-6-10(14-11)8-13-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,15)"	"NIPRGEWHJUTVQK-UHFFFAOYSA-N"	"?"
"312"	"75614-09-4"			"COC1C=CC(CC2CNC(=O)N2)=CC=1OC1CCCC1"	"InChI=1S/C16H22N2O3/c1-20-14-7-6-11(8-12-10-17-16(19)18-12)9-15(14)21-13-4-2-3-5-13/h6-7,9,12-13H,2-5,8,10H2,1H3,(H2,17,18,19)"	"YOFWLAASFMHLAD-UHFFFAOYSA-N"	"?"
"313"	"7023-61-2"	"2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy-, calcium salt (1:1)"	"DTXSID0027642"	"CC1C=C(C(=CC=1Cl)N=NC1=C2C=CC=CC2=CC(=C1O)C(O)=O)S(O)(=O)=O"	"InChI=1S/C18H13ClN2O6S/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24/h2-8,22H,1H3,(H,23,24)(H,25,26,27)"	"LZNMMJSXOXXHFD-UHFFFAOYSA-N"	"[Ca+2]"
"314"	"67-97-0"	"Vitamin D3"	"DTXSID6026294"	"CC(C)CCCC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CCC1=C"	"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3"	"QYSXJUFSXHHAJI-UHFFFAOYSA-N"	"?"
"315"	"642-72-8"	"Benzydamine"	"DTXSID7047859"	"CN(C)CCCOC1=NN(CC2C=CC=CC=2)C2C=CC=CC=21"	"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3"	"CNBGNNVCVSKAQZ-UHFFFAOYSA-N"	"?"
"316"	"7203-92-1"			"COC1C=CC(=CC=1)N=NN(C)C"	"InChI=1S/C9H13N3O/c1-12(2)11-10-8-4-6-9(13-3)7-5-8/h4-7H,1-3H3"	"QPTMKAGSZAYAPZ-UHFFFAOYSA-N"	"?"
"317"	"1331-28-8"	"Benzene, chloroethenyl-"	"DTXSID00859510"	"ClC=CC1C=CC=CC=1"	"InChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-7H"	"SBYMUDUGTIKLCR-UHFFFAOYSA-N"	"?"
"318"	"7005-47-2"	"2-(Dimethylamino)-2-methylpropan-1-ol"	"DTXSID6044721"	"CN(C)C(C)(C)CO"	"InChI=1S/C6H15NO/c1-6(2,5-8)7(3)4/h8H,5H2,1-4H3"	"XRIBIDPMFSLGFS-UHFFFAOYSA-N"	"?"
"319"	"1134-36-7"	"[1,1'-Biphenyl]-4-ol, 3-amino-"	"DTXSID8061553"	"NC1C=C(C=CC=1O)C1C=CC=CC=1"	"InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2"	"IGIDZGNPFWGICD-UHFFFAOYSA-N"	"?"
"320"	"110-63-4"	"1,4-Butanediol"	"DTXSID2024666"	"OCCCCO"	"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2"	"WERYXYBDKMZEQL-UHFFFAOYSA-N"	"?"
"321"	"35793-87-4"			"CCC1NC(=O)C2C=C(N)C=CC=2O1"	"InChI=1S/C10H12N2O2/c1-2-9-12-10(13)7-5-6(11)3-4-8(7)14-9/h3-5,9H,2,11H2,1H3,(H,12,13)"	"KFXTUQBOKKTTEP-UHFFFAOYSA-N"	"?"
"322"	"6980-18-3"	"Kasugamycin"	"DTXSID1040374"	"[H]/N=C(/NC1CC(N)C(OC1C)OC1C(O)C(O)C(O)C(O)C1O)\C(O)=O"	"InChI=1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)"	"PVTHJAPFENJVNC-UHFFFAOYSA-N"	"?"
"323"	"120-61-6"	"Dimethyl terephthalate"	"DTXSID0020498"	"COC(=O)C1C=CC(=CC=1)C(=O)OC"	"InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3"	"WOZVHXUHUFLZGK-UHFFFAOYSA-N"	"?"
"324"	"2078-54-8"	"Propofol"	"DTXSID6023523"	"CC(C)C1=CC=CC(C(C)C)=C1O"	"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3"	"OLBCVFGFOZPWHH-UHFFFAOYSA-N"	"?"
"325"	"87798-87-6"	"Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride"	"DTXSID00236640"	"CN1C(=O)C2=C(N=CN2CCCCCN2CCN(CC2)C2=CC(=CC=C2)C(F)(F)F)N(C)C1=O"	"InChI=1S/C23H29F3N6O2/c1-28-20-19(21(33)29(2)22(28)34)32(16-27-20)10-5-3-4-9-30-11-13-31(14-12-30)18-8-6-7-17(15-18)23(24,25)26/h6-8,15-16H,3-5,9-14H2,1-2H3"	"QAIFLILFSPCOEE-UHFFFAOYSA-N"	"Cl.Cl"
"326"	"3033-62-3"	"Bis[2-(dimethylamino)ethyl]ether"	"DTXSID5027512"	"CN(C)CCOCCN(C)C"	"InChI=1S/C8H20N2O/c1-9(2)5-7-11-8-6-10(3)4/h5-8H2,1-4H3"	"GTEXIOINCJRBIO-UHFFFAOYSA-N"	"?"
"327"	"80-50-2"	"Anisotropine methylbromide"	"DTXSID8022612"	"C[N+]1(C)C2CC(CC1CC2)OC(=O)C(CCC)CCC"	"InChI=1S/C17H32NO2/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4/h13-16H,5-12H2,1-4H3/q+1"	"XGGHHHBGPSNXFE-UHFFFAOYSA-N"	"[Br-]"
"328"	"96-33-3"	"Methyl acrylate"	"DTXSID0024183"	"COC(=O)C=C"	"InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3"	"BAPJBEWLBFYGME-UHFFFAOYSA-N"	"?"
"329"	"2495-37-6"	"Benzyl methacrylate"	"DTXSID0022193"	"CC(=C)C(=O)OCC1C=CC=CC=1"	"InChI=1S/C11H12O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3"	"AOJOEFVRHOZDFN-UHFFFAOYSA-N"	"?"
"330"	"17692-34-1"			"OCCOCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C23H31ClN2O3/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)26-12-10-25(11-13-26)14-16-28-18-19-29-17-15-27/h1-9,23,27H,10-19H2"	"VUFOCTSXHUWGPW-UHFFFAOYSA-N"	"?"
"331"	"56296-78-7"	"Fluoxetine hydrochloride"	"DTXSID7020635"	"CNCCC(OC1C=CC(=CC=1)C(F)(F)F)C1C=CC=CC=1"	"InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3"	"RTHCYVBBDHJXIQ-UHFFFAOYSA-N"	"Cl"
"332"	"5251-79-6"	"Ammonium benzadox"	"DTXSID1058397"	"OC(=O)CONC(=O)C1C=CC=CC=1"	"InChI=1S/C9H9NO4/c11-8(12)6-14-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)"	"WDRGQGLIUAMOOC-UHFFFAOYSA-N"	"[NH4+]"
"333"	"118288-08-7"	"Lafutidine"	"DTXSID0046434"	"O=C(CS(=O)CC1=CC=CO1)NCC=CCOC1C=C(CN2CCCCC2)C=CN=1"	"InChI=1S/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)"	"KMZQAVXSMUKBPD-UHFFFAOYSA-N"	"?"
"334"	"17274-12-3"	"Benzoic acid, 2,3,5-triiodo-, sodium salt"	"DTXSID80169381"	"OC(=O)C1C=C(I)C=C(I)C=1I"	"InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)"	"ZMZGFLUUZLELNE-UHFFFAOYSA-N"	"[Na+]"
"335"	"4019-40-3"	"5-Chloro-3-(4-chlorophenyl)-4'-chlorosalicylanilide"	"DTXSID80193186"	"OC1C(=CC(Cl)=CC=1C1C=CC(Cl)=CC=1)C(=O)NC1C=CC(Cl)=CC=1"	"InChI=1S/C19H12Cl3NO2/c20-12-3-1-11(2-4-12)16-9-14(22)10-17(18(16)24)19(25)23-15-7-5-13(21)6-8-15/h1-10,24H,(H,23,25)"	"ASSOGKHCUUVDFJ-UHFFFAOYSA-N"	"?"
"336"	"62865-36-5"	"Diclomezine"	"DTXSID0058146"	"CC1C(Cl)=CC(=CC=1Cl)C1=CC=C(O)N=N1"	"InChI=1S/C11H8Cl2N2O/c1-6-8(12)4-7(5-9(6)13)10-2-3-11(16)15-14-10/h2-5H,1H3,(H,15,16)"	"UWQMKVBQKFHLCE-UHFFFAOYSA-N"	"?"
"337"	"101-80-4"	"4,4'-Oxydianiline"	"DTXSID0021094"	"NC1C=CC(=CC=1)OC1C=CC(N)=CC=1"	"InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2"	"HLBLWEWZXPIGSM-UHFFFAOYSA-N"	"?"
"338"	"6915-15-7"	"Malic acid"	"DTXSID0027640"	"OC(=O)C(O)CC(O)=O"	"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)"	"BJEPYKJPYRNKOW-UHFFFAOYSA-N"	"?"
"339"	"121-92-6"	"3-Nitrobenzoic acid"	"DTXSID0025737"	"[O-][N+](=O)C1=CC(=CC=C1)C(O)=O"	"InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)"	"AFPHTEQTJZKQAQ-UHFFFAOYSA-N"	"?"
"340"	"50594-66-6"	"Acifluorfen"	"DTXSID0020022"	"[O-][N+](=O)C1C=CC(=CC=1C(O)=O)OC1=CC=C(C=C1Cl)C(F)(F)F"	"InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)"	"NUFNQYOELLVIPL-UHFFFAOYSA-N"	"?"
"341"	"31895-22-4"	"Thiocyclam oxalate"	"DTXSID0047036"	"CN(C)C1CSSSC1"	"InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3"	"DNVLJEWNNDHELH-UHFFFAOYSA-N"	"C(C(=O)O)(=O)O"
"342"	"19089-47-5"	"2-Ethoxy-1-propanol"	"DTXSID90864870"	"CCOC(C)CO"	"InChI=1S/C5H12O2/c1-3-7-5(2)4-6/h5-6H,3-4H2,1-2H3"	"DEDUBNVYPMOFDR-UHFFFAOYSA-N"	"?"
"343"	"88-23-3"	"6-Amino-4-chloro-1-phenol-2-sulfonic acid"	"DTXSID0024474"	"NC1=CC(Cl)=CC(=C1O)S(O)(=O)=O"	"InChI=1S/C6H6ClNO4S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2,9H,8H2,(H,10,11,12)"	"YCTAOQGPWNTYJE-UHFFFAOYSA-N"	"?"
"344"	"106635-81-8"			"CC1C=C(N=C2C=1C(OC1=CC(=CC=C1)C(F)(F)F)=C(C=C2NC(C)CCCN)OC)OC"	"InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3"	"LBHLFPGPEGDCJG-UHFFFAOYSA-N"	"C(CC(=O)O)C(=O)O"
"345"	"63886-56-6"			"CC1CN(CCO)CC1C"	"InChI=1S/C8H17NO/c1-7-5-9(3-4-10)6-8(7)2/h7-8,10H,3-6H2,1-2H3"	"QWLXIIXHTIUNAM-UHFFFAOYSA-N"	"?"
"346"	"591-78-6"	"2-Hexanone"	"DTXSID0022068"	"CCCCC(C)=O"	"InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3"	"QQZOPKMRPOGIEB-UHFFFAOYSA-N"	"?"
"347"	"24544-04-5"	"2,6-Diisopropylaniline"	"DTXSID5022279"	"CC(C)C1=CC=CC(C(C)C)=C1N"	"InChI=1S/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H3"	"WKBALTUBRZPIPZ-UHFFFAOYSA-N"	"?"
"348"	"15233-47-3"	"N-(1-Methylheptyl)-N'-phenyl-1,4-benzenediamine"	"DTXSID0027771"	"CCCCCCC(C)NC1C=CC(=CC=1)NC1C=CC=CC=1"	"InChI=1S/C20H28N2/c1-3-4-5-7-10-17(2)21-19-13-15-20(16-14-19)22-18-11-8-6-9-12-18/h6,8-9,11-17,21-22H,3-5,7,10H2,1-2H3"	"JQTYAZKTBXWQOM-UHFFFAOYSA-N"	"?"
"349"	"51356-19-5"	"Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-bromo-2-(mercaptomethyl)-3(2H)-pyridazinone"	"DTXSID40199366"	"CCOP(=S)(OCC)SCN1N=C(Br)C=CC1=O"	"InChI=1S/C9H14BrN2O3PS2/c1-3-14-16(17,15-4-2)18-7-12-9(13)6-5-8(10)11-12/h5-6H,3-4,7H2,1-2H3"	"GCZWRFIISHFFSP-UHFFFAOYSA-N"	"?"
"350"	"140-53-4"	"4-Chlorophenylacetonitrile"	"DTXSID8051708"	"N#CCC1C=CC(Cl)=CC=1"	"InChI=1S/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2"	"IVYMIRMKXZAHRV-UHFFFAOYSA-N"	"?"
"351"	"55689-65-1"	"Oxepinac"	"DTXSID10204219"	"OC(=O)CC1=CC2OCC3C=CC=CC=3C(=O)C=2C=C1"	"InChI=1S/C16H12O4/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-7H,8-9H2,(H,17,18)"	"PYIHCGFQQSKYBO-UHFFFAOYSA-N"	"?"
"352"	"57262-94-9"	"Setiptiline"	"DTXSID50205886"	"CN1CC2C3C=CC=CC=3CC3C=CC=CC=3C=2CC1"	"InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3"	"GVPIXRLYKVFFMK-UHFFFAOYSA-N"	"?"
"353"	"13450-77-6"	"4-Chlorohippuric acid"	"DTXSID40158756"	"OC(=O)CNC(=O)C1=CC=C(Cl)C=C1"	"InChI=1S/C9H8ClNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)"	"COYZIYOEXGRBHQ-UHFFFAOYSA-N"	"?"
"354"	"61-73-4"	"Methylene blue"	"DTXSID0023296"	"CN(C)C1=CC2=[S+]C3C=C(C=CC=3N=C2C=C1)N(C)C"	"InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1"	"RBTBFTRPCNLSDE-UHFFFAOYSA-N"	"[Cl-]"
"355"	"660-68-4"	"Diethylamine hydrochloride"	"DTXSID9044320"	"CCNCC"	"InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3"	"HPNMFZURTQLUMO-UHFFFAOYSA-N"	"Cl"
"356"	"103150-29-4"	"Pyrrolidine, 1-(2-(4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)-, hydrochloride, trans-(+-)-"	"DTXSID90145676"	"COC1=CC2OC(C)(C)C(C(C=2C=C1)C1C=CC(=CC=1)OCCN1CCCC1)C1C=CC=CC=1"	"InChI=1S/C30H35NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3"	"XZEUAXYWNKYKPL-UHFFFAOYSA-N"	"Cl"
"357"	"16356-11-9"	"1,3,5-Undecatriene"	"DTXSID9047546"	"CCCCCC=CC=CC=C"	"InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3"	"JQQDKNVOSLONRS-UHFFFAOYSA-N"	"?"
"358"	"75-09-2"	"Dichloromethane"	"DTXSID0020868"	"ClCCl"	"InChI=1S/CH2Cl2/c2-1-3/h1H2"	"YMWUJEATGCHHMB-UHFFFAOYSA-N"	"?"
"359"	"35944-85-5"			"OP(O)(=O)OC(=CCl)C1=CC=C(Cl)C=C1Cl"	"InChI=1S/C8H6Cl3O4P/c9-4-8(15-16(12,13)14)6-2-1-5(10)3-7(6)11/h1-4H,(H2,12,13,14)"	"JOHXIUZTDZVRJX-UHFFFAOYSA-N"	"?"
"360"	"76-03-9"	"Trichloroacetic acid"	"DTXSID1021378"	"OC(=O)C(Cl)(Cl)Cl"	"InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)"	"YNJBWRMUSHSURL-UHFFFAOYSA-N"	"?"
"361"	"152-18-1"	"O,O,O-Trimethyl phosphorothioate"	"DTXSID30164927"	"COP(=S)(OC)OC"	"InChI=1S/C3H9O3PS/c1-4-7(8,5-2)6-3/h1-3H3"	"XWSLYQXUTWUIKM-UHFFFAOYSA-N"	"?"
"362"	"161967-81-3"	"Grepafloxacin hydrochloride"	"DTXSID0046692"	"CC1C(F)=C(C=C2C=1C(=O)C(=CN2C1CC1)C(O)=O)N1CCNC(C)C1"	"InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)"	"AIJTTZAVMXIJGM-UHFFFAOYSA-N"	"Cl"
"363"	"122-37-2"	"4-Anilinophenol"	"DTXSID5037739"	"OC1C=CC(=CC=1)NC1C=CC=CC=1"	"InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H"	"JTTMYKSFKOOQLP-UHFFFAOYSA-N"	"?"
"364"	"104-01-8"	"Benzeneacetic acid, 4-methoxy-"	"DTXSID1059288"	"COC1C=CC(CC(O)=O)=CC=1"	"InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)"	"NRPFNQUDKRYCNX-UHFFFAOYSA-N"	"?"
"365"	"28998-67-6"	"Pyrazole, 3-butyl-"	"DTXSID40183189"	"CCCCC1=CC=NN1"	"InChI=1S/C7H12N2/c1-2-3-4-7-5-6-8-9-7/h5-6H,2-4H2,1H3,(H,8,9)"	"GFJCGXFXOXSUJX-UHFFFAOYSA-N"	"?"
"366"	"25369-84-0"	"Piperidine, 1-(1H-benzimidazol-2-ylthio)-"	"DTXSID00180013"	"C1CCCCN1SC1NC2C=CC=CC=2N=1"	"InChI=1S/C12H15N3S/c1-4-8-15(9-5-1)16-12-13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2,(H,13,14)"	"OQXJJUZITCLMST-UHFFFAOYSA-N"	"?"
"367"	"15589-31-8"	"Terallethrin"	"DTXSID8057984"	"CC1C(CC(=O)C=1CC=C)OC(=O)C1C(C)(C)C1(C)C"	"InChI=1S/C17H24O3/c1-7-8-11-10(2)13(9-12(11)18)20-15(19)14-16(3,4)17(14,5)6/h7,13-14H,1,8-9H2,2-6H3"	"MIZYPRIEDMSCAC-UHFFFAOYSA-N"	"?"
"368"	"919-31-3"	"3-(Triethoxysilyl)propionitrile"	"DTXSID7027334"	"CCO[Si](CCC#N)(OCC)OCC"	"InChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3"	"GBQYMXVQHATSCC-UHFFFAOYSA-N"	"?"
"369"	"1244-76-4"	"Hydroxyzine hydrochloride"	"DTXSID5047530"	"OCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2"	"ZQDWXGKKHFNSQK-UHFFFAOYSA-N"	"Cl"
"370"	"13009-99-9"	"Mafenide acetate"	"DTXSID00156334"	"NCC1=CC=C(C=C1)S(N)(=O)=O"	"InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)"	"TYMRLRRVMHJFTF-UHFFFAOYSA-N"	"OC(=O)C"
"371"	"104719-71-3"	"Lorcinadol"	"DTXSID50883148"	"ClC1=CC=C(N=N1)N1CCN(CC=CC2C=CC=CC=2)CC1"	"InChI=1S/C17H19ClN4/c18-16-8-9-17(20-19-16)22-13-11-21(12-14-22)10-4-7-15-5-2-1-3-6-15/h1-9H,10-14H2"	"NCPBMOFVRBEVJY-UHFFFAOYSA-N"	"?"
"372"	"17702-63-5"	"AI 3-27239"	"DTXSID10170243"	"CN(CCO)C(=S)NP(=S)(OC)OC"	"InChI=1S/C6H15N2O3PS2/c1-8(4-5-9)6(13)7-12(14,10-2)11-3/h9H,4-5H2,1-3H3,(H,7,13,14)"	"HUSWYLCFUROMJM-UHFFFAOYSA-N"	"?"
"373"	"33210-39-8"			"CC1(C)CNC(=NC1)C(CC)(OCC)C1C=CC(Cl)=CC=1"	"InChI=1S/C17H25ClN2O/c1-5-17(21-6-2,13-7-9-14(18)10-8-13)15-19-11-16(3,4)12-20-15/h7-10H,5-6,11-12H2,1-4H3,(H,19,20)"	"YFNBRJDQNDFSSJ-UHFFFAOYSA-N"	"?"
"374"	"5837-67-2"	"Maleic anhydride, dihydroxy-, bis(hydrocinnamate)"	"DTXSID80207090"	"O=C(CCC1C=CC=CC=1)OC1=C(OC(=O)CCC2C=CC=CC=2)C(=O)OC1=O"	"InChI=1S/C22H18O7/c23-17(13-11-15-7-3-1-4-8-15)27-19-20(22(26)29-21(19)25)28-18(24)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2"	"CIMLPWNHKBNSGM-UHFFFAOYSA-N"	"?"
"375"	"140-11-4"	"Benzyl acetate"	"DTXSID0020151"	"CC(=O)OCC1C=CC=CC=1"	"InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3"	"QUKGYYKBILRGFE-UHFFFAOYSA-N"	"?"
"376"	"32809-16-8"	"Procymidone"	"DTXSID9033923"	"CC12CC1(C)C(=O)N(C1C=C(Cl)C=C(Cl)C=1)C2=O"	"InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3"	"QXJKBPAVAHBARF-UHFFFAOYSA-N"	"?"
"377"	"111-65-9"	"Octane"	"DTXSID0026882"	"CCCCCCCC"	"InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3"	"TVMXDCGIABBOFY-UHFFFAOYSA-N"	"?"
"378"	"2156-72-1"			"CC(C)(C)N(Cl)Cl"	"InChI=1S/C4H9Cl2N/c1-4(2,3)7(5)6/h1-3H3"	"UIBSAKCPWDWPLB-UHFFFAOYSA-N"	"?"
"379"	"4549-44-4"	"N-Ethyl-N-butylnitrosamine"	"DTXSID50196528"	"CCCCN(CC)N=O"	"InChI=1S/C6H14N2O/c1-3-5-6-8(4-2)7-9/h3-6H2,1-2H3"	"ZGMCNGHHUQZNIH-UHFFFAOYSA-N"	"?"
"380"	"94-75-7"	"2,4-Dichlorophenoxyacetic acid"	"DTXSID0020442"	"OC(=O)COC1C=CC(Cl)=CC=1Cl"	"InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)"	"OVSKIKFHRZPJSS-UHFFFAOYSA-N"	"?"
"381"	"102-69-2"	"Tripropylamine"	"DTXSID9021849"	"CCCN(CCC)CCC"	"InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3"	"YFTHZRPMJXBUME-UHFFFAOYSA-N"	"?"
"382"	"592-88-1"	"1-Propene, 3,3'-thiobis-"	"DTXSID6060470"	"C=CCSCC=C"	"InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2"	"UBJVUCKUDDKUJF-UHFFFAOYSA-N"	"?"
"383"	"23281-95-0"	"Methacrylic acid, 2-(butylthio)ethyl ester"	"DTXSID50177852"	"CC(=C)C(=O)OCCSCCCC"	"InChI=1S/C10H18O2S/c1-4-5-7-13-8-6-12-10(11)9(2)3/h2,4-8H2,1,3H3"	"COKZCMFCVMEDJM-UHFFFAOYSA-N"	"?"
"384"	"569-65-3"	"Meclizine"	"DTXSID0023242"	"CC1=CC(CN2CCN(CC2)C(C2C=CC=CC=2)C2C=CC(Cl)=CC=2)=CC=C1"	"InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3"	"OCJYIGYOJCODJL-UHFFFAOYSA-N"	"?"
"385"	"10274-44-9"			"COC1C=CC(CC(=NC(=O)C(CC)CC)C(O)=O)=CC=1"	"InChI=1S/C16H21NO4/c1-4-12(5-2)15(18)17-14(16(19)20)10-11-6-8-13(21-3)9-7-11/h6-9,12H,4-5,10H2,1-3H3,(H,19,20)"	"YMUMPQXZMVKAIA-UHFFFAOYSA-N"	"?"
"386"	"542-92-7"	"1,3-Cyclopentadiene"	"DTXSID0027191"	"C1C=CC=C1"	"InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2"	"ZSWFCLXCOIISFI-UHFFFAOYSA-N"	"?"
"387"	"64204-49-5"	"Ethanimidamide, 2-((3,4-dichlorophenyl)amino)-N-hydroxy-, monohydrochloride"	"DTXSID10214419"	"NC(CNC1C=C(Cl)C(Cl)=CC=1)N=O"	"InChI=1S/C8H9Cl2N3O/c9-6-2-1-5(3-7(6)10)12-4-8(11)13-14/h1-3,8,12H,4,11H2"	"OZWDHQCLMOKAJR-UHFFFAOYSA-N"	"Cl"
"388"	"79-16-3"	"N-Methylacetamide"	"DTXSID0047167"	"CNC(C)=O"	"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)"	"OHLUUHNLEMFGTQ-UHFFFAOYSA-N"	"?"
"389"	"2487-90-3"	"Trimethoxysilane"	"DTXSID0027482"	"CO[SiH](OC)OC"	"InChI=1S/C3H10O3Si/c1-4-7(5-2)6-3/h7H,1-3H3"	"YUYCVXFAYWRXLS-UHFFFAOYSA-N"	"?"
"390"	"110-71-4"	"Ethylene glycol dimethyl ether"	"DTXSID0025286"	"COCCOC"	"InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3"	"XTHFKEDIFFGKHM-UHFFFAOYSA-N"	"?"
"391"	"68289-14-5"	"Metrazifone"	"DTXSID30218434"	"CN(C)C1C=CC(=CC=1)C1=NC(=O)N(C)N=C1C1C=CC(=CC=1)N(C)C"	"InChI=1S/C20H23N5O/c1-23(2)16-10-6-14(7-11-16)18-19(22-25(5)20(26)21-18)15-8-12-17(13-9-15)24(3)4/h6-13H,1-5H3"	"FBZHCUQUPMUOCR-UHFFFAOYSA-N"	"?"
"392"	"50-35-1"	"Thalidomide"	"DTXSID9022524"	"O=C1CCC(C(=O)N1)N1C(=O)C2C=CC=CC=2C1=O"	"InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)"	"UEJJHQNACJXSKW-UHFFFAOYSA-N"	"?"
"393"	"7549-33-9"	"Anisyl propionate"	"DTXSID8047713"	"COC1=CC=C(COC(=O)CC)C=C1"	"InChI=1S/C11H14O3/c1-3-11(12)14-8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3"	"YWIJRJQYADFRTL-UHFFFAOYSA-N"	"?"
"394"	"58338-59-3"	"Dianiline"	"DTXSID3046114"	"NC1C=CC(=CC=1)C(=O)NC1=CC=CC=C1N"	"InChI=1S/C13H13N3O/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h1-8H,14-15H2,(H,16,17)"	"QGMGHALXLXKCBD-UHFFFAOYSA-N"	"?"
"395"	"206-44-0"	"Fluoranthene"	"DTXSID3024104"	"C1=CC=C2C=CC=C3C2=C1C1=CC=CC=C31"	"InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H"	"GVEPBJHOBDJJJI-UHFFFAOYSA-N"	"?"
"396"	"80-49-9"	"Homatropine methylbromide"	"DTXSID4023127"	"C[N+]1(C)C2CC(CC1CC2)OC(=O)C(O)C1C=CC=CC=1"	"InChI=1S/C17H24NO3/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12/h3-7,13-16,19H,8-11H2,1-2H3/q+1"	"WKWOJBUWWZTUQV-UHFFFAOYSA-N"	"[Br-]"
"397"	"32887-03-9"	"Pivmecillinam hydrochloride"	"DTXSID1045453"	"CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(N=CN1CCCCCC1)C2=O"	"InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3"	"NPGNOVNWUSPMDP-UHFFFAOYSA-N"	"Cl"
"398"	"2454-37-7"			"CC(O)C1C=CC=C(N)C=1"	"InChI=1S/C8H11NO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,9H2,1H3"	"QPKNDHZQPGMLCJ-UHFFFAOYSA-N"	"?"
"399"	"55219-65-3"	"Triadimenol"	"DTXSID0032493"	"CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1"	"InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3"	"BAZVSMNPJJMILC-UHFFFAOYSA-N"	"?"
"400"	"2275-07-2"	"2(3H)-Benzoxazolone, 6-chloro-3-(hydroxymethyl)-"	"DTXSID20177288"	"OCN1C(=O)OC2C=C(Cl)C=CC1=2"	"InChI=1S/C8H6ClNO3/c9-5-1-2-6-7(3-5)13-8(12)10(6)4-11/h1-3,11H,4H2"	"PYDBIEBVVJRJRV-UHFFFAOYSA-N"	"?"
"401"	"2511-12-8"			"CSP(=O)(CC)OCC"	"InChI=1S/C5H13O2PS/c1-4-7-8(6,5-2)9-3/h4-5H2,1-3H3"	"VGMFDXWIGFLSBM-UHFFFAOYSA-N"	"?"
"402"	"14860-49-2"	"Clobutinol"	"DTXSID2022838"	"CC(CN(C)C)C(C)(O)CC1C=CC(Cl)=CC=1"	"InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3"	"KVHHQGIIZCJATJ-UHFFFAOYSA-N"	"?"
"403"	"33499-10-4"			"CC(=O)N1C=C(C(=O)N2C1CCCC2C)C(=O)OCC"	"InChI=1S/C14H20N2O4/c1-4-20-14(19)11-8-15(10(3)17)12-7-5-6-9(2)16(12)13(11)18/h8-9,12H,4-7H2,1-3H3"	"BETJUMPNNQRXLG-UHFFFAOYSA-N"	"?"
"404"	"616-23-9"	"2,3-Dichloro-1-propanol"	"DTXSID2024038"	"OCC(Cl)CCl"	"InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2"	"ZXCYIJGIGSDJQQ-UHFFFAOYSA-N"	"?"
"405"	"20417-92-9"			"CNC(=O)ON=C1C2CC(CC2)C1(C)[N+]([O-])=O"	"InChI=1S/C10H15N3O4/c1-10(13(15)16)7-4-3-6(5-7)8(10)12-17-9(14)11-2/h6-7H,3-5H2,1-2H3,(H,11,14)"	"ZIAJZEAOGKWGJQ-UHFFFAOYSA-N"	"?"
"406"	"111-19-3"	"Decanedioyl dichloride"	"DTXSID3059397"	"O=C(Cl)CCCCCCCCC(=O)Cl"	"InChI=1S/C10H16Cl2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2"	"WMPOZLHMGVKUEJ-UHFFFAOYSA-N"	"?"
"407"	"502-85-2"	"Sodium 4-hydroxybutanoate"	"DTXSID3048940"	"OCCCC(O)=O"	"InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)"	"SJZRECIVHVDYJC-UHFFFAOYSA-N"	"[Na+]"
"408"	"62382-21-2"			"CN(SN1CCOCC1)C(=O)ON=C(C)SC"	"InChI=1S/C9H17N3O3S2/c1-8(16-3)10-15-9(13)11(2)17-12-4-6-14-7-5-12/h4-7H2,1-3H3"	"SISHVWPXUJZTSV-UHFFFAOYSA-N"	"?"
"409"	"1738-25-6"	"3-Dimethylaminopropionitrile"	"DTXSID0027432"	"CN(C)CCC#N"	"InChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3"	"MTPJEFOSTIKRSS-UHFFFAOYSA-N"	"?"
"410"	"91-57-6"	"2-Methylnaphthalene"	"DTXSID4020878"	"CC1=CC2=CC=CC=C2C=C1"	"InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3"	"QIMMUPPBPVKWKM-UHFFFAOYSA-N"	"?"
"411"	"617-94-7"	"2-Phenylpropan-2-ol"	"DTXSID3027247"	"CC(C)(O)C1C=CC=CC=1"	"InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3"	"BDCFWIDZNLCTMF-UHFFFAOYSA-N"	"?"
"412"	"10141-22-7"			"CC(Cl)(CCl)C=O"	"InChI=1S/C4H6Cl2O/c1-4(6,2-5)3-7/h3H,2H2,1H3"	"HWRRRIKZPDRSFG-UHFFFAOYSA-N"	"?"
"413"	"100-02-7"	"4-Nitrophenol"	"DTXSID0021834"	"[O-][N+](=O)C1C=CC(O)=CC=1"	"InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H"	"BTJIUGUIPKRLHP-UHFFFAOYSA-N"	"?"
"414"	"86386-73-4"	"Fluconazole"	"DTXSID3020627"	"OC(CN1C=NC=N1)(CN1C=NC=N1)C1C=CC(F)=CC=1F"	"InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2"	"RFHAOTPXVQNOHP-UHFFFAOYSA-N"	"?"
"415"	"112-80-1"	"Oleic acid"	"DTXSID1025809"	"CCCCCCCCC=CCCCCCCCC(O)=O"	"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)"	"ZQPPMHVWECSIRJ-UHFFFAOYSA-N"	"?"
"416"	"68-26-8"	"Retinol"	"DTXSID3023556"	"CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CCO"	"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3"	"FPIPGXGPPPQFEQ-UHFFFAOYSA-N"	"?"
"417"	"112-42-5"	"1-Undecanol"	"DTXSID0026915"	"CCCCCCCCCCCO"	"InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3"	"KJIOQYGWTQBHNH-UHFFFAOYSA-N"	"?"
"418"	"107-45-9"	"2,4,4-Trimethyl-2-pentanamine"	"DTXSID0021886"	"CC(C)(C)CC(C)(C)N"	"InChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3"	"QIJIUJYANDSEKG-UHFFFAOYSA-N"	"?"
"419"	"2162-57-4"	"Benzoic acid, 5-amino-2-benzoyl-"	"DTXSID80176010"	"NC1=CC(C(O)=O)=C(C=C1)C(=O)C1C=CC=CC=1"	"InChI=1S/C14H11NO3/c15-10-6-7-11(12(8-10)14(17)18)13(16)9-4-2-1-3-5-9/h1-8H,15H2,(H,17,18)"	"ZDLMIZMSCMTDOD-UHFFFAOYSA-N"	"?"
"420"	"6620-60-6"	"Proglumide"	"DTXSID7023516"	"CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)C1C=CC=CC=1"	"InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)"	"DGMKFQYCZXERLX-UHFFFAOYSA-N"	"?"
"421"	"959-52-4"	"Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine"	"DTXSID8052645"	"C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C"	"InChI=1S/C12H15N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-6H,1-3,7-9H2"	"FYBFGAFWCBMEDG-UHFFFAOYSA-N"	"?"
"422"	"5760-50-9"	"9-Undecenoic acid, methyl ester"	"DTXSID5063998"	"CC=CCCCCCCCC(=O)OC"	"InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-4H,5-11H2,1-2H3"	"RHRCWCJKYPOGNT-UHFFFAOYSA-N"	"?"
"423"	"85844-93-5"	"Butanoic acid, 4-(((3-(trifluoromethyl)phenyl)sulfonyl)amino)-"	"DTXSID60235114"	"OC(=O)CCCNS(=O)(=O)C1C=C(C=CC=1)C(F)(F)F"	"InChI=1S/C11H12F3NO4S/c12-11(13,14)8-3-1-4-9(7-8)20(18,19)15-6-2-5-10(16)17/h1,3-4,7,15H,2,5-6H2,(H,16,17)"	"YMRXWPCWJDWPCO-UHFFFAOYSA-N"	"?"
"424"	"151-50-8"	"Potassium cyanide"	"DTXSID0024268"	"C#N"	"InChI=1S/CHN/c1-2/h1H"	"LELOWRISYMNNSU-UHFFFAOYSA-N"	"[K+]"
"425"	"52829-07-9"	"Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate"	"DTXSID0028030"	"CC1(C)CC(CC(C)(C)N1)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1"	"InChI=1S/C28H52N2O4/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22/h21-22,29-30H,9-20H2,1-8H3"	"XITRBUPOXXBIJN-UHFFFAOYSA-N"	"?"
"426"	"629-76-5"	"1-Pentadecanol"	"DTXSID0027270"	"CCCCCCCCCCCCCCCO"	"InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3"	"REIUXOLGHVXAEO-UHFFFAOYSA-N"	"?"
"427"	"65009-35-0"			"CNC(=N)NC(=O)NC1C(C)=CC=CC=1C"	"InChI=1S/C11H16N4O/c1-7-5-4-6-8(2)9(7)14-11(16)15-10(12)13-3/h4-6H,1-3H3,(H4,12,13,14,15,16)"	"RRHJHSBDJDZUGL-UHFFFAOYSA-N"	"Cl"
"428"	"126801-58-9"	"Ethoxysulfuron"	"DTXSID1057951"	"CCOC1=CC=CC=C1OS(=O)(=O)N/C(/O)=N/C1N=C(C=C(N=1)OC)OC"	"InChI=1S/C15H18N4O7S/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)"	"UWVKRNOCDUPIDM-UHFFFAOYSA-N"	"?"
"429"	"75-46-7"	"Trifluoromethane"	"DTXSID0026410"	"FC(F)F"	"InChI=1S/CHF3/c2-1(3)4/h1H"	"XPDWGBQVDMORPB-UHFFFAOYSA-N"	"?"
"430"	"5051-16-1"			"CC(C1C=CC=C2C=CC=CC2=1)C(=O)OCCN1CCN(CC1)CCOC(=O)C(C)C1C=CC=C2C=CC=CC2=1"	"InChI=1S/C34H38N2O4/c1-25(29-15-7-11-27-9-3-5-13-31(27)29)33(37)39-23-21-35-17-19-36(20-18-35)22-24-40-34(38)26(2)30-16-8-12-28-10-4-6-14-32(28)30/h3-16,25-26H,17-24H2,1-2H3"	"ZLFQARCCMWUSQE-UHFFFAOYSA-N"	"Cl.Cl"
"431"	"33509-43-2"	"4-Amino-6-tert-butyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one"	"DTXSID0027981"	"CC(C)(C)C1N=NC(=S)N(N)C1=O"	"InChI=1S/C7H12N4OS/c1-7(2,3)4-5(12)11(8)6(13)10-9-4/h4H,8H2,1-3H3"	"BRJKVQYYNXZRJY-UHFFFAOYSA-N"	"?"
"432"	"60244-55-5"	"Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) O,O-dimethyl ester"	"DTXSID40208987"	"CN1N=CC(OP(=S)(OC)OC)=C(OC)C1=O"	"InChI=1S/C8H13N2O5PS/c1-10-8(11)7(12-2)6(5-9-10)15-16(17,13-3)14-4/h5H,1-4H3"	"KDLATEWVDUMIOW-UHFFFAOYSA-N"	"?"
"433"	"57499-93-1"			"CCCCOCC(C)OCC(C)OCC(C)O"	"InChI=1S/C13H28O4/c1-5-6-7-15-9-12(3)17-10-13(4)16-8-11(2)14/h11-14H,5-10H2,1-4H3"	"LORVPHHKJFSORQ-UHFFFAOYSA-N"	"?"
"434"	"64059-42-3"	"Acetic acid, 2-(8-chloromethyl-1-naphthylthio)-"	"DTXSID50214251"	"OC(=O)CSC1C=CC=C2C=CC=C(CCl)C2=1"	"InChI=1S/C13H11ClO2S/c14-7-10-5-1-3-9-4-2-6-11(13(9)10)17-8-12(15)16/h1-6H,7-8H2,(H,15,16)"	"WKKHPDZWSPRFHX-UHFFFAOYSA-N"	"?"
"435"	"64036-74-4"	"Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)-"	"DTXSID40214023"	"[O-][N+](=O)C1C=C2SC(NC(=O)C3C=CC(=CC=3)[N+]([O-])=O)=NC2=CC=1"	"InChI=1S/C14H8N4O5S/c19-13(8-1-3-9(4-2-8)17(20)21)16-14-15-11-6-5-10(18(22)23)7-12(11)24-14/h1-7H,(H,15,16,19)"	"YBBSIEMORQCPPR-UHFFFAOYSA-N"	"?"
"436"	"81-55-0"	"1,8-Dihydroxy-4,5-dinitroanthraquinone"	"DTXSID0025076"	"[O-][N+](=O)C1=CC=C(O)C2=C1C(=O)C1=C(C2=O)C(O)=CC=C1[N+]([O-])=O"	"InChI=1S/C14H6N2O8/c17-7-3-1-5(15(21)22)9-11(7)14(20)12-8(18)4-2-6(16(23)24)10(12)13(9)19/h1-4,17-18H"	"GJCHQJDEYFYWER-UHFFFAOYSA-N"	"?"
"437"	"5581-40-8"			"CN(C)C1CC(C2=CC=CC=C21)C1C=CC=CC=1"	"InChI=1S/C17H19N/c1-18(2)17-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-11,16-17H,12H2,1-2H3"	"GAVBHVRHVQMWEI-UHFFFAOYSA-N"	"?"
"438"	"13286-32-3"	"Phosphorothioic acid, O,O-diethyl S-(phenylmethyl) ester"	"DTXSID0074502"	"CCOP(=O)(OCC)SCC1C=CC=CC=1"	"InChI=1S/C11H17O3PS/c1-3-13-15(12,14-4-2)16-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3"	"XFMJUIKWKVJNDY-UHFFFAOYSA-N"	"?"
"439"	"589-16-2"	"4-Ethylaniline"	"DTXSID0022066"	"CCC1C=CC(N)=CC=1"	"InChI=1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3"	"HRXZRAXKKNUKRF-UHFFFAOYSA-N"	"?"
"440"	"122-80-5"	"4-Aminoacetanilide"	"DTXSID7024455"	"CC(=O)NC1C=CC(N)=CC=1"	"InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)"	"CHMBIJAOCISYEW-UHFFFAOYSA-N"	"?"
"441"	"4364-06-1"	"Benzene, (3,3-dimethoxy-1-propenyl)-"	"DTXSID1063433"	"COC(C=CC1C=CC=CC=1)OC"	"InChI=1S/C11H14O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3"	"MBAOABFNWSOOLU-UHFFFAOYSA-N"	"?"
"442"	"51287-66-2"	"Benphosformine"	"DTXSID30199279"	"N/C(/N/C(/N)=N/P(O)(O)=O)=N\CC1C=CC=CC=1"	"InChI=1S/C9H14N5O3P/c10-8(13-9(11)14-18(15,16)17)12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H7,10,11,12,13,14,15,16,17)"	"VZIKPPVTSPAWEC-UHFFFAOYSA-N"	"[Na+]"
"443"	"110-06-5"	"t-Butyl disulfide"	"DTXSID0021913"	"CC(C)(C)SSC(C)(C)C"	"InChI=1S/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H3"	"BKCNDTDWDGQHSD-UHFFFAOYSA-N"	"?"
"444"	"1582-09-8"	"Trifluralin"	"DTXSID4021395"	"CCCN(CCC)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3"	"ZSDSQXJSNMTJDA-UHFFFAOYSA-N"	"?"
"445"	"111-55-7"	"1,2-Ethanediol diacetate"	"DTXSID0026880"	"CC(=O)OCCOC(C)=O"	"InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3"	"JTXMVXSTHSMVQF-UHFFFAOYSA-N"	"?"
"446"	"105-60-2"	"Caprolactam"	"DTXSID4020240"	"O=C1CCCCCN1"	"InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)"	"JBKVHLHDHHXQEQ-UHFFFAOYSA-N"	"?"
"447"	"1319-80-8"			"CC1(C)C(=C)C2(Cl)C(Cl)(Cl)C1(Cl)C(Cl)(Cl)C2(Cl)Cl"	"InChI=1S/C10H8Cl8/c1-4-5(2,3)7(12)8(13,14)6(4,11)9(15,16)10(7,17)18/h1H2,2-3H3"	"LVJGHULVGIFLAE-UHFFFAOYSA-N"	"?"
"448"	"124-68-5"	"2-Amino-2-methylpropan-1-ol"	"DTXSID8027032"	"CC(C)(N)CO"	"InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3"	"CBTVGIZVANVGBH-UHFFFAOYSA-N"	"?"
"449"	"33235-96-0"			"CCOC(C1NCCCN=1)C1=CC(Cl)=C(Cl)C=C1"	"InChI=1S/C13H16Cl2N2O/c1-2-18-12(13-16-6-3-7-17-13)9-4-5-10(14)11(15)8-9/h4-5,8,12H,2-3,6-7H2,1H3,(H,16,17)"	"KWYDMASCDYCJRP-UHFFFAOYSA-N"	"?"
"450"	"2520-60-7"	"2-(3-Methyl-2-butenyl)cyclopentanone"	"DTXSID0025579"	"CC(C)=CCC1CCCC1=O"	"InChI=1S/C10H16O/c1-8(2)6-7-9-4-3-5-10(9)11/h6,9H,3-5,7H2,1-2H3"	"NKESYZVOSBUNKQ-UHFFFAOYSA-N"	"?"
"451"	"106-96-7"	"Propargyl bromide"	"DTXSID3042340"	"C#CCBr"	"InChI=1S/C3H3Br/c1-2-3-4/h1H,3H2"	"YORCIIVHUBAYBQ-UHFFFAOYSA-N"	"?"
"452"	"2828-42-4"	"Proximphan"	"DTXSID70182529"	"CC(C)=NOC(=O)NC1C=CC=CC=1"	"InChI=1S/C10H12N2O2/c1-8(2)12-14-10(13)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,13)"	"LATYTXGNKNKTDS-UHFFFAOYSA-N"	"?"
"453"	"101903-30-4"	"Pefurazoate"	"DTXSID4057920"	"CCC(C(=O)OCCCC=C)N(CC1=CC=CO1)C(=O)N1C=NC=C1"	"InChI=1S/C18H23N3O4/c1-3-5-6-11-25-17(22)16(4-2)21(13-15-8-7-12-24-15)18(23)20-10-9-19-14-20/h3,7-10,12,14,16H,1,4-6,11,13H2,2H3"	"WBTYBAGIHOISOQ-UHFFFAOYSA-N"	"?"
"454"	"1322-78-7"			"CC1C=CC=C(C(=O)C2C=CC=CC=2)C=1C"	"InChI=1S/C15H14O/c1-11-7-6-10-14(12(11)2)15(16)13-8-4-3-5-9-13/h3-10H,1-2H3"	"ZSQCNVWYBBKUHS-UHFFFAOYSA-N"	"?"
"455"	"926-64-7"	"Dimethylaminoacetonitrile"	"DTXSID0073241"	"CN(C)CC#N"	"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3"	"PLXBWEPPAAQASG-UHFFFAOYSA-N"	"?"
"456"	"72490-01-8"	"Fenoxycarb"	"DTXSID7032393"	"CCOC(=O)NCCOC1C=CC(=CC=1)OC1C=CC=CC=1"	"InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)"	"HJUFTIJOISQSKQ-UHFFFAOYSA-N"	"?"
"457"	"123-38-6"	"Propanal"	"DTXSID2021658"	"CCC=O"	"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3"	"NBBJYMSMWIIQGU-UHFFFAOYSA-N"	"?"
"458"	"69002-86-4"	"4',5-Dihydroxydiclofenac"	"DTXSID70219061"	"OC1C=C(CC(O)=O)C(=CC=1)NC1C(Cl)=CC(O)=CC=1Cl"	"InChI=1S/C14H11Cl2NO4/c15-10-5-9(19)6-11(16)14(10)17-12-2-1-8(18)3-7(12)4-13(20)21/h1-3,5-6,17-19H,4H2,(H,20,21)"	"DRZFITWJHHNHAD-UHFFFAOYSA-N"	"?"
"459"	"63449-47-8"	"Silicic acid (H4SiO4), tetrakis(1,1-dimethylpentyl) ester"	"DTXSID6069822"	"CC(C)(CCCC)O[Si](OC(C)(C)CCCC)(OC(C)(C)CCCC)OC(C)(C)CCCC"	"InChI=1S/C28H60O4Si/c1-13-17-21-25(5,6)29-33(30-26(7,8)22-18-14-2,31-27(9,10)23-19-15-3)32-28(11,12)24-20-16-4/h13-24H2,1-12H3"	"NLIBZFFYKXCPHD-UHFFFAOYSA-N"	"?"
"460"	"74-11-3"	"4-Chlorobenzoic acid"	"DTXSID9024772"	"OC(=O)C1C=CC(Cl)=CC=1"	"InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)"	"XRHGYUZYPHTUJZ-UHFFFAOYSA-N"	"?"
"461"	"13344-50-8"	"N-Nitrososarcosine ethyl ester"	"DTXSID40158110"	"CCOC(=O)CN(C)N=O"	"InChI=1S/C5H10N2O3/c1-3-10-5(8)4-7(2)6-9/h3-4H2,1-2H3"	"IIGUXNQRQSATOU-UHFFFAOYSA-N"	"?"
"462"	"143343-83-3"	"Toborinone"	"DTXSID3048813"	"COC1C=C(CNCC(O)COC2C=C3C=CC(=O)NC3=CC=2)C=CC=1OC"	"InChI=1S/C21H24N2O5/c1-26-19-7-3-14(9-20(19)27-2)11-22-12-16(24)13-28-17-5-6-18-15(10-17)4-8-21(25)23-18/h3-10,16,22,24H,11-13H2,1-2H3,(H,23,25)"	"BYKYPZBCMBEEGU-UHFFFAOYSA-N"	"?"
"463"	"30560-37-3"			"CCOP(=O)(NC(C)=O)SC"	"InChI=1S/C5H12NO3PS/c1-4-9-10(8,11-3)6-5(2)7/h4H2,1-3H3,(H,6,7,8)"	"KXSBQOAMGUEKGP-UHFFFAOYSA-N"	"?"
"464"	"28652-72-4"	"Methyl biphenyl, mixed isomers"	"DTXSID0025575"	"CC1=CC=CC=C1C1C=CC=CC=1"	"InChI=1S/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3"	"ALLIZEAXNXSFGD-UHFFFAOYSA-N"	"?"
"465"	"63907-08-4"			"OC(C1=CC2C3C(C1C2=C(C1C=CC=CN=1)C1C=CC=CC=1)C(=O)NC3=O)(C1C=CC=CN=1)C1C=CC=CC=1"	"InChI=1S/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)"	"DNTHHIVFNQZZRD-UHFFFAOYSA-N"	"Cl"
"466"	"83-59-0"	"Propyl isome"	"DTXSID0021202"	"CC1CC2C=C3OCOC3=CC=2C(C1C(=O)OCCC)C(=O)OCCC"	"InChI=1S/C20H26O6/c1-4-6-23-19(21)17-12(3)8-13-9-15-16(26-11-25-15)10-14(13)18(17)20(22)24-7-5-2/h9-10,12,17-18H,4-8,11H2,1-3H3"	"UEKQGZQLUMSLNW-UHFFFAOYSA-N"	"?"
"467"	"311-89-7"	"Perfluorotributylamine"	"DTXSID0027141"	"FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33"	"RVZRBWKZFJCCIB-UHFFFAOYSA-N"	"?"
"468"	"10140-97-3"	"Styrene, alpha-chloro-p-nitro-"	"DTXSID10143912"	"C=C(Cl)C1C=CC(=CC=1)[N+]([O-])=O"	"InChI=1S/C8H6ClNO2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-5H,1H2"	"XTDAYGDHDWTKHX-UHFFFAOYSA-N"	"?"
"469"	"2636-26-2"	"Cyanophos"	"DTXSID0041806"	"COP(=S)(OC1C=CC(=CC=1)C#N)OC"	"InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3"	"SCKHCCSZFPSHGR-UHFFFAOYSA-N"	"?"
"470"	"368-47-8"	"Silane, phenyltrifluoro-"	"DTXSID90190267"	"F[Si](F)(F)C1C=CC=CC=1"	"InChI=1S/C6H5F3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H"	"KGWNTHHPMKEAIK-UHFFFAOYSA-N"	"?"
"471"	"590-18-1"	"2-Butene, (2Z)-"	"DTXSID0027224"	"CC=CC"	"InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3"	"IAQRGUVFOMOMEM-UHFFFAOYSA-N"	"?"
"472"	"33629-47-9"	"Butralin"	"DTXSID3032337"	"CCC(C)NC1C(=CC(=CC=1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O"	"InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3"	"SPNQRCTZKIBOAX-UHFFFAOYSA-N"	"?"
"473"	"15827-60-8"	"Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-"	"DTXSID0027775"	"OP(O)(=O)CN(CCN(CP(O)(O)=O)CP(O)(O)=O)CCN(CP(O)(O)=O)CP(O)(O)=O"	"InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)"	"DUYCTCQXNHFCSJ-UHFFFAOYSA-N"	"?"
"474"	"80-05-7"	"Bisphenol A"	"DTXSID7020182"	"CC(C)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1"	"InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3"	"IISBACLAFKSPIT-UHFFFAOYSA-N"	"?"
"475"	"95-25-0"	"Chlorzoxazone"	"DTXSID9022813"	"O=C1NC2=CC(Cl)=CC=C2O1"	"InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)"	"TZFWDZFKRBELIQ-UHFFFAOYSA-N"	"?"
"476"	"140-67-0"	"Estragole"	"DTXSID0020575"	"COC1C=CC(CC=C)=CC=1"	"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3"	"ZFMSMUAANRJZFM-UHFFFAOYSA-N"	"?"
"477"	"36431-22-8"	"Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methyl-"	"DTXSID0027989"	"CC1C=C(C)C=CC=1NC1=CC2=C(C=C1C)OC1C=C(C=CC=1C12OC(=O)C2C=CC=CC1=2)N(CC)CC"	"InChI=1S/C33H32N2O3/c1-6-35(7-2)23-13-14-26-31(18-23)37-30-17-22(5)29(34-28-15-12-20(3)16-21(28)4)19-27(30)33(26)25-11-9-8-10-24(25)32(36)38-33/h8-19,34H,6-7H2,1-5H3"	"GFGSEGIRJFDXFP-UHFFFAOYSA-N"	"?"
"478"	"1929-77-7"	"Vernolate"	"DTXSID7024376"	"CCCSC(=O)N(CCC)CCC"	"InChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3"	"OKUGPJPKMAEJOE-UHFFFAOYSA-N"	"?"
"479"	"16339-04-1"	"Diethylamine, 1-methyl-N-nitroso-"	"DTXSID10167572"	"CCN(N=O)C(C)C"	"InChI=1S/C5H12N2O/c1-4-7(6-8)5(2)3/h5H,4H2,1-3H3"	"VGGZTNNNXAUZLB-UHFFFAOYSA-N"	"?"
"480"	"83881-52-1"	"Cetirizine dihydrochloride"	"DTXSID2044268"	"OC(=O)COCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)"	"ZKLPARSLTMPFCP-UHFFFAOYSA-N"	"Cl.Cl"
"481"	"946578-00-3"	"Cyanamide, N-[methyloxido[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-?4-sulfanylidene]-"	"DTXSID0074687"	"CC(C1C=NC(=CC=1)C(F)(F)F)S(C)(=O)=NC#N"	"InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3"	"ZVQOOHYFBIDMTQ-UHFFFAOYSA-N"	"?"
"482"	"104-15-4"	"4-Methylbenzenesulfonic acid"	"DTXSID0026701"	"CC1=CC=C(C=C1)S(O)(=O)=O"	"InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)"	"JOXIMZWYDAKGHI-UHFFFAOYSA-N"	"?"
"483"	"1174-72-7"	"Tetraphenoxysilane"	"DTXSID0026129"	"C1=CC=CC=C1O[Si](OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"InChI=1S/C24H20O4Si/c1-5-13-21(14-6-1)25-29(26-22-15-7-2-8-16-22,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24/h1-20H"	"ADLSSRLDGACTEX-UHFFFAOYSA-N"	"?"
"484"	"78-84-2"	"2-Methylpropanal"	"DTXSID9021635"	"CC(C)C=O"	"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3"	"AMIMRNSIRUDHCM-UHFFFAOYSA-N"	"?"
"485"	"55-52-7"	"Pheniprazine"	"DTXSID6043838"	"CC(CC1C=CC=CC=1)NN"	"InChI=1S/C9H14N2/c1-8(11-10)7-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3"	"VXTWEDPZMSVFEF-UHFFFAOYSA-N"	"?"
"486"	"19932-85-5"	"2-Benzoxazolinone, 6-bromo-"	"DTXSID70173710"	"O=C1NC2C=CC(Br)=CC=2O1"	"InChI=1S/C7H4BrNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)"	"DDNKJFBQMQOIKI-UHFFFAOYSA-N"	"?"
"487"	"4356-60-9"	"2-Imidazolidinone, 4,5-dimethoxy-1,3-bis(methoxymethyl)-"	"DTXSID0027569"	"COCN1C(OC)C(OC)N(COC)C1=O"	"InChI=1S/C9H18N2O5/c1-13-5-10-7(15-3)8(16-4)11(6-14-2)9(10)12/h7-8H,5-6H2,1-4H3"	"ZSSJQYMNCUJSBR-UHFFFAOYSA-N"	"?"
"488"	"1633-83-6"	"1,2-Oxathiane, 2,2-dioxide"	"DTXSID4061836"	"O=S1(=O)CCCCO1"	"InChI=1S/C4H8O3S/c5-8(6)4-2-1-3-7-8/h1-4H2"	"MHYFEEDKONKGEB-UHFFFAOYSA-N"	"?"
"489"	"2752-17-2"	"2,2'-Oxybis(ethylamine)"	"DTXSID7041914"	"NCCOCCN"	"InChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2"	"GXVUZYLYWKWJIM-UHFFFAOYSA-N"	"?"
"490"	"909-39-7"	"Opipramol dihydrochloride"	"DTXSID5045752"	"OCCN1CCN(CCCN2C3C=CC=CC=3C=CC3C=CC=CC2=3)CC1"	"InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2"	"YNZFUWZUGRBMHL-UHFFFAOYSA-N"	"Cl.Cl"
"491"	"5581-45-3"	"Metoclopramide dihydrochloride monohydrate"	"DTXSID50204394"	"COC1C=C(N)C(Cl)=CC=1C(=O)NCCN(CC)CC"	"InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)"	"TTWJBBZEZQICBI-UHFFFAOYSA-N"	"Cl.Cl.O"
"492"	"5165-97-9"	"2-Acrylamido-2-methylpropanesulphonate sodium salt"	"DTXSID2027591"	"CC(C)(CS(O)(=O)=O)NC(=O)C=C"	"InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)"	"XHZPRMZZQOIPDS-UHFFFAOYSA-N"	"[Na+]"
"493"	"96-26-4"	"Dihydroxyacetone"	"DTXSID0025072"	"CC(O)C(O)=O"	"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)"	"JVTAAEKCZFNVCJ-UHFFFAOYSA-N"	"?"
"494"	"1955-45-9"	"Pivalolactone"	"DTXSID0021171"	"CC1(C)COC1=O"	"InChI=1S/C5H8O2/c1-5(2)3-7-4(5)6/h3H2,1-2H3"	"ULKFLOVGORAZDI-UHFFFAOYSA-N"	"?"
"495"	"2173-57-1"	"Isobutyl 2-naphthyl ether"	"DTXSID1051484"	"CC(C)COC1=CC2=CC=CC=C2C=C1"	"InChI=1S/C14H16O/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3"	"XOHIHZHSDMWWMS-UHFFFAOYSA-N"	"?"
"496"	"875-83-2"	"2-Naphthol sodium salt"	"DTXSID20236369"	"OC1=CC2=CC=CC=C2C=C1"	"InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H"	"JWAZRIHNYRIHIV-UHFFFAOYSA-N"	"[Na+]"
"497"	"97-84-7"	"N,N,N',N'-Tetramethyl-1,3-butanediamine"	"DTXSID0026121"	"CN(C)CCC(C)N(C)C"	"InChI=1S/C8H20N2/c1-8(10(4)5)6-7-9(2)3/h8H,6-7H2,1-5H3"	"AXFVIWBTKYFOCY-UHFFFAOYSA-N"	"?"
"498"	"509-09-1"	"Propanoic acid, 2,2,3,3,3-pentafluoro-, silver(1+) salt (1:1)"	"DTXSID00883411"	"OC(=O)C(F)(F)C(F)(F)F"	"InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)"	"LRMSQVBRUNSOJL-UHFFFAOYSA-N"	"[Ag+]"
"499"	"100-75-4"	"N-Nitrosopiperidine"	"DTXSID8021060"	"O=NN1CCCCC1"	"InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2"	"UWSDONTXWQOZFN-UHFFFAOYSA-N"	"?"
"500"	"1455-77-2"	"Guanazole"	"DTXSID0025367"	"NC1NC(N)=NN=1"	"InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)"	"PKWIYNIDEDLDCJ-UHFFFAOYSA-N"	"?"
"501"	"424-40-8"	"Pentanedioic acid, hexafluoro-, diethyl ester"	"DTXSID3059977"	"CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC"	"InChI=1S/C9H10F6O4/c1-3-18-5(16)7(10,11)9(14,15)8(12,13)6(17)19-4-2/h3-4H2,1-2H3"	"MSDPXVBLFJODJO-UHFFFAOYSA-N"	"?"
"502"	"123-51-3"	"Isopentyl alcohol"	"DTXSID3025469"	"CC(C)CCO"	"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3"	"PHTQWCKDNZKARW-UHFFFAOYSA-N"	"?"
"503"	"51337-71-4"	"Clofop-isobutyl"	"DTXSID3041792"	"CC(C)COC(=O)C(C)OC1C=CC(=CC=1)OC1C=CC(Cl)=CC=1"	"InChI=1S/C19H21ClO4/c1-13(2)12-22-19(21)14(3)23-16-8-10-18(11-9-16)24-17-6-4-15(20)5-7-17/h4-11,13-14H,12H2,1-3H3"	"XNBRPBFBBCFVEH-UHFFFAOYSA-N"	"?"
"504"	"7337-45-3"			"CC(C)(C)N"	"InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3"	"YBRBMKDOPFTVDT-UHFFFAOYSA-N"	"B"
"505"	"124-07-2"	"Octanoic acid"	"DTXSID3021645"	"CCCCCCCC(O)=O"	"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)"	"WWZKQHOCKIZLMA-UHFFFAOYSA-N"	"?"
"506"	"134880-75-4"	"Benzamide, 3,5-bis(trifluoromethyl)-, N-(5-chloro-4-(trifluoromethyl)-2-thiazolyl)-N-methyl-"	"DTXSID80159020"	"CN(C(=O)C1C=C(C=C(C=1)C(F)(F)F)C(F)(F)F)C1=NC(=C(Cl)S1)C(F)(F)F"	"InChI=1S/C14H6ClF9N2OS/c1-26(11-25-8(9(15)28-11)14(22,23)24)10(27)5-2-6(12(16,17)18)4-7(3-5)13(19,20)21/h2-4H,1H3"	"QXRSIENXVRAUPR-UHFFFAOYSA-N"	"?"
"507"	"64294-94-6"			"NNC(=O)OC1CC2CCC(C1)N2C(=O)OC1C=CC=CC=1"	"InChI=1S/C15H19N3O4/c16-17-14(19)21-13-8-10-6-7-11(9-13)18(10)15(20)22-12-4-2-1-3-5-12/h1-5,10-11,13H,6-9,16H2,(H,17,19)"	"SGSSRQHQTWWMIF-UHFFFAOYSA-N"	"?"
"508"	"123-96-6"	"2-Octanol"	"DTXSID0027014"	"CCCCCCC(C)O"	"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3"	"SJWFXCIHNDVPSH-UHFFFAOYSA-N"	"?"
"509"	"34443-12-4"	"tert-Butylperoxy 2-ethylhexyl carbonate"	"DTXSID2044921"	"CCC(COC(=O)OOC(C)(C)C)CCCC"	"InChI=1S/C13H26O4/c1-6-8-9-11(7-2)10-15-12(14)16-17-13(3,4)5/h11H,6-10H2,1-5H3"	"BRQMAAFGEXNUOL-UHFFFAOYSA-N"	"?"
"510"	"112-40-3"	"Dodecane"	"DTXSID0026913"	"CCCCCCCCCCCC"	"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3"	"SNRUBQQJIBEYMU-UHFFFAOYSA-N"	"?"
"511"	"1126-79-0"	"Butyl phenyl ether"	"DTXSID0022149"	"CCCCOC1C=CC=CC=1"	"InChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3"	"YFNONBGXNFCTMM-UHFFFAOYSA-N"	"?"
"512"	"108-42-9"	"3-Chloroaniline"	"DTXSID0024761"	"NC1=CC(Cl)=CC=C1"	"InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2"	"PNPCRKVUWYDDST-UHFFFAOYSA-N"	"?"
"513"	"104-68-7"	"Diethylene glycol monophenyl ether"	"DTXSID0051528"	"OCCOCCOC1C=CC=CC=1"	"InChI=1S/C10H14O3/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,11H,6-9H2"	"ZUAURMBNZUCEAF-UHFFFAOYSA-N"	"?"
"514"	"70374-39-9"	"Lornoxicam"	"DTXSID6046133"	"CN1C(C(=O)NC2=CC=CC=N2)C(=O)C2SC(Cl)=CC=2S1(=O)=O"	"InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,10H,1H3,(H,15,16,19)"	"QOFQTBTZCJVITI-UHFFFAOYSA-N"	"?"
"515"	"1746-23-2"	"4-tert-Butylstyrene"	"DTXSID0022305"	"CC(C)(C)C1C=CC(C=C)=CC=1"	"InChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3"	"QEDJMOONZLUIMC-UHFFFAOYSA-N"	"?"
"516"	"41826-92-0"	"Trepibutone"	"DTXSID6046634"	"CCOC1=CC(=C(C=C1OCC)OCC)C(=O)CCC(O)=O"	"InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)"	"YPTFHLJNWSJXKG-UHFFFAOYSA-N"	"?"
"517"	"55268-74-1"	"Praziquantel"	"DTXSID9021182"	"O=C(C1CCCCC1)N1CC2C3C=CC=CC=3CCN2C(=O)C1"	"InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2"	"FSVJFNAIGNNGKK-UHFFFAOYSA-N"	"?"
"518"	"76-06-2"	"Chloropicrin"	"DTXSID0020315"	"[O-][N+](=O)C(Cl)(Cl)Cl"	"InChI=1S/CCl3NO2/c2-1(3,4)5(6)7"	"LFHISGNCFUNFFM-UHFFFAOYSA-N"	"?"
"519"	"3818-90-4"	"Succinic acid, alpha-butyl-p-chlorobenzyl ester"	"DTXSID40191567"	"OC(=O)CCC(=O)OCCCCCC1C=CC(Cl)=CC=1"	"InChI=1S/C15H19ClO4/c16-13-7-5-12(6-8-13)4-2-1-3-11-20-15(19)10-9-14(17)18/h5-8H,1-4,9-11H2,(H,17,18)"	"LCPXTPZKKXGDAK-UHFFFAOYSA-N"	"?"
"520"	"53188-07-1"	"2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-"	"DTXSID60866306"	"CC1C2CCC(C)(OC=2C(C)=C(C)C=1O)C(O)=O"	"InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)"	"GLEVLJDDWXEYCO-UHFFFAOYSA-N"	"?"
"521"	"10222-01-2"	"2,2-Dibromo-3-nitrilopropionamide"	"DTXSID5032361"	"NC(=O)C(Br)(Br)C#N"	"InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)"	"UUIVKBHZENILKB-UHFFFAOYSA-N"	"?"
"522"	"91-16-7"	"1,2-Dimethoxybenzene"	"DTXSID7047065"	"COC1C=CC=CC=1OC"	"InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3"	"ABDKAPXRBAPSQN-UHFFFAOYSA-N"	"?"
"523"	"109021-66-1"			"COC1C(=CC=CC=1OC)C(=O)NC1CC2CCC(C1)N2CC1C=CC=CC=1"	"InChI=1S/C23H28N2O3/c1-27-21-10-6-9-20(22(21)28-2)23(26)24-17-13-18-11-12-19(14-17)25(18)15-16-7-4-3-5-8-16/h3-10,17-19H,11-15H2,1-2H3,(H,24,26)"	"PCIWCYUKRZFCMF-UHFFFAOYSA-N"	"Cl"
"524"	"1606-67-3"	"1-Aminopyrene"	"DTXSID3040932"	"NC1C=CC2C=CC3C=CC=C4C=CC=1C=2C=34"	"InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2"	"YZVWKHVRBDQPMQ-UHFFFAOYSA-N"	"?"
"525"	"13256-07-0"	"N-Amyl-N-methylnitrosamine"	"DTXSID30157617"	"CCCCCN(C)N=O"	"InChI=1S/C6H14N2O/c1-3-4-5-6-8(2)7-9/h3-6H2,1-2H3"	"KSFCDINBDBFFSI-UHFFFAOYSA-N"	"?"
"526"	"137927-73-2"	"Acetic acid, ((6-phenoxy-4-pyrimidinyl)thio)-, hydrazide"	"DTXSID40160399"	"NNC(=O)CSC1C=C(N=CN=1)OC1C=CC=CC=1"	"InChI=1S/C12H12N4O2S/c13-16-10(17)7-19-12-6-11(14-8-15-12)18-9-4-2-1-3-5-9/h1-6,8H,7,13H2,(H,16,17)"	"LNJSSGABUQZOPP-UHFFFAOYSA-N"	"?"
"527"	"5284-22-0"			"CCCCCCCC1C=CC=CC=1O"	"InChI=1S/C13H20O/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h7-8,10-11,14H,2-6,9H2,1H3"	"FIWYWGLEPWBBQU-UHFFFAOYSA-N"	"?"
"528"	"3165-93-3"	"4-Chloro-2-methylaniline hydrochloride"	"DTXSID0020288"	"CC1C=C(Cl)C=CC=1N"	"InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3"	"CXNVOWPRHWWCQR-UHFFFAOYSA-N"	"Cl"
"529"	"937-40-6"	"N-Nitrosomethylbenzylamine"	"DTXSID3041081"	"CN(CC1C=CC=CC=1)N=O"	"InChI=1S/C8H10N2O/c1-10(9-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3"	"NGXUJKBJBFLCAR-UHFFFAOYSA-N"	"?"
"530"	"567-47-5"	"1-Naphthalenesulfonic acid, 2-hydroxy-"	"DTXSID60205256"	"OC1C=CC2C=CC=CC=2C=1S(O)(=O)=O"	"InChI=1S/C10H8O4S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6,11H,(H,12,13,14)"	"SGBQUMZTGSQNAO-UHFFFAOYSA-N"	"?"
"531"	"80834-57-7"			"CC1C=C(C=CC=1)N1CCN(CC=CC2C=C3CCC(=O)NC3=CC=2)CC1"	"InChI=1S/C23H27N3O/c1-18-4-2-6-21(16-18)26-14-12-25(13-15-26)11-3-5-19-7-9-22-20(17-19)8-10-23(27)24-22/h2-7,9,16-17H,8,10-15H2,1H3,(H,24,27)"	"KZQKLDVPEILOPW-UHFFFAOYSA-N"	"?"
"532"	"89194-77-4"	"Bisaramil"	"DTXSID30237569"	"CN1CC2CN(CC(C1)C2OC(=O)C1C=CC(Cl)=CC=1)CC"	"InChI=1S/C17H23ClN2O2/c1-3-20-10-13-8-19(2)9-14(11-20)16(13)22-17(21)12-4-6-15(18)7-5-12/h4-7,13-14,16H,3,8-11H2,1-2H3"	"PMCPYLGCPSNSLS-UHFFFAOYSA-N"	"?"
"533"	"102-01-2"	"Acetoacetanilide"	"DTXSID0024397"	"CC(=O)CC(=O)NC1C=CC=CC=1"	"InChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)"	"DYRDKSSFIWVSNM-UHFFFAOYSA-N"	"?"
"534"	"598-78-7"	"2-Chloropropanoic acid"	"DTXSID0021545"	"CC(Cl)C(O)=O"	"InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)"	"GAWAYYRQGQZKCR-UHFFFAOYSA-N"	"?"
"535"	"14899-36-6"	"Dexamethasone palmitate"	"DTXSID8022903"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)CCCCCCCCCCCCCCC"	"InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3"	"WDPYZTKOEFDTCU-UHFFFAOYSA-N"	"?"
"536"	"110-40-7"	"Diethyl decanedioate"	"DTXSID0021915"	"CCOC(=O)CCCCCCCCC(=O)OCC"	"InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3"	"ONKUXPIBXRRIDU-UHFFFAOYSA-N"	"?"
"537"	"14368-24-2"	"Trocimine"	"DTXSID1046475"	"COC1C=C(C=C(OC)C=1OC)C(=O)N1CCCCCCC1"	"InChI=1S/C17H25NO4/c1-20-14-11-13(12-15(21-2)16(14)22-3)17(19)18-9-7-5-4-6-8-10-18/h11-12H,4-10H2,1-3H3"	"WZSDNEJJUSYNSG-UHFFFAOYSA-N"	"?"
"538"	"3692-90-8"			"CNC(=O)OC1=CC(=CC=C1)OCC#C"	"InChI=1S/C11H11NO3/c1-3-7-14-9-5-4-6-10(8-9)15-11(13)12-2/h1,4-6,8H,7H2,2H3,(H,12,13)"	"QEAULWXPIOSTCA-UHFFFAOYSA-N"	"?"
"539"	"30007-47-7"	"5-Bromo-5-nitro-1,3-dioxane"	"DTXSID1044560"	"[O-][N+](=O)C1(Br)COCOC1"	"InChI=1S/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2"	"XVBRCOKDZVQYAY-UHFFFAOYSA-N"	"?"
"540"	"142-64-3"	"Piperazine dihydrochloride"	"DTXSID4047096"	"C1CNCCN1"	"InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2"	"GLUUGHFHXGJENI-UHFFFAOYSA-N"	"Cl.Cl"
"541"	"2943-75-1"	"Triethoxyoctylsilane"	"DTXSID2029246"	"CCCCCCCC[Si](OCC)(OCC)OCC"	"InChI=1S/C14H32O3Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h5-14H2,1-4H3"	"MSRJTTSHWYDFIU-UHFFFAOYSA-N"	"?"
"542"	"21270-24-6"			"CC(C)C1=CC=C(C=C1)C(C[N+]1C=CC=CC=1)OCCCCC"	"InChI=1S/C21H30NO/c1-4-5-9-16-23-21(17-22-14-7-6-8-15-22)20-12-10-19(11-13-20)18(2)3/h6-8,10-15,18,21H,4-5,9,16-17H2,1-3H3/q+1"	"MXNWLSMTXWYZHQ-UHFFFAOYSA-N"	"[Br-]"
"543"	"63938-14-7"			"OC1=CC=CC=C1C=CC(=O)OC(=O)C=CC1=CC=CC=C1O"	"InChI=1S/C18H14O5/c19-15-7-3-1-5-13(15)9-11-17(21)23-18(22)12-10-14-6-2-4-8-16(14)20/h1-12,19-20H"	"RRNUBUJUSVRJSQ-UHFFFAOYSA-N"	"?"
"544"	"4630-82-4"	"Methyl cyclohexanecarboxylate"	"DTXSID9074303"	"COC(=O)C1CCCCC1"	"InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3"	"ZQWPRMPSCMSAJU-UHFFFAOYSA-N"	"?"
"545"	"35691-65-7"	"1,2-Dibromo-2,4-dicyanobutane"	"DTXSID3024944"	"N#CCCC(Br)(CBr)C#N"	"InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2"	"DHVLDKHFGIVEIP-UHFFFAOYSA-N"	"?"
"546"	"1112-77-2"			"C[N+](CCO)(CC)CC"	"InChI=1S/C7H18NO/c1-4-8(3,5-2)6-7-9/h9H,4-7H2,1-3H3/q+1"	"BKMLGCPWXVBXHY-UHFFFAOYSA-N"	"?"
"547"	"59-02-9"	"Vitamin E"	"DTXSID0026339"	"CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C"	"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3"	"GVJHHUAWPYXKBD-UHFFFAOYSA-N"	"?"
"548"	"115-31-1"	"Thanite"	"DTXSID4040266"	"CC1(C)C2CC(OC(=O)CSC#N)C1(C)CC2"	"InChI=1S/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3"	"IXEVGHXRXDBAOB-UHFFFAOYSA-N"	"?"
"549"	"19952-47-7"	"2-Amino-4-chlorobenzothiazole"	"DTXSID0024470"	"NC1=NC2C(Cl)=CC=CC=2S1"	"InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)"	"OEQQFQXMCPMEIH-UHFFFAOYSA-N"	"?"
"550"	"89427-18-9"	"Benzimidazole, 4,6-dichloro-5-methoxy-2-(trifluoromethyl)-"	"DTXSID30237680"	"COC1C(Cl)=CC2NC(=NC=2C=1Cl)C(F)(F)F"	"InChI=1S/C9H5Cl2F3N2O/c1-17-7-3(10)2-4-6(5(7)11)16-8(15-4)9(12,13)14/h2H,1H3,(H,15,16)"	"YOGWZFUBEGNQLT-UHFFFAOYSA-N"	"?"
"551"	"121-33-5"	"4-Hydroxy-3-methoxybenzaldehyde"	"DTXSID0021969"	"COC1C=C(C=O)C=CC=1O"	"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3"	"MWOOGOJBHIARFG-UHFFFAOYSA-N"	"?"
"552"	"76-90-4"	"Mepenzolate bromide"	"DTXSID4023252"	"C[N+]1(C)CC(CCC1)OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1"	"GKNPSSNBBWDAGH-UHFFFAOYSA-N"	"[Br-]"
"553"	"4553-62-2"	"2-Methylpentanedinitrile"	"DTXSID4025612"	"CC(CCC#N)C#N"	"InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3"	"FPPLREPCQJZDAQ-UHFFFAOYSA-N"	"?"
"554"	"91503-79-6"	"Flurbiprofen axetil"	"DTXSID8048600"	"CC(=O)OC(C)OC(=O)C(C)C1=CC(F)=C(C=C1)C1C=CC=CC=1"	"InChI=1S/C19H19FO4/c1-12(19(22)24-14(3)23-13(2)21)16-9-10-17(18(20)11-16)15-7-5-4-6-8-15/h4-12,14H,1-3H3"	"ALIVXCSEERJYHU-UHFFFAOYSA-N"	"?"
"555"	"67747-09-5"	"Prochloraz"	"DTXSID4024270"	"CCCN(CCOC1C(Cl)=CC(Cl)=CC=1Cl)C(=O)N1C=CN=C1"	"InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3"	"TVLSRXXIMLFWEO-UHFFFAOYSA-N"	"?"
"556"	"28188-24-1"	"Octadecanoic acid, 2-(hydroxymethyl)-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl ester"	"DTXSID0027939"	"CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC"	"InChI=1S/C59H114O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(61)64-53-59(52-60,54-65-57(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-66-58(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h60H,4-55H2,1-3H3"	"FWCDLNRNBHJDQB-UHFFFAOYSA-N"	"?"
"557"	"65-86-1"	"Orotic acid"	"DTXSID0025814"	"OC1N=C(O)C=C(N=1)C(O)=O"	"InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)"	"PXQPEWDEAKTCGB-UHFFFAOYSA-N"	"?"
"558"	"14617-95-9"	"Butyric acid, p-methoxyphenyl ester"	"DTXSID00163280"	"COC1=CC=C(C=C1)OC(=O)CCC"	"InChI=1S/C11H14O3/c1-3-4-11(12)14-10-7-5-9(13-2)6-8-10/h5-8H,3-4H2,1-2H3"	"NMHGWSBHBWGJNC-UHFFFAOYSA-N"	"?"
"559"	"532-82-1"	"C.I. Basic Oange 2"	"DTXSID0024559"	"NC1C=C(N)C(=CC=1)N=NC1C=CC=CC=1"	"InChI=1S/C12H12N4/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10/h1-8H,13-14H2"	"IWRVPXDHSLTIOC-UHFFFAOYSA-N"	"Cl"
"560"	"119-64-2"	"Tetralin"	"DTXSID1026118"	"C1CCCC2C=CC=CC=21"	"InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2"	"CXWXQJXEFPUFDZ-UHFFFAOYSA-N"	"?"
"561"	"51-50-3"	"Dibenamine"	"DTXSID20199001"	"ClCCN(CC1C=CC=CC=1)CC1C=CC=CC=1"	"InChI=1S/C16H18ClN/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2"	"GSLWSSUWNCJILM-UHFFFAOYSA-N"	"?"
"562"	"21270-09-7"			"CCCCOC(CBr)C1C=CC(=CC=1)C1CCCC1"	"InChI=1S/C17H25BrO/c1-2-3-12-19-17(13-18)16-10-8-15(9-11-16)14-6-4-5-7-14/h8-11,14,17H,2-7,12-13H2,1H3"	"IOUWQAOZAPRBBY-UHFFFAOYSA-N"	"?"
"563"	"102-96-5"	"beta-Nitrostyrene"	"DTXSID0025789"	"[O-][N+](=O)C=CC1C=CC=CC=1"	"InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H"	"PIAOLBVUVDXHHL-UHFFFAOYSA-N"	"?"
"564"	"39718-89-3"			"CC(=C)CNC1C=CC(=CC=1)C(C)C(O)=O"	"InChI=1S/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16)"	"FPHLBGOJWPEVME-UHFFFAOYSA-N"	"?"
"565"	"50782-69-9"	"Phosphonothioic acid, P-methyl-, S-[2-[bis(1-methylethyl)amino]ethyl] O-ethyl ester"	"DTXSID80866161"	"CCOP(C)(=O)SCCN(C(C)C)C(C)C"	"InChI=1S/C11H26NO2PS/c1-7-14-15(6,13)16-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3"	"JJIUCEJQJXNMHV-UHFFFAOYSA-N"	"?"
"566"	"3070-19-7"	"Ethyl chlorthion"	"DTXSID40184732"	"CCOP(=S)(OC1C=C(Cl)C(=CC=1)[N+]([O-])=O)OCC"	"InChI=1S/C10H13ClNO5PS/c1-3-15-18(19,16-4-2)17-8-5-6-10(12(13)14)9(11)7-8/h5-7H,3-4H2,1-2H3"	"BDLIWEUZZIHMSW-UHFFFAOYSA-N"	"?"
"567"	"123277-32-7"	"Propanoic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide"	"DTXSID00153924"	"CN1C(=C(OC(=O)C(C)(C)C)C2SC(Cl)=CC=2S1(=O)=O)C(=O)NC1C=CC=CN=1"	"InChI=1S/C18H18ClN3O5S2/c1-18(2,3)17(24)27-14-13(16(23)21-12-7-5-6-8-20-12)22(4)29(25,26)10-9-11(19)28-15(10)14/h5-9H,1-4H3,(H,20,21,23)"	"TZCNYQCCEUDLQL-UHFFFAOYSA-N"	"?"
"568"	"2588-05-8"	"Phorate oxon sulfoxide"	"DTXSID6042284"	"CCS(=O)CSP(=O)(OCC)OCC"	"InChI=1S/C7H17O4PS2/c1-4-10-12(8,11-5-2)13-7-14(9)6-3/h4-7H2,1-3H3"	"RCRHKXGEYNVPDK-UHFFFAOYSA-N"	"?"
"569"	"1072-52-2"	"1-Aziridineethanol"	"DTXSID0024551"	"OCCN1CC1"	"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2"	"VYONOYYDEFODAJ-UHFFFAOYSA-N"	"?"
"570"	"52-89-1"	"l-Cysteine hydrochloride"	"DTXSID0020367"	"NC(CS)C(O)=O"	"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)"	"XUJNEKJLAYXESH-UHFFFAOYSA-N"	"Cl"
"571"	"116-52-9"	"Dichloralurea"	"DTXSID0041852"	"OC(NC(=O)NC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"	"InChI=1S/C5H6Cl6N2O3/c6-4(7,8)1(14)12-3(16)13-2(15)5(9,10)11/h1-2,14-15H,(H2,12,13,16)"	"PPJXIHLNYDVTDI-UHFFFAOYSA-N"	"?"
"572"	"27007-85-8"	"Spiclomazine hydrochloride"	"DTXSID4023593"	"O=C1CSC2(CCN(CCCN3C4C=CC=CC=4SC4C=CC(Cl)=CC3=4)CC2)N1"	"InChI=1S/C22H24ClN3OS2/c23-16-6-7-20-18(14-16)26(17-4-1-2-5-19(17)29-20)11-3-10-25-12-8-22(9-13-25)24-21(27)15-28-22/h1-2,4-7,14H,3,8-13,15H2,(H,24,27)"	"CFOYBMUYCBSDAL-UHFFFAOYSA-N"	"Cl"
"573"	"4457-71-0"	"3-Methyl-1,5-pentanediol"	"DTXSID1063483"	"CC(CCO)CCO"	"InChI=1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3"	"SXFJDZNJHVPHPH-UHFFFAOYSA-N"	"?"
"574"	"17924-92-4"	"Zearalenone"	"DTXSID0021460"	"CC1CCCC(=O)CCCC=CC2C=C(O)C=C(O)C=2C(=O)O1 |t:10|"	"InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+"	"MBMQEIFVQACCCH-XVNBXDOJSA-N"	"?"
"575"	"2759-28-6"	"1-Benzylpiperazine"	"DTXSID0022197"	"C(C1C=CC=CC=1)N1CCNCC1"	"InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2"	"IQXXEPZFOOTTBA-UHFFFAOYSA-N"	"?"
"576"	"10078-25-8"			"OCCN1CCN(CCCN2C3C=CC=CC=3S(=O)C3C=CC(Cl)=CC2=3)CC1"	"InChI=1S/C21H26ClN3O2S/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)28(21)27)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2"	"WXJXTMQMAOYROI-UHFFFAOYSA-N"	"?"
"577"	"321-14-2"	"Benzoic acid, 5-chloro-2-hydroxy-"	"DTXSID7059806"	"OC1C=CC(Cl)=CC=1C(O)=O"	"InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)"	"NKBASRXWGAGQDP-UHFFFAOYSA-N"	"?"
"578"	"50-84-0"	"2,4-Dichlorobenzoic acid"	"DTXSID0024977"	"OC(=O)C1=CC=C(Cl)C=C1Cl"	"InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)"	"ATCRIUVQKHMXSH-UHFFFAOYSA-N"	"?"
"579"	"146-04-3"	"Oosponol"	"DTXSID80163248"	"OC1=CC=CC2=C1C(=O)OC=C2C(=O)CO"	"InChI=1S/C11H8O5/c12-4-9(14)7-5-16-11(15)10-6(7)2-1-3-8(10)13/h1-3,5,12-13H,4H2"	"WRIZJEREXIDJCC-UHFFFAOYSA-N"	"?"
"580"	"526-18-1"	"Osalmid"	"DTXSID0042244"	"OC1C=CC(=CC=1)NC(=O)C1C=CC=CC=1O"	"InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)"	"LGCMKPRGGJRYGM-UHFFFAOYSA-N"	"?"
"581"	"85095-77-8"			"OC(CN1CCCN(CC(O)CCl)C2C=CC=CC1=2)CCl"	"InChI=1S/C15H22Cl2N2O2/c16-8-12(20)10-18-6-3-7-19(11-13(21)9-17)15-5-2-1-4-14(15)18/h1-2,4-5,12-13,20-21H,3,6-11H2"	"IEASBLZEYIZUMU-UHFFFAOYSA-N"	"?"
"582"	"90932-92-6"	"Alfa-1081"	"DTXSID40238325"	"CC(C)(OC1C=CC(=CC=1)C(=O)C1C=CC(Cl)=CC=1)C(=O)NCCS(O)(=O)=O"	"InChI=1S/C19H20ClNO6S/c1-19(2,18(23)21-11-12-28(24,25)26)27-16-9-5-14(6-10-16)17(22)13-3-7-15(20)8-4-13/h3-10H,11-12H2,1-2H3,(H,21,23)(H,24,25,26)"	"IYNIXDBLAVOMAW-UHFFFAOYSA-N"	"?"
"583"	"150-78-7"	"Hydroquinone dimethyl ether"	"DTXSID0022014"	"COC1C=CC(=CC=1)OC"	"InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3"	"OHBQPCCCRFSCAX-UHFFFAOYSA-N"	"?"
"584"	"6452-87-5"	"(1,1'-Biphenyl)-4-ol, 3-(4-morpholinylmethyl)-"	"DTXSID50214791"	"OC1C=CC(=CC=1CN1CCOCC1)C1C=CC=CC=1"	"InChI=1S/C17H19NO2/c19-17-7-6-15(14-4-2-1-3-5-14)12-16(17)13-18-8-10-20-11-9-18/h1-7,12,19H,8-11,13H2"	"PHJXERQRCZRIMZ-UHFFFAOYSA-N"	"?"
"585"	"13593-08-3"	"Quinalphos-methyl"	"DTXSID0057964"	"COP(=S)(OC1=CN=C2C=CC=CC2=N1)OC"	"InChI=1S/C10H11N2O3PS/c1-13-16(17,14-2)15-10-7-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3"	"RNGDKAQQWUYBAS-UHFFFAOYSA-N"	"?"
"586"	"119-61-9"	"Benzophenone"	"DTXSID0021961"	"O=C(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H"	"RWCCWEUUXYIKHB-UHFFFAOYSA-N"	"?"
"587"	"111-11-5"	"Methyl octanoate"	"DTXSID2026864"	"CCCCCCCC(=O)OC"	"InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3"	"JGHZJRVDZXSNKQ-UHFFFAOYSA-N"	"?"
"588"	"39236-85-6"	"6-Hexyl-m-cresol"	"DTXSID60192495"	"CC1C=CC(CCCCCC)=C(O)C=1"	"InChI=1S/C13H20O/c1-3-4-5-6-7-12-9-8-11(2)10-13(12)14/h8-10,14H,3-7H2,1-2H3"	"DYXAQDSLRRVGHL-UHFFFAOYSA-N"	"?"
"589"	"1218-34-4"	"L-Tryptophan, N-acetyl-"	"DTXSID10883669"	"CC(=O)NC(CC1=CNC2=CC=CC=C21)C(O)=O"	"InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)"	"DZTHIGRZJZPRDV-UHFFFAOYSA-N"	"?"
"590"	"23282-20-4"	"Nivalenol"	"DTXSID3021067"	"CC12C(O)C(O)C(OC3C=C(C)C(=O)C(O)C13CO)C12CO1"	"InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3"	"UKOTXHQERFPCBU-UHFFFAOYSA-N"	"?"
"591"	"91-66-7"	"N,N-Diethylaniline"	"DTXSID8021800"	"CCN(CC)C1C=CC=CC=1"	"InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3"	"GGSUCNLOZRCGPQ-UHFFFAOYSA-N"	"?"
"592"	"54-91-1"	"Pipobroman"	"DTXSID7023485"	"O=C(CCBr)N1CCN(CC1)C(=O)CCBr"	"InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2"	"NJBFOOCLYDNZJN-UHFFFAOYSA-N"	"?"
"593"	"71-55-6"	"1,1,1-Trichloroethane"	"DTXSID0021381"	"CC(Cl)(Cl)Cl"	"InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3"	"UOCLXMDMGBRAIB-UHFFFAOYSA-N"	"?"
"594"	"24279-91-2"	"Carboquone"	"DTXSID8046870"	"CC1C(=O)C(=C(C(COC(N)=O)OC)C(=O)C=1N1CC1)N1CC1"	"InChI=1S/C15H19N3O5/c1-8-11(17-3-4-17)14(20)10(9(22-2)7-23-15(16)21)12(13(8)19)18-5-6-18/h9H,3-7H2,1-2H3,(H2,16,21)"	"SHHKQEUPHAENFK-UHFFFAOYSA-N"	"?"
"595"	"1779-48-2"	"Phenylphosphinic acid"	"DTXSID0027436"	"OP(=O)C1C=CC=CC=1"	"InChI=1S/C6H7O2P/c7-9(8)6-4-2-1-3-5-6/h1-5,9H,(H,7,8)"	"MLCHBQKMVKNBOV-UHFFFAOYSA-N"	"?"
"596"	"622-78-6"	"Benzyl isothiocyanate"	"DTXSID0020155"	"S=C=NCC1C=CC=CC=1"	"InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2"	"MDKCFLQDBWCQCV-UHFFFAOYSA-N"	"?"
"597"	"577-11-7"	"Docusate sodium"	"DTXSID8022959"	"CCC(COC(=O)CC(C(=O)OCC(CCCC)CC)S(O)(=O)=O)CCCC"	"InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)"	"HNSDLXPSAYFUHK-UHFFFAOYSA-N"	"[Na+]"
"598"	"64037-07-6"	"Benzoxazole, 2-amino-5-bromo-"	"DTXSID00214029"	"NC1=NC2C=C(Br)C=CC=2O1"	"InChI=1S/C7H5BrN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)"	"HMRSJGDFTOUVBW-UHFFFAOYSA-N"	"?"
"599"	"127-79-7"	"Sulfamerazine"	"DTXSID0023612"	"CC1=CC=NC(NS(=O)(=O)C2C=CC(N)=CC=2)=N1"	"InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)"	"QPPBRPIAZZHUNT-UHFFFAOYSA-N"	"?"
"600"	"39515-51-0"	"3-Phenoxybenzaldehyde"	"DTXSID3028005"	"O=CC1=CC(=CC=C1)OC1C=CC=CC=1"	"InChI=1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H"	"MRLGCTNJRREZHZ-UHFFFAOYSA-N"	"?"
"601"	"78-19-3"			"C=CC1OCC2(CO1)COC(C=C)OC2"	"InChI=1S/C11H16O4/c1-3-9-12-5-11(6-13-9)7-14-10(4-2)15-8-11/h3-4,9-10H,1-2,5-8H2"	"OOXMQACSWCZQLX-UHFFFAOYSA-N"	"?"
"602"	"56-49-5"	"3-Methylcholanthrene"	"DTXSID0020862"	"CC1C=CC2C=C3C4=CC=CC=C4C=CC3=C3CCC=1C3=2"	"InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3"	"PPQNQXQZIWHJRB-UHFFFAOYSA-N"	"?"
"603"	"547-64-8"	"Methyl 2-hydroxypropanoate"	"DTXSID0027197"	"COC(=O)C(C)O"	"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3"	"LPEKGGXMPWTOCB-UHFFFAOYSA-N"	"?"
"604"	"85-27-8"			"CC(C1C=CC(O)=CC=1O)C1C=CC=CC=1"	"InChI=1S/C14H14O2/c1-10(11-5-3-2-4-6-11)13-8-7-12(15)9-14(13)16/h2-10,15-16H,1H3"	"PQSXNIMHIHYFEE-UHFFFAOYSA-N"	"?"
"605"	"1761-71-3"	"4,4'-Diaminodicyclohexylmethane"	"DTXSID0024921"	"NC1CCC(CC2CCC(N)CC2)CC1"	"InChI=1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2"	"DZIHTWJGPDVSGE-UHFFFAOYSA-N"	"?"
"606"	"88-82-4"	"2,3,5-Triiodobenzoic acid"	"DTXSID4041317"	"OC(=O)C1C=C(I)C=C(I)C=1I"	"InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)"	"ZMZGFLUUZLELNE-UHFFFAOYSA-N"	"?"
"607"	"104907-80-4"	"Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester"	"DTXSID40146830"	"CN1N=CC(=C1N1C=NC2C=CC=CC=2C1=O)C(=O)OCC"	"InChI=1S/C15H14N4O3/c1-3-22-15(21)11-8-17-18(2)13(11)19-9-16-12-7-5-4-6-10(12)14(19)20/h4-9H,3H2,1-2H3"	"ZJXGJCQDPGSRSC-UHFFFAOYSA-N"	"?"
"608"	"32061-14-6"			"C[n]1c(C)c(N=CC2C=CC(=CC=2)OC)c(=O)[n]1C1C=CC=CC=1"	"InChI=1S/C19H19N3O2/c1-14-18(20-13-15-9-11-17(24-3)12-10-15)19(23)22(21(14)2)16-7-5-4-6-8-16/h4-13H,1-3H3"	"ZGXWYJRISPAZPS-UHFFFAOYSA-N"	"?"
"609"	"95-29-4"	"2-Benzothiazolesulfenamide, N,N-bis(1-methylethyl)-"	"DTXSID2026571"	"CC(C)N(SC1=NC2C=CC=CC=2S1)C(C)C"	"InChI=1S/C13H18N2S2/c1-9(2)15(10(3)4)17-13-14-11-7-5-6-8-12(11)16-13/h5-10H,1-4H3"	"ILSQBBRAYMWZLQ-UHFFFAOYSA-N"	"?"
"610"	"665-66-7"	"Amantadine hydrochloride (1:1)"	"DTXSID50874031"	"NC12CC3CC(C1)CC(C2)C3"	"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2"	"DKNWSYNQZKUICI-UHFFFAOYSA-N"	"Cl"
"611"	"15687-27-1"	"Ibuprofen"	"DTXSID5020732"	"CC(C)CC1=CC=C(C=C1)C(C)C(O)=O"	"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)"	"HEFNNWSXXWATRW-UHFFFAOYSA-N"	"?"
"612"	"55837-29-1"			"CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C1C=CC=CC=1"	"InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)"	"FDBWMYOFXWMGEY-UHFFFAOYSA-N"	"?"
"613"	"132-22-9"	"Chlorpheniramine"	"DTXSID0022804"	"CN(C)CCC(C1C=CC=CN=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3"	"SOYKEARSMXGVTM-UHFFFAOYSA-N"	"?"
"614"	"545-06-2"	"Trichloroacetonitrile"	"DTXSID0021672"	"N#CC(Cl)(Cl)Cl"	"InChI=1S/C2Cl3N/c3-2(4,5)1-6"	"DRUIESSIVFYOMK-UHFFFAOYSA-N"	"?"
"615"	"58-08-2"	"Caffeine"	"DTXSID0020232"	"CN1C(=O)C2=C(N=CN2C)N(C)C1=O"	"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3"	"RYYVLZVUVIJVGH-UHFFFAOYSA-N"	"?"
"616"	"3088-31-1"	"Ethanol, 2-[2-(dodecyloxy)ethoxy]-, hydrogen sulfate, sodium salt"	"DTXSID0027519"	"CCCCCCCCCCCCOCCOCCOS(O)(=O)=O"	"InChI=1S/C16H34O6S/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14-21-15-16-22-23(17,18)19/h2-16H2,1H3,(H,17,18,19)"	"CJWXGVNXFJTQFT-UHFFFAOYSA-N"	"[Na+]"
"617"	"534-52-1"	"2-Methyl-4,6-dinitrophenol"	"DTXSID1022053"	"CC1C=C(C=C(C=1O)[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3"	"ZXVONLUNISGICL-UHFFFAOYSA-N"	"?"
"618"	"4658-28-0"	"Aziprotryne"	"DTXSID3041615"	"CSC1=NC(N=[N+]=N)=NC(NC(C)C)=N1"	"InChI=1S/C7H12N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4,8H,1-3H3,(H,9,10,11,12)/q+1"	"FXVNVCISKKOMKV-UHFFFAOYSA-N"	"?"
"619"	"51-28-5"	"2,4-Dinitrophenol"	"DTXSID0020523"	"[O-][N+](=O)C1C=C(C=CC=1O)[N+]([O-])=O"	"InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H"	"UFBJCMHMOXMLKC-UHFFFAOYSA-N"	"?"
"620"	"18708-70-8"	"2,4,6-Trichloronitrobenzene"	"DTXSID0026204"	"[O-][N+](=O)C1C(Cl)=CC(Cl)=CC=1Cl"	"InChI=1S/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H"	"AEBJDOTVYMITIA-UHFFFAOYSA-N"	"?"
"621"	"56400-60-3"			"CNNC"	"InChI=1S/C2H8N2/c1-3-4-2/h3-4H,1-2H3"	"DIIIISSCIXVANO-UHFFFAOYSA-N"	"Cl"
"622"	"61-82-5"	"Amitrole"	"DTXSID0020076"	"NC1N=CNN=1"	"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)"	"KLSJWNVTNUYHDU-UHFFFAOYSA-N"	"?"
"623"	"6921-27-3"	"2-Propynyl ether"	"DTXSID10219242"	"C#CCOCC#C"	"InChI=1S/C6H6O/c1-3-5-7-6-4-2/h1-2H,5-6H2"	"HRDCVMSNCBAMAM-UHFFFAOYSA-N"	"?"
"624"	"1420-06-0"	"Trifenmorph"	"DTXSID6042492"	"C1CN(CCO1)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2"	"ZJMLMBICUVVJDX-UHFFFAOYSA-N"	"?"
"625"	"79-14-1"	"Glycolic acid"	"DTXSID0025363"	"OCC(O)=O"	"InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)"	"AEMRFAOFKBGASW-UHFFFAOYSA-N"	"?"
"626"	"4098-71-9"	"Isophorone diisocyanate"	"DTXSID0023826"	"CC1(C)CC(CC(C)(C1)CN=C=O)N=C=O"	"InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3"	"NIMLQBUJDJZYEJ-UHFFFAOYSA-N"	"?"
"627"	"89-86-1"	"2,4-Dihydroxybenzoic acid"	"DTXSID0025074"	"OC1C=C(O)C(=CC=1)C(O)=O"	"InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)"	"UIAFKZKHHVMJGS-UHFFFAOYSA-N"	"?"
"628"	"24902-02-1"			"CCCOC(=O)C1COC2C=CC=CC=2O1"	"InChI=1S/C12H14O4/c1-2-7-14-12(13)11-8-15-9-5-3-4-6-10(9)16-11/h3-6,11H,2,7-8H2,1H3"	"GIWVWMBTCWHKMO-UHFFFAOYSA-N"	"?"
"629"	"3006-93-7"	"N,N'-1,3-Phenylenedimaleimide"	"DTXSID3044415"	"O=C1C=CC(=O)N1C1=CC(=CC=C1)N1C(=O)C=CC1=O"	"InChI=1S/C14H8N2O4/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20/h1-8H"	"IPJGAEWUPXWFPL-UHFFFAOYSA-N"	"?"
"630"	"66841-25-6"	"Tralomethrin"	"DTXSID0024343"	"CC1(C)C(C1C(=O)OC(C#N)C1C=CC=C(C=1)OC1C=CC=CC=1)C(Br)C(Br)(Br)Br"	"InChI=1S/C22H19Br4NO3/c1-21(2)17(19(23)22(24,25)26)18(21)20(28)30-16(12-27)13-7-6-10-15(11-13)29-14-8-4-3-5-9-14/h3-11,16-19H,1-2H3"	"YWSCPYYRJXKUDB-UHFFFAOYSA-N"	"?"
"631"	"1929-82-4"	"Nitrapyrin"	"DTXSID0024216"	"ClC1=CC=CC(=N1)C(Cl)(Cl)Cl"	"InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H"	"DCUJJWWUNKIJPH-UHFFFAOYSA-N"	"?"
"632"	"91161-71-6"	"Terbinafine"	"DTXSID2023640"	"CN(CC1=CC=CC2C=CC=CC1=2)CC=CC#CC(C)(C)C"	"InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3"	"DOMXUEMWDBAQBQ-UHFFFAOYSA-N"	"?"
"633"	"52963-63-0"			"CC1CN=C(C(OCC)C2C=CC=CC=2)N(C1)CCCC"	"InChI=1S/C18H28N2O/c1-4-6-12-20-14-15(3)13-19-18(20)17(21-5-2)16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14H2,1-3H3"	"QPFCPBGIHZXRES-UHFFFAOYSA-N"	"?"
"634"	"13361-53-0"	"Acetic acid, cyano-, hexyl ester"	"DTXSID30158200"	"CCCCCCOC(=O)CC#N"	"InChI=1S/C9H15NO2/c1-2-3-4-5-8-12-9(11)6-7-10/h2-6,8H2,1H3"	"PWKKBTPSCGLYBR-UHFFFAOYSA-N"	"?"
"635"	"64604-91-7"	"Benzenepropanamide, N-(2-aminoethyl)-3,5-bis(1,1-dimethylethyl)-4-hydroxy-"	"DTXSID90214856"	"CC(C)(C)C1C=C(CCC(=O)NCCN)C=C(C=1O)C(C)(C)C"	"InChI=1S/C19H32N2O2/c1-18(2,3)14-11-13(7-8-16(22)21-10-9-20)12-15(17(14)23)19(4,5)6/h11-12,23H,7-10,20H2,1-6H3,(H,21,22)"	"BAPROVDXKNPHAM-UHFFFAOYSA-N"	"?"
"636"	"15647-08-2"	"2-Ethylhexyl diphenyl phosphite"	"DTXSID8051752"	"CCC(COP(OC1C=CC=CC=1)OC1C=CC=CC=1)CCCC"	"InChI=1S/C20H27O3P/c1-3-5-12-18(4-2)17-21-24(22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3"	"XKZGIJICHCVXFV-UHFFFAOYSA-N"	"?"
"637"	"100-44-7"	"Benzyl chloride"	"DTXSID0020153"	"ClCC1C=CC=CC=1"	"InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2"	"KCXMKQUNVWSEMD-UHFFFAOYSA-N"	"?"
"638"	"119-33-5"	"4-Methyl-2-nitrophenol"	"DTXSID0026961"	"CC1=CC(=C(O)C=C1)[N+]([O-])=O"	"InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3"	"SYDNSSSQVSOXTN-UHFFFAOYSA-N"	"?"
"639"	"120-12-7"	"Anthracene"	"DTXSID0023878"	"C1=C2C=CC=CC2=CC2C=CC=CC=21"	"InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H"	"MWPLVEDNUUSJAV-UHFFFAOYSA-N"	"?"
"640"	"1553-36-2"	"SRI-5"	"DTXSID30165873"	"O=C(CN1CC1)NCCCCCCCCNC(=O)CN1CC1"	"InChI=1S/C16H30N4O2/c21-15(13-19-9-10-19)17-7-5-3-1-2-4-6-8-18-16(22)14-20-11-12-20/h1-14H2,(H,17,21)(H,18,22)"	"ZDTDUAYRLVDHEJ-UHFFFAOYSA-N"	"?"
"641"	"119-12-0"	"Pyridaphenthion"	"DTXSID2042355"	"CCOP(=S)(OC1C=CC(=O)N(N=1)C1C=CC=CC=1)OCC"	"InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3"	"CXJSOEPQXUCJSA-UHFFFAOYSA-N"	"?"
"642"	"586-62-9"	"Terpinolene"	"DTXSID0027222"	"CC(C)=C1CC=C(C)CC1"	"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3"	"MOYAFQVGZZPNRA-UHFFFAOYSA-N"	"?"
"643"	"6108-10-7"	"epsilon-Hexachlorocyclohexane"	"DTXSID0024135"	"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl"	"InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H"	"JLYXXMFPNIAWKQ-UHFFFAOYSA-N"	"?"
"644"	"67306-00-7"	"Fenpropidin"	"DTXSID9058157"	"CC(CC1C=CC(=CC=1)C(C)(C)C)CN1CCCCC1"	"InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3"	"MGNFYQILYYYUBS-UHFFFAOYSA-N"	"?"
"645"	"13256-21-8"			"CN(N=O)C1CS(=O)(=O)CC1"	"InChI=1S/C5H10N2O3S/c1-7(6-8)5-2-3-11(9,10)4-5/h5H,2-4H2,1H3"	"PRZXZYVFNZCXQH-UHFFFAOYSA-N"	"?"
"646"	"62037-80-3"	"Ammonium 2-(perfluoropropoxy)perfluoropropionate"	"DTXSID40108559"	"OC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F"	"InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)"	"CSEBNABAWMZWIF-UHFFFAOYSA-N"	"[NH4+]"
"647"	"26605-69-6"			"CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)C(=O)OC3=CC4CCCC=4C=C3)C(=O)N2C1C(O)=O"	"InChI=1S/C26H26N2O6S/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32)"	"JIRBAUWICKGBFE-UHFFFAOYSA-N"	"[Na+]"
"648"	"36322-90-4"	"Piroxicam"	"DTXSID5021170"	"CN1C(=C(O)C2C=CC=CC=2S1(=O)=O)C(=O)NC1C=CC=CN=1"	"InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)"	"QYSPLQLAKJAUJT-UHFFFAOYSA-N"	"?"
"649"	"60-99-1"	"Levomethotrimeprazine"	"DTXSID1023289"	"CN(C)CC(C)CN1C2C=C(C=CC=2SC2C=CC=CC1=2)OC"	"InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3"	"VRQVVMDWGGWHTJ-UHFFFAOYSA-N"	"?"
"650"	"764-41-0"	"1,4-Dichloro-2-butene"	"DTXSID9027310"	"ClCC=CCCl"	"InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2"	"FQDIANVAWVHZIR-UHFFFAOYSA-N"	"?"
"651"	"134098-61-6"	"Fenpyroximate"	"DTXSID7032557"	"CC1=NN(C)C(OC2C=CC=CC=2)=C1C=NOCC1=CC=C(C=C1)C(=O)OC(C)(C)C"	"InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3"	"YYJNOYZRYGDPNH-UHFFFAOYSA-N"	"?"
"652"	"148-87-8"	"3-[Ethyl(phenyl)amino]propanenitrile"	"DTXSID4044587"	"CCN(CCC#N)C1C=CC=CC=1"	"InChI=1S/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3"	"WYRNRZQRKCXPLA-UHFFFAOYSA-N"	"?"
"653"	"3347-30-6"	"Phosphorotrithioic acid, O,S,S-triethyl ester"	"DTXSID10187114"	"CCOP(=S)(SCC)SCC"	"InChI=1S/C6H15OPS3/c1-4-7-8(9,10-5-2)11-6-3/h4-6H2,1-3H3"	"SJQKMVSYJWSDSI-UHFFFAOYSA-N"	"?"
"654"	"129-03-3"	"Cyproheptadine"	"DTXSID8022872"	"CN1CCC(CC1)=C1C2C=CC=CC=2C=CC2C=CC=CC=21"	"InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3"	"JJCFRYNCJDLXIK-UHFFFAOYSA-N"	"?"
"655"	"553-27-5"	"Aniline mustard"	"DTXSID30203820"	"ClCCN(CCCl)C1C=CC=CC=1"	"InChI=1S/C10H13Cl2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2"	"ROSJKFFLIXTTAW-UHFFFAOYSA-N"	"?"
"656"	"123252-98-2"	"Butanedioic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide"	"DTXSID50153914"	"COC(=O)CCC(=O)OC1C2SC(Cl)=CC=2S(=O)(=O)N(C)C=1C(=O)NC1C=CC=CN=1"	"InChI=1S/C18H16ClN3O7S2/c1-22-15(18(25)21-12-5-3-4-8-20-12)16(29-14(24)7-6-13(23)28-2)17-10(31(22,26)27)9-11(19)30-17/h3-5,8-9H,6-7H2,1-2H3,(H,20,21,25)"	"LNHOLXKFXQSWDT-UHFFFAOYSA-N"	"?"
"657"	"80834-71-5"	"2(1H)-Quinolinone, 3,4-dihydro-6-(1-oxo-3-(4-(phenylmethyl)-1-piperidinyl)propyl)-"	"DTXSID30230656"	"O=C(CCN1CCC(CC2C=CC=CC=2)CC1)C1C=C2CCC(=O)NC2=CC=1"	"InChI=1S/C24H28N2O2/c27-23(21-6-8-22-20(17-21)7-9-24(28)25-22)12-15-26-13-10-19(11-14-26)16-18-4-2-1-3-5-18/h1-6,8,17,19H,7,9-16H2,(H,25,28)"	"UIBOYRKYRKEUFU-UHFFFAOYSA-N"	"?"
"658"	"133-49-3"	"Pentachlorobenzenethiol"	"DTXSID3044540"	"SC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl"	"InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H"	"LLMLGZUZTFMXSA-UHFFFAOYSA-N"	"?"
"659"	"89427-47-4"	"Benzimidazole, 4,7-dichloro-5,6-dimethoxy-2-(trifluoromethyl)-"	"DTXSID70237705"	"COC1C(OC)=C(Cl)C2NC(=NC=2C=1Cl)C(F)(F)F"	"InChI=1S/C10H7Cl2F3N2O2/c1-18-7-3(11)5-6(4(12)8(7)19-2)17-9(16-5)10(13,14)15/h1-2H3,(H,16,17)"	"ZOTAAERTGSZERF-UHFFFAOYSA-N"	"?"
"660"	"61702-44-1"	"2-Chloro-1,4-diaminobenzene sulfate"	"DTXSID0020284"	"NC1C=C(Cl)C(N)=CC=1"	"InChI=1S/C6H7ClN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2"	"MGLZGLAFFOMWPB-UHFFFAOYSA-N"	"O=S(=O)(O)O"
"661"	"10347-81-6"	"Maprotiline hydrochloride"	"DTXSID2044507"	"CNCCCC12CCC(C3C=CC=CC1=3)C1C=CC=CC2=1"	"InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3"	"QSLMDECMDJKHMQ-UHFFFAOYSA-N"	"Cl"
"662"	"25506-00-7"	"Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,6-dimethyl-4-phenyl-"	"DTXSID80180197"	"CC1ON=C2C=1C(=NN(C)C2=O)C1C=CC=CC=1"	"InChI=1S/C13H11N3O2/c1-8-10-11(9-6-4-3-5-7-9)14-16(2)13(17)12(10)15-18-8/h3-7H,1-2H3"	"XJXJGEAQOLTDAY-UHFFFAOYSA-N"	"?"
"663"	"56581-45-4"	"2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(m-chlorophenyl)-"	"DTXSID20205136"	"ClC1=CC(=CC=C1)[Si]12OCCN(CCO1)CCO2"	"InChI=1S/C12H16ClNO3Si/c13-11-2-1-3-12(10-11)18-15-7-4-14(5-8-16-18)6-9-17-18/h1-3,10H,4-9H2"	"ZVTSTPWMPMJSEE-UHFFFAOYSA-N"	"?"
"664"	"72214-01-8"	"2-Ethylhexyl hydrogen sulfate"	"DTXSID7047988"	"CCCCC(COS(O)(=O)=O)CC"	"InChI=1S/C8H18O4S/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H,9,10,11)"	"MHGOKSLTIUHUBF-UHFFFAOYSA-N"	"?"
"665"	"79-01-6"	"Trichloroethylene"	"DTXSID0021383"	"ClC=C(Cl)Cl"	"InChI=1S/C2HCl3/c3-1-2(4)5/h1H"	"XSTXAVWGXDQKEL-UHFFFAOYSA-N"	"?"
"666"	"56-23-5"	"Carbon tetrachloride"	"DTXSID8020250"	"ClC(Cl)(Cl)Cl"	"InChI=1S/CCl4/c2-1(3,4)5"	"VZGDMQKNWNREIO-UHFFFAOYSA-N"	"?"
"667"	"439-14-5"	"Diazepam"	"DTXSID4020406"	"CN1C(=O)CN=C(C2C=C(Cl)C=CC1=2)C1C=CC=CC=1"	"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3"	"AAOVKJBEBIDNHE-UHFFFAOYSA-N"	"?"
"668"	"504-24-5"	"4-Aminopyridine"	"DTXSID0023870"	"NC1C=CN=CC=1"	"InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)"	"NUKYPUAOHBNCPY-UHFFFAOYSA-N"	"?"
"669"	"438-60-8"	"Protriptyline"	"DTXSID0023535"	"CNCCCC1C2C=CC=CC=2C=CC2C=CC=CC=21"	"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3"	"BWPIARFWQZKAIA-UHFFFAOYSA-N"	"?"
"670"	"495-48-7"	"Azoxybenzene"	"DTXSID0024555"	"[O-][N+](=NC1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C12H10N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H"	"GAUZCKBSTZFWCT-UHFFFAOYSA-N"	"?"
"671"	"180793-95-7"	"Benzamide, N-(5-(2-(10H-phenothiazin-10-yl)ethyl)-1,3,4-thiodiazol-2-yl)-"	"DTXSID90171016"	"O=C(NC1=NN=C(CCN2C3C=CC=CC=3SC3C=CC=CC2=3)S1)C1C=CC=CC=1"	"InChI=1S/C23H18N4OS2/c28-22(16-8-2-1-3-9-16)24-23-26-25-21(30-23)14-15-27-17-10-4-6-12-19(17)29-20-13-7-5-11-18(20)27/h1-13H,14-15H2,(H,24,26,28)"	"XSQDSGOXENXGRQ-UHFFFAOYSA-N"	"?"
"672"	"106-50-3"	"1,4-Benzenediamine"	"DTXSID9021138"	"NC1C=CC(N)=CC=1"	"InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2"	"CBCKQZAAMUWICA-UHFFFAOYSA-N"	"?"
"673"	"56235-95-1"			"CCN(N=O)OCC"	"InChI=1S/C4H10N2O2/c1-3-6(5-7)8-4-2/h3-4H2,1-2H3"	"QNOLKZYYKHPKJQ-UHFFFAOYSA-N"	"?"
"674"	"64318-79-2"			"CCCCC(C)(C)C(O)C=CC1C(CCCCC=CC(=O)OC)C(=O)CC1O"	"InChI=1S/C23H38O5/c1-5-6-15-23(2,3)21(26)14-13-18-17(19(24)16-20(18)25)11-9-7-8-10-12-22(27)28-4/h10,12-14,17-18,20-21,25-26H,5-9,11,15-16H2,1-4H3"	"KYBOHGVERHWSSV-UHFFFAOYSA-N"	"?"
"675"	"59-49-4"	"2-Benzoxazolinone"	"DTXSID9049324"	"O=C1NC2=CC=CC=C2O1"	"InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)"	"ASSKVPFEZFQQNQ-UHFFFAOYSA-N"	"?"
"676"	"4224-62-8"	"6-Chlorohexanoic acid"	"DTXSID50195076"	"OC(=O)CCCCCCl"	"InChI=1S/C6H11ClO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)"	"XWWKSLXUVZVGSP-UHFFFAOYSA-N"	"?"
"677"	"100-25-4"	"1,4-Dinitrobenzene"	"DTXSID0021836"	"[O-][N+](=O)C1C=CC(=CC=1)[N+]([O-])=O"	"InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H"	"FYFDQJRXFWGIBS-UHFFFAOYSA-N"	"?"
"678"	"69-72-7"	"Salicylic acid"	"DTXSID7026368"	"OC1C=CC=CC=1C(O)=O"	"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)"	"YGSDEFSMJLZEOE-UHFFFAOYSA-N"	"?"
"679"	"85-68-7"	"Butyl benzyl phthalate"	"DTXSID3020205"	"CCCCOC(=O)C1C=CC=CC=1C(=O)OCC1C=CC=CC=1"	"InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3"	"IRIAEXORFWYRCZ-UHFFFAOYSA-N"	"?"
"680"	"35074-77-2"	"Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,6-hexanediyl ester"	"DTXSID0027985"	"CC(C)(C)C1=CC(CCC(=O)OCCCCCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C"	"InChI=1S/C40H62O6/c1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12/h23-26,43-44H,13-22H2,1-12H3"	"ZVVFVKJZNVSANF-UHFFFAOYSA-N"	"?"
"681"	"3415-60-9"	"1-Propanol, 3,3'-(phenylimino)di-, dimethanesulfonate (ester), hydrochloride"	"DTXSID90187758"	"CS(=O)(=O)OCCCN(CCCOS(C)(=O)=O)C1C=CC=CC=1"	"InChI=1S/C14H23NO6S2/c1-22(16,17)20-12-6-10-15(14-8-4-3-5-9-14)11-7-13-21-23(2,18)19/h3-5,8-9H,6-7,10-13H2,1-2H3"	"OFDPDQPXERZBHW-UHFFFAOYSA-N"	"Cl"
"682"	"5411-22-3"	"Benzphetamine hydrochloride"	"DTXSID6074837"	"CC(CC1C=CC=CC=1)N(C)CC1C=CC=CC=1"	"InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3"	"YXKTVDFXDRQTKV-UHFFFAOYSA-N"	"Cl"
"683"	"38194-50-2"	"Sulindac"	"DTXSID4023624"	"CC1C(=CC2=CC=C(C=C2)S(C)=O)C2C=CC(F)=CC=2C=1CC(O)=O"	"InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)"	"MLKXDPUZXIRXEP-UHFFFAOYSA-N"	"?"
"684"	"148-79-8"	"Thiabendazole"	"DTXSID0021337"	"C1=NC(=CS1)C1NC2C=CC=CC=2N=1"	"InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)"	"WJCNZQLZVWNLKY-UHFFFAOYSA-N"	"?"
"685"	"127-21-9"	"2-Propanone, 1,3-dichloro-1,1,3,3-tetrafluoro-"	"DTXSID1073159"	"O=C(C(F)(F)Cl)C(F)(F)Cl"	"InChI=1S/C3Cl2F4O/c4-2(6,7)1(10)3(5,8)9"	"QRKKTXWUDLJYCV-UHFFFAOYSA-N"	"?"
"686"	"1331-11-9"			"CCOCCC(O)=O"	"InChI=1S/C5H10O3/c1-2-8-4-3-5(6)7/h2-4H2,1H3,(H,6,7)"	"JRXXEXVXTFEBIY-UHFFFAOYSA-N"	"?"
"687"	"144-83-2"	"Sulfapyridine"	"DTXSID3026067"	"NC1C=CC(=CC=1)S(=O)(=O)NC1=CC=CC=N1"	"InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)"	"GECHUMIMRBOMGK-UHFFFAOYSA-N"	"?"
"688"	"99-03-6"	"3-Aminoacetophenone"	"DTXSID0021830"	"CC(=O)C1C=C(N)C=CC=1"	"InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3"	"CKQHAYFOPRIUOM-UHFFFAOYSA-N"	"?"
"689"	"5036-48-6"	"1H-Imidazole-1-propanamine"	"DTXSID7063685"	"NCCCN1C=NC=C1"	"InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2"	"KDHWOCLBMVSZPG-UHFFFAOYSA-N"	"?"
"690"	"88-12-0"	"N-Vinyl-2-pyrrolidone"	"DTXSID2021440"	"C=CN1CCCC1=O"	"InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2"	"WHNWPMSKXPGLAX-UHFFFAOYSA-N"	"?"
"691"	"60764-83-2"	"Methanethiol, triethoxysilyl-"	"DTXSID10209587"	"CCO[Si](CS)(OCC)OCC"	"InChI=1S/C7H18O3SSi/c1-4-8-12(7-11,9-5-2)10-6-3/h11H,4-7H2,1-3H3"	"XSIGLRIVXRKQRA-UHFFFAOYSA-N"	"?"
"692"	"63815-58-7"	"Phosphoramidothioic acid, (ethyl(2-hydroxyethyl)-thiocarbamoyl)-, O,O-dimethyl ester"	"DTXSID30213262"	"CCN(CCO)C(=S)NP(=S)(OC)OC"	"InChI=1S/C7H17N2O3PS2/c1-4-9(5-6-10)7(14)8-13(15,11-2)12-3/h10H,4-6H2,1-3H3,(H,8,14,15)"	"FYXFBCQMMPSBPP-UHFFFAOYSA-N"	"?"
"693"	"353-59-3"	"Methane, bromochlorodifluoro-"	"DTXSID0027147"	"FC(F)(Cl)Br"	"InChI=1S/CBrClF2/c2-1(3,4)5"	"MEXUFEQDCXZEON-UHFFFAOYSA-N"	"?"
"694"	"540-18-1"	"Pentyl butyrate"	"DTXSID4041604"	"CCCC(=O)OCCCCC"	"InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3"	"CFNJLPHOBMVMNS-UHFFFAOYSA-N"	"?"
"695"	"13292-46-1"	"Rifampicin"	"DTXSID6021244"	"CN1CCN(CC1)N=CC1C2NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(C=COC3(C)OC4=C(C(=C(C=2O)C(O)=C4C)C=1O)C3=O)OC |c:16|"	"InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11?,19-14?,22-13-,44-20?"	"JQXXHWHPUNPDRT-CUJWLTRMSA-N"	"?"
"696"	"120-82-1"	"1,2,4-Trichlorobenzene"	"DTXSID0021965"	"ClC1=CC(Cl)=C(Cl)C=C1"	"InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H"	"PBKONEOXTCPAFI-UHFFFAOYSA-N"	"?"
"697"	"472-86-6"	"13-cis-Retinal"	"DTXSID0025997"	"CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CC=O"	"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3"	"NCYCYZXNIZJOKI-UHFFFAOYSA-N"	"?"
"698"	"112839-32-4"	"Furconazole-cis"	"DTXSID8057936"	"FC(F)(F)COC1CCC(CN2C=NC=N2)(O1)C1=CC=C(Cl)C=C1Cl"	"InChI=1S/C15H14Cl2F3N3O2/c16-10-1-2-11(12(17)5-10)14(6-23-9-21-8-22-23)4-3-13(25-14)24-7-15(18,19)20/h1-2,5,8-9,13H,3-4,6-7H2"	"ULCWZQJLFZEXCS-UHFFFAOYSA-N"	"?"
"699"	"89427-07-6"	"Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-"	"DTXSID70237669"	"N#CC1C=C(Cl)C2N=C(NC=2C=1)C(F)(F)F"	"InChI=1S/C9H3ClF3N3/c10-5-1-4(3-14)2-6-7(5)16-8(15-6)9(11,12)13/h1-2H,(H,15,16)"	"IRFXRRYWNCENBO-UHFFFAOYSA-N"	"?"
"700"	"2489-77-2"	"1,1,3-Trimethyl-2-thiourea"	"DTXSID6021404"	"CNC(=S)N(C)C"	"InChI=1S/C4H10N2S/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)"	"JAEZSIYNWDWMMN-UHFFFAOYSA-N"	"?"
"701"	"101670-75-1"			"CC[N+]1(CCCO1)CC"	"InChI=1S/C7H16NO/c1-3-8(4-2)6-5-7-9-8/h3-7H2,1-2H3/q+1"	"SEQLZNYVJNXHTM-UHFFFAOYSA-N"	"[Cl-]"
"702"	"133-10-8"	"Sodium 4-aminosalicylate"	"DTXSID0046066"	"NC1=CC(O)=C(C=C1)C(O)=O"	"InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)"	"WUBBRNOQWQTFEX-UHFFFAOYSA-N"	"[Na+]"
"703"	"2524-03-0"	"O,O-Dimethyl chlorothiophosphate"	"DTXSID0027486"	"COP(=S)(Cl)OC"	"InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3"	"XFBJRFNXPUCPKU-UHFFFAOYSA-N"	"?"
"704"	"27554-26-3"	"Diisooctyl phthalate"	"DTXSID0027933"	"CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C"	"InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3"	"IJFPVINAQGWBRJ-UHFFFAOYSA-N"	"?"
"705"	"38821-52-2"	"Indoramin hydrochloride"	"DTXSID1046504"	"O=C(NC1CCN(CCC2=CNC3C=CC=CC2=3)CC1)C1C=CC=CC=1"	"InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)"	"JXZZEXZZKAWDSP-UHFFFAOYSA-N"	"Cl"
"706"	"3813-05-6"	"Benazolin"	"DTXSID2041620"	"OC(=O)CN1C2C(Cl)=CC=CC=2SC1=O"	"InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)"	"HYJSGOXICXYZGS-UHFFFAOYSA-N"	"?"
"707"	"17455-23-1"			"C1COCCOC2CCCCC2OCCOCCOCCOC2CCCCC2OCCO1"	"InChI=1S/C24H44O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h21-24H,1-20H2"	"QMLGNDFKJAFKGZ-UHFFFAOYSA-N"	"?"
"708"	"74-31-7"	"N,N'-Diphenyl-p-phenylenediamine"	"DTXSID9020538"	"C1=CC(=CC=C1NC1C=CC=CC=1)NC1C=CC=CC=1"	"InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H"	"UTGQNNCQYDRXCH-UHFFFAOYSA-N"	"?"
"709"	"74-99-7"	"1-Propyne"	"DTXSID0026387"	"CC#C"	"InChI=1S/C3H4/c1-3-2/h1H,2H3"	"MWWATHDPGQKSAR-UHFFFAOYSA-N"	"?"
"710"	"117666-90-7"			"COC1C=C(C=CC=1OCCC)C=CC(=O)OCC"	"InChI=1S/C15H20O4/c1-4-10-19-13-8-6-12(11-14(13)17-3)7-9-15(16)18-5-2/h6-9,11H,4-5,10H2,1-3H3"	"QLNZAEKAGOCIKD-UHFFFAOYSA-N"	"?"
"711"	"16195-77-0"			"CCCCC=CC=CC=CCCCCCCCC(=O)OC"	"InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h6-11H,3-5,12-18H2,1-2H3"	"KOJYENXGDXRGDK-UHFFFAOYSA-N"	"?"
"712"	"59729-31-6"	"Lorcainide"	"DTXSID2023226"	"CC(C)N1CCC(CC1)N(C(=O)CC1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C22H27ClN2O/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3"	"XHOJAWVAWFHGHL-UHFFFAOYSA-N"	"?"
"713"	"74037-49-3"	"Pyridine, 3,3'-dithiodimethylenedi-, dihydrochloride"	"DTXSID90224854"	"C(SSCC1=CN=CC=C1)C1=CN=CC=C1"	"InChI=1S/C12H12N2S2/c1-3-11(7-13-5-1)9-15-16-10-12-4-2-6-14-8-12/h1-8H,9-10H2"	"MKZXWJQNCUGVHR-UHFFFAOYSA-N"	"Cl.Cl"
"714"	"5728-52-9"	"Felbinac"	"DTXSID0045389"	"OC(=O)CC1C=CC(=CC=1)C1C=CC=CC=1"	"InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)"	"QRZAKQDHEVVFRX-UHFFFAOYSA-N"	"?"
"715"	"140-08-9"	"Tris(2-chloroethyl) phosphite"	"DTXSID0026258"	"ClCCOP(OCCCl)OCCCl"	"InChI=1S/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2"	"LUVCTYHBTXSAMX-UHFFFAOYSA-N"	"?"
"716"	"542-56-3"	"Isobutyl nitrite"	"DTXSID3020750"	"CC(C)CON=O"	"InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3"	"APNSGVMLAYLYCT-UHFFFAOYSA-N"	"?"
"717"	"32588-54-8"	"2-(2-Methylbutan-2-yl)anthracene-9,10-dione"	"DTXSID8044917"	"CCC(C)(C)C1=CC2=C(C=C1)C(=O)C1C=CC=CC=1C2=O"	"InChI=1S/C19H18O2/c1-4-19(2,3)12-9-10-15-16(11-12)18(21)14-8-6-5-7-13(14)17(15)20/h5-11H,4H2,1-3H3"	"WUKWGUZTPMOXOW-UHFFFAOYSA-N"	"?"
"718"	"140-79-4"	"Dinitrosopiperazine"	"DTXSID0020527"	"O=NN1CCN(CC1)N=O"	"InChI=1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2"	"WNSYEWGYAFFSSQ-UHFFFAOYSA-N"	"?"
"719"	"54941-75-2"	"Benzophenone, 4'-chloro-2-(2-imidazol-2-yl)-"	"DTXSID40203457"	"O=C(C1C=CC=CC=1C1NC=CN=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C16H11ClN2O/c17-12-7-5-11(6-8-12)15(20)13-3-1-2-4-14(13)16-18-9-10-19-16/h1-10H,(H,18,19)"	"ISAXAIVJYQBLOX-UHFFFAOYSA-N"	"?"
"720"	"77599-17-8"			"OCCNCCOC1C=CC(=CC=1)C(=C(C1C=CC=CC=1)C(F)(F)F)C1C=CC=CC=1"	"InChI=1S/C25H24F3NO2/c26-25(27,28)24(21-9-5-2-6-10-21)23(19-7-3-1-4-8-19)20-11-13-22(14-12-20)31-18-16-29-15-17-30/h1-14,29-30H,15-18H2"	"MHXVDXXARZCVRK-UHFFFAOYSA-N"	"?"
"721"	"4362-44-1"			"ClCC1COC(O1)C(Cl)(Cl)Cl"	"InChI=1S/C5H6Cl4O2/c6-1-3-2-10-4(11-3)5(7,8)9/h3-4H,1-2H2"	"DADNQTMXKHQSRJ-UHFFFAOYSA-N"	"?"
"722"	"64058-87-3"			"CCC/N=C(\N)/C(OCC)C1C=CC=CC=1"	"InChI=1S/C13H20N2O/c1-3-10-15-13(14)12(16-4-2)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H2,14,15)"	"HABIPVRVOBTUPR-UHFFFAOYSA-N"	"?"
"723"	"4164-28-7"	"Dimethylnitramine"	"DTXSID6020519"	"CN(C)[N+]([O-])=O"	"InChI=1S/C2H6N2O2/c1-3(2)4(5)6/h1-2H3"	"XRWKADIRZXTTLH-UHFFFAOYSA-N"	"?"
"724"	"106-91-2"	"Glycidyl methacrylate"	"DTXSID0025361"	"CC(=C)C(=O)OCC1CO1"	"InChI=1S/C7H10O3/c1-5(2)7(8)10-4-6-3-9-6/h6H,1,3-4H2,2H3"	"VOZRXNHHFUQHIL-UHFFFAOYSA-N"	"?"
"725"	"36085-73-1"	"Talipexole dihydrochloride"	"DTXSID20189669"	"C=CCN1CCC2SC(N)=NC=2CC1"	"InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)"	"DHSSDEDRBUKTQY-UHFFFAOYSA-N"	"Cl.Cl"
"726"	"17751-74-5"			"CCCCCOC(C[N+]1C=CC=CC=1)C1C=CC(=CC=1)C1CCCCC1"	"InChI=1S/C24H34NO/c1-2-3-10-19-26-24(20-25-17-8-5-9-18-25)23-15-13-22(14-16-23)21-11-6-4-7-12-21/h5,8-9,13-18,21,24H,2-4,6-7,10-12,19-20H2,1H3/q+1"	"GDKMZWYYJLJLNV-UHFFFAOYSA-N"	"[Br-]"
"727"	"115-77-5"	"Pentaerythritol"	"DTXSID2026943"	"OCC(CO)(CO)CO"	"InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2"	"WXZMFSXDPGVJKK-UHFFFAOYSA-N"	"?"
"728"	"99-63-8"	"1,3-Benzenedicarbonyl dichloride"	"DTXSID3026641"	"O=C(Cl)C1C=C(C=CC=1)C(=O)Cl"	"InChI=1S/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H"	"FDQSRULYDNDXQB-UHFFFAOYSA-N"	"?"
"729"	"120-71-8"	"2-Methoxy-5-methylaniline"	"DTXSID1020350"	"CC1C=C(N)C(=CC=1)OC"	"InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3"	"WXWCDTXEKCVRRO-UHFFFAOYSA-N"	"?"
"730"	"115-93-5"	"Cythioate"	"DTXSID8041828"	"COP(=S)(OC1C=CC(=CC=1)S(N)(=O)=O)OC"	"InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)"	"BSBSDQUZDZXGFN-UHFFFAOYSA-N"	"?"
"731"	"3942-71-0"	"Carbamic acid, methyl-, thymyl ester"	"DTXSID00192595"	"CC1C=CC(C(C)C)=C(C=1)OC(=O)NC"	"InChI=1S/C12H17NO2/c1-8(2)10-6-5-9(3)7-11(10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)"	"OWKQRPRYKIPYIG-UHFFFAOYSA-N"	"?"
"732"	"15687-18-0"	"Fenpentadiol"	"DTXSID9023047"	"CC(C)(O)CC(C)(O)C1C=CC(Cl)=CC=1"	"InChI=1S/C12H17ClO2/c1-11(2,14)8-12(3,15)9-4-6-10(13)7-5-9/h4-7,14-15H,8H2,1-3H3"	"SNJDSTGQYRTZJT-UHFFFAOYSA-N"	"?"
"733"	"116-17-6"	"Tripropan-2-yl phosphite"	"DTXSID9044372"	"CC(C)OP(OC(C)C)OC(C)C"	"InChI=1S/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3"	"SJHCUXCOGGKFAI-UHFFFAOYSA-N"	"?"
"734"	"3758-54-1"	"N-(2-Hydroxyethyl)-N,N-dimethyl-3-(octadecanoylamino)propan-1-aminium dihydrogen phosphate"	"DTXSID9052050"	"CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO"	"InChI=1S/C25H52N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)26-21-19-22-27(2,3)23-24-28/h28H,4-24H2,1-3H3/p+1"	"WYRIQSJBDPBLDQ-UHFFFAOYSA-O"	"P(O)(O)(=O)[O-]"
"735"	"135410-20-7"	"Acetamiprid"	"DTXSID0034300"	"CC(=NC#N)N(C)CC1=CN=C(Cl)C=C1"	"InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3"	"WCXDHFDTOYPNIE-UHFFFAOYSA-N"	"?"
"736"	"6609-36-5"	"Benzimidazole, 6-bromo-4-nitro-2-(trifluoromethyl)-"	"DTXSID00216280"	"[O-][N+](=O)C1C=C(Br)C=C2NC(=NC=12)C(F)(F)F"	"InChI=1S/C8H3BrF3N3O2/c9-3-1-4-6(5(2-3)15(16)17)14-7(13-4)8(10,11)12/h1-2H,(H,13,14)"	"USUPLSWSXSTERT-UHFFFAOYSA-N"	"?"
"737"	"10595-60-5"	"1,2-Ethanediamine, N-(1,3-dimethylbutylidene)-N'-[2-[(1,3-dimethylbutylidene)amino]ethyl]-"	"DTXSID0027727"	"CC(CC(C)C)=NCCNCCN=C(C)CC(C)C"	"InChI=1S/C16H33N3/c1-13(2)11-15(5)18-9-7-17-8-10-19-16(6)12-14(3)4/h13-14,17H,7-12H2,1-6H3"	"CJAGRJAFLCPABV-UHFFFAOYSA-N"	"?"
"738"	"52334-99-3"	"Propanamide, 3-mercapto-N-methyl-"	"DTXSID20886000"	"CNC(=O)CCS"	"InChI=1S/C4H9NOS/c1-5-4(6)2-3-7/h7H,2-3H2,1H3,(H,5,6)"	"VYQTZFNKSHBQKY-UHFFFAOYSA-N"	"?"
"739"	"24771-25-3"	"Carbonimidic acid, cyano-, dimethyl ester"	"DTXSID9067019"	"COC(=NC#N)OC"	"InChI=1S/C4H6N2O2/c1-7-4(8-2)6-3-5/h1-2H3"	"ZOKYZTUQSVAKHS-UHFFFAOYSA-N"	"?"
"740"	"55620-18-3"			"CC(=O)OC1C=CC=CC=1C=CC(O)=O"	"InChI=1S/C11H10O4/c1-8(12)15-10-5-3-2-4-9(10)6-7-11(13)14/h2-7H,1H3,(H,13,14)"	"UXOWQQCLBQBRMQ-UHFFFAOYSA-N"	"?"
"741"	"75-37-6"	"1,1-Difluoroethane"	"DTXSID0024050"	"CC(F)F"	"InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3"	"NPNPZTNLOVBDOC-UHFFFAOYSA-N"	"?"
"742"	"4062-99-1"	"Carbamic acid, N-methyl-, o-(allyloxy)phenyl ester"	"DTXSID00193628"	"CNC(=O)OC1C=CC=CC=1OCC=C"	"InChI=1S/C11H13NO3/c1-3-8-14-9-6-4-5-7-10(9)15-11(13)12-2/h3-7H,1,8H2,2H3,(H,12,13)"	"RRCXOIBMSKRASZ-UHFFFAOYSA-N"	"?"
"743"	"16090-02-1"	"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt"	"DTXSID0027777"	"OS(=O)(=O)C1C=C(C=CC=1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1N=C(NC2C=CC=CC=2)N=C(N=1)N1CCOCC1)NC1=NC(=NC(NC2C=CC=CC=2)=N1)N1CCOCC1"	"InChI=1S/C40H40N12O8S2/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50)"	"YGUMVDWOQQJBGA-UHFFFAOYSA-N"	"[Na+].[Na+]"
"744"	"19525-59-8"	"Potassium anilinoacetate"	"DTXSID0027806"	"OC(=O)CNC1C=CC=CC=1"	"InChI=1S/C8H9NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)"	"NPKSPKHJBVJUKB-UHFFFAOYSA-N"	"[K+]"
"745"	"35170-28-6"			"NC1=NC=NC2=C1N=CN2C1OC(COP(O)(O)=O)C(O)C1O"	"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)"	"UDMBCSSLTHHNCD-UHFFFAOYSA-N"	"[K+]"
"746"	"10138-21-3"	"Dichloroethylvinylsilane"	"DTXSID80871199"	"CC[Si](Cl)(Cl)C=C"	"InChI=1S/C4H8Cl2Si/c1-3-7(5,6)4-2/h3H,1,4H2,2H3"	"JPBGVRDEQPIMFO-UHFFFAOYSA-N"	"?"
"747"	"63815-50-9"			"CC(C)COP(=S)(CCl)OP(=O)(OCC)OCC"	"InChI=1S/C9H21ClO5P2S/c1-5-12-17(11,13-6-2)15-16(18,8-10)14-7-9(3)4/h9H,5-8H2,1-4H3"	"XIIGQYHQBUYJCV-UHFFFAOYSA-N"	"?"
"748"	"22898-01-7"	"Fluopropanate-sodium"	"DTXSID9066837"	"OC(=O)C(F)(F)C(F)F"	"InChI=1S/C3H2F4O2/c4-1(5)3(6,7)2(8)9/h1H,(H,8,9)"	"PXRROZVNOOEPPZ-UHFFFAOYSA-N"	"[Na+]"
"749"	"552-89-6"	"2-Nitrobenzaldehyde"	"DTXSID0022060"	"[O-][N+](=O)C1C=CC=CC=1C=O"	"InChI=1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H"	"CMWKITSNTDAEDT-UHFFFAOYSA-N"	"?"
"750"	"41198-08-7"	"Profenofos"	"DTXSID3032464"	"CCCSP(=O)(OC1=CC=C(Br)C=C1Cl)OCC"	"InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3"	"QYMMJNLHFKGANY-UHFFFAOYSA-N"	"?"
"751"	"6287-38-3"	"3,4-Dichlorobenzaldehyde"	"DTXSID0024971"	"O=CC1C=C(Cl)C(Cl)=CC=1"	"InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H"	"ZWUSBSHBFFPRNE-UHFFFAOYSA-N"	"?"
"752"	"325-85-9"	"Acetamide, N,N-dibutyl-2-fluoro-"	"DTXSID90186226"	"CCCCN(CCCC)C(=O)CF"	"InChI=1S/C10H20FNO/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3-9H2,1-2H3"	"MCFXTMQHTIDALX-UHFFFAOYSA-N"	"?"
"753"	"52718-96-4"	"Propanedinitrile, (3-methoxy-2-propenylidene)-"	"DTXSID4068793"	"COC=CC=C(C#N)C#N"	"InChI=1S/C7H6N2O/c1-10-4-2-3-7(5-8)6-9/h2-4H,1H3"	"MALUIHGUZRXIGV-UHFFFAOYSA-N"	"?"
"754"	"846-50-4"	"Temazepam"	"DTXSID8021309"	"CN1C(=O)C(O)N=C(C2C=C(Cl)C=CC1=2)C1C=CC=CC=1"	"InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3"	"SEQDDYPDSLOBDC-UHFFFAOYSA-N"	"?"
"755"	"65610-14-2"	"1,2-Benzenedicarbonitrile, 4-fluoro-"	"DTXSID6073601"	"N#CC1C=CC(F)=CC=1C#N"	"InChI=1S/C8H3FN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H"	"QQEKYCCJLSRLEC-UHFFFAOYSA-N"	"?"
"756"	"7203-91-0"	"1-(4'-Carboxyphenyl)-3,3-dimethyltriazene"	"DTXSID70866135"	"CN(C)N=NC1C=CC(=CC=1)C(O)=O"	"InChI=1S/C9H11N3O2/c1-12(2)11-10-8-5-3-7(4-6-8)9(13)14/h3-6H,1-2H3,(H,13,14)"	"GUAZPUYTLMUTMA-UHFFFAOYSA-N"	"?"
"757"	"111-85-3"	"1-Chlorooctane"	"DTXSID0021543"	"CCCCCCCCCl"	"InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3"	"CNDHHGUSRIZDSL-UHFFFAOYSA-N"	"?"
"758"	"25155-18-4"			"CC(C)(C)CC(C)(C)C1=CC(C)=C(C=C1)OCCOCC[N+](C)(C)CC1C=CC=CC=1"	"InChI=1S/C28H44NO2/c1-23-20-25(28(5,6)22-27(2,3)4)14-15-26(23)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24/h9-15,20H,16-19,21-22H2,1-8H3/q+1"	"UQOOPIMXBSPVJI-UHFFFAOYSA-N"	"[Cl-]"
"759"	"89796-99-6"	"Aceclofenac"	"DTXSID7045522"	"OC(=O)COC(=O)CC1C=CC=CC=1NC1C(Cl)=CC=CC=1Cl"	"InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)"	"MNIPYSSQXLZQLJ-UHFFFAOYSA-N"	"?"
"760"	"80734-02-7"	"Lenampicillin hydrochloride"	"DTXSID0057835"	"CC1OC(=O)OC=1COC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)C1C=CC=CC=1)C2=O"	"InChI=1S/C21H23N3O7S/c1-10-12(31-20(28)30-10)9-29-19(27)15-21(2,3)32-18-14(17(26)24(15)18)23-16(25)13(22)11-7-5-4-6-8-11/h4-8,13-15,18H,9,22H2,1-3H3,(H,23,25)"	"ZKUKMWMSYCIYRD-UHFFFAOYSA-N"	"Cl"
"761"	"84226-24-4"	"1(2H)-Pyridinepropanenitrile, 3,6-dihydro-4-(3-(trifluoromethyl)phenyl)-, hydrochloride"	"DTXSID50233149"	"N#CCCN1CC=C(CC1)C1=CC(=CC=C1)C(F)(F)F"	"InChI=1S/C15H15F3N2/c16-15(17,18)14-4-1-3-13(11-14)12-5-9-20(10-6-12)8-2-7-19/h1,3-5,11H,2,6,8-10H2"	"XVBCZSYHUGVSIB-UHFFFAOYSA-N"	"Cl"
"762"	"122-97-4"	"3-Phenyl-1-propanol"	"DTXSID6041638"	"OCCCC1C=CC=CC=1"	"InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2"	"VAJVDSVGBWFCLW-UHFFFAOYSA-N"	"?"
"763"	"103-72-0"	"Phenyl isothiocyanate"	"DTXSID0021129"	"S=C=NC1C=CC=CC=1"	"InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H"	"QKFJKGMPGYROCL-UHFFFAOYSA-N"	"?"
"764"	"94317-64-3"	"N-Butylphosphorothioic triamide"	"DTXSID4044747"	"CCCCNP(N)(N)=S"	"InChI=1S/C4H14N3PS/c1-2-3-4-7-8(5,6)9/h2-4H2,1H3,(H5,5,6,7,9)"	"HEPPIYNOUFWEPP-UHFFFAOYSA-N"	"?"
"765"	"98-82-8"	"Cumene"	"DTXSID1021827"	"CC(C)C1C=CC=CC=1"	"InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3"	"RWGFKTVRMDUZSP-UHFFFAOYSA-N"	"?"
"766"	"25476-46-4"			"CCS(=O)CCOP(=S)(OC)OC"	"InChI=1S/C6H15O4PS2/c1-4-13(7)6-5-10-11(12,8-2)9-3/h4-6H2,1-3H3"	"QJDBYMAORKAERU-UHFFFAOYSA-N"	"?"
"767"	"372-09-8"	"Cyanoacetic acid"	"DTXSID0027149"	"N#CCC(O)=O"	"InChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)"	"MLIREBYILWEBDM-UHFFFAOYSA-N"	"?"
"768"	"6753-24-8"	"2,4-DB-butyl"	"DTXSID0041355"	"CCCCOC(=O)CCCOC1=CC=C(Cl)C=C1Cl"	"InChI=1S/C14H18Cl2O3/c1-2-3-8-19-14(17)5-4-9-18-13-7-6-11(15)10-12(13)16/h6-7,10H,2-5,8-9H2,1H3"	"IXXKVXJYFVAQBI-UHFFFAOYSA-N"	"?"
"769"	"491-37-2"	"4H-1-Benzopyran-4-one, 2,3-dihydro-"	"DTXSID3060081"	"O=C1CCOC2=CC=CC=C21"	"InChI=1S/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2"	"MSTDXOZUKAQDRL-UHFFFAOYSA-N"	"?"
"770"	"35523-89-8"	"Saxitoxin"	"DTXSID3074313"	"[H]/N=C1\NC(COC(N)=O)C2N/C(/NC32N\1CCC3(O)O)=N/[H]"	"InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)"	"RPQXVSUAYFXFJA-UHFFFAOYSA-N"	"?"
"771"	"108670-13-9"			"CN1CCN(CCCN2C3C=C(C=CC=3SC3C=CC=CC2=3)C(=O)CC)CC1"	"InChI=1S/C23H29N3OS/c1-3-21(27)18-9-10-23-20(17-18)26(19-7-4-5-8-22(19)28-23)12-6-11-25-15-13-24(2)14-16-25/h4-5,7-10,17H,3,6,11-16H2,1-2H3"	"PKIRPXUYFBVOFQ-UHFFFAOYSA-N"	"C(=C/C(=O)O)\C(=O)O"
"772"	"143-71-5"	"Hydrocodone bitartrate"	"DTXSID40162277"	"COC1C=CC2CC3C4CCC(=O)C5OC=1C=2C45CCN3C"	"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3"	"LLPOLZWFYMWNKH-UHFFFAOYSA-N"	"[C@@H]([C@H](C(=O)O)O)(C(=O)O)O"
"773"	"62625-14-3"	"2-Amino-6-chloro-4-nitrophenol hydrochloride"	"DTXSID0024472"	"NC1C=C(C=C(Cl)C=1O)[N+]([O-])=O"	"InChI=1S/C6H5ClN2O3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H,8H2"	"TWLMSPNQBKSXOP-UHFFFAOYSA-N"	"Cl"
"774"	"99-65-0"	"1,3-Dinitrobenzene"	"DTXSID9024065"	"[O-][N+](=O)C1C=C(C=CC=1)[N+]([O-])=O"	"InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H"	"WDCYWAQPCXBPJA-UHFFFAOYSA-N"	"?"
"775"	"129-06-6"	"Sodium warfarin"	"DTXSID7035010"	"CC(=O)CC(C1=C(O)C2=CC=CC=C2OC1=O)C1C=CC=CC=1"	"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3"	"PJVWKTKQMONHTI-UHFFFAOYSA-N"	"[Na+]"
"776"	"150-68-5"	"Monuron"	"DTXSID0020311"	"CN(C)C(=O)NC1C=CC(Cl)=CC=1"	"InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)"	"BMLIZLVNXIYGCK-UHFFFAOYSA-N"	"?"
"777"	"7795-91-7"			"CCC(C)OCCO"	"InChI=1S/C6H14O2/c1-3-6(2)8-5-4-7/h6-7H,3-5H2,1-2H3"	"HUWFDQSAXOIUNP-UHFFFAOYSA-N"	"?"
"778"	"5800-19-1"	"Metiapine"	"DTXSID7020891"	"CN1CCN(CC1)C1=NC2C=CC=CC=2SC2C=CC(C)=CC=21"	"InChI=1S/C19H21N3S/c1-14-7-8-17-15(13-14)19(22-11-9-21(2)10-12-22)20-16-5-3-4-6-18(16)23-17/h3-8,13H,9-12H2,1-2H3"	"IOEPXYJOHIZYGQ-UHFFFAOYSA-N"	"?"
"779"	"583-53-9"	"1,2-Dibromobenzene"	"DTXSID0022064"	"BrC1C=CC=CC=1Br"	"InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H"	"WQONPSCCEXUXTQ-UHFFFAOYSA-N"	"?"
"780"	"74-88-4"	"Methyl iodide"	"DTXSID0024187"	"CI"	"InChI=1S/CH3I/c1-2/h1H3"	"INQOMBQAUSQDDS-UHFFFAOYSA-N"	"?"
"781"	"10043-18-2"			"CCCCOCCOCCCO"	"InChI=1S/C9H20O3/c1-2-3-6-11-8-9-12-7-4-5-10/h10H,2-9H2,1H3"	"ANYPGYQTLSGXJN-UHFFFAOYSA-N"	"?"
"782"	"142619-57-6"	"1,4-Benzenediol, bis(1-methyltridecyl)-"	"DTXSID00276122"	"CC(CCCCCCCCCCCC)C1C=C(O)C(=CC=1O)C(C)CCCCCCCCCCCC"	"InChI=1S/C34H62O2/c1-5-7-9-11-13-15-17-19-21-23-25-29(3)31-27-34(36)32(28-33(31)35)30(4)26-24-22-20-18-16-14-12-10-8-6-2/h27-30,35-36H,5-26H2,1-4H3"	"BRBROBKGYBWGSF-UHFFFAOYSA-N"	"?"
"783"	"77753-23-2"			"ClCC(Cl)=C(Cl)C(Cl)Cl"	"InChI=1S/C4H3Cl5/c5-1-2(6)3(7)4(8)9/h4H,1H2"	"XRNBDVCEBYZJLN-UHFFFAOYSA-N"	"?"
"784"	"120-55-8"	"Diethylene glycol dibenzoate"	"DTXSID0026967"	"O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1"	"InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2"	"NXQMCAOPTPLPRL-UHFFFAOYSA-N"	"?"
"785"	"50673-08-0"	"Carbamic acid, (butylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"DTXSID20198711"	"CCCCSN(C)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"InChI=1S/C16H23NO3S/c1-5-6-10-21-17(4)15(18)19-13-9-7-8-12-11-16(2,3)20-14(12)13/h7-9H,5-6,10-11H2,1-4H3"	"BIJMXDNSESMDDR-UHFFFAOYSA-N"	"?"
"786"	"6552-19-8"			"CC1C=C(C=CC=1S(C)=O)OP(C)(=S)OC"	"InChI=1S/C10H15O3PS2/c1-8-7-9(13-14(3,15)12-2)5-6-10(8)16(4)11/h5-7H,1-4H3"	"DHPHGWYFHFFKAH-UHFFFAOYSA-N"	"?"
"787"	"17372-87-1"	"Eosin"	"DTXSID0025234"	"OC(=O)C1=CC=CC=C1C1C2C=C(Br)C(O)=C(Br)C=2OC2C=1C=C(Br)C(=O)C=2Br"	"InChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)"	"AZXGXVQWEUFULR-UHFFFAOYSA-N"	"[Na+].[Na+]"
"788"	"54143-56-5"	"Flecainide acetate"	"DTXSID8020626"	"O=C(NCC1CCCCN1)C1C=C(C=CC=1OCC(F)(F)F)OCC(F)(F)F"	"InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)"	"DJBNUMBKLMJRSA-UHFFFAOYSA-N"	"CC(=O)O"
"789"	"330-54-1"	"Diuron"	"DTXSID0020446"	"CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1"	"InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)"	"XMTQQYYKAHVGBJ-UHFFFAOYSA-N"	"?"
"790"	"83-44-3"	"Deoxycholic acid"	"DTXSID0042662"	"CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C"	"InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)"	"KXGVEGMKQFWNSR-UHFFFAOYSA-N"	"?"
"791"	"52-88-0"	"Methylatropine nitrate"	"DTXSID0045543"	"C[N+]1(C)C2CC(CC1CC2)OC(=O)C(CO)C1C=CC=CC=1"	"InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1"	"PIPAJLPNWZMYQA-UHFFFAOYSA-N"	"[O-][N+]([O-])=O"
"792"	"76-13-1"	"1,1,2-Trichloro-1,2,2-trifluoroethane"	"DTXSID6021377"	"FC(F)(Cl)C(F)(Cl)Cl"	"InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8"	"AJDIZQLSFPQPEY-UHFFFAOYSA-N"	"?"
"793"	"63979-77-1"	"7H-Pyrazolo(3,4-c)pyridin-7-one, 1,6-dihydro-3-ethyl-1-(4-fluorophenyl)-"	"DTXSID50213840"	"CCC1=NN(C2C(=O)NC=CC=21)C1C=CC(F)=CC=1"	"InChI=1S/C14H12FN3O/c1-2-12-11-7-8-16-14(19)13(11)18(17-12)10-5-3-9(15)4-6-10/h3-8H,2H2,1H3,(H,16,19)"	"ULWVYGBMCGZXKZ-UHFFFAOYSA-N"	"?"
"794"	"25939-05-3"	"N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoyl chloride"	"DTXSID9042174"	"ClC1C=C(Cl)C=C(Cl)C=1NN=C(Cl)C1C=CC=CC=1"	"InChI=1S/C13H8Cl4N2/c14-9-6-10(15)12(11(16)7-9)18-19-13(17)8-4-2-1-3-5-8/h1-7,18H"	"QVMATSPQIBFRPZ-UHFFFAOYSA-N"	"?"
"795"	"577-59-3"	"2-Nitroacetophenone"	"DTXSID6025723"	"CC(=O)C1=CC=CC=C1[N+]([O-])=O"	"InChI=1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3"	"SUGXZLKUDLDTKX-UHFFFAOYSA-N"	"?"
"796"	"4360-12-7"	"Ajmaline"	"DTXSID6045537"	"CN1C2C3CC4C(CC)C(O)N3C3CC2(C(O)C43)C2=CC=CC=C12"	"InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3"	"CJDRUOGAGYHKKD-UHFFFAOYSA-N"	"?"
"797"	"37128-40-8"			"CC(C)C1=NC2C=CC=CC=2C1C(=N)C1=CN=CC=C1"	"InChI=1S/C17H17N3/c1-11(2)17-15(13-7-3-4-8-14(13)20-17)16(18)12-6-5-9-19-10-12/h3-11,15,18H,1-2H3"	"RCPUCXSOYFKRAC-UHFFFAOYSA-N"	"?"
"798"	"13908-93-5"	"1-(2-Fluoroethyl)-3-cyclohexyl-1-nitrosourea"	"DTXSID80160898"	"O=NN(CCF)C(=O)NC1CCCCC1"	"InChI=1S/C9H16FN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)"	"SIJUHDYJDHLNLY-UHFFFAOYSA-N"	"?"
"799"	"1420-07-1"	"Dinoterb"	"DTXSID7041883"	"CC(C)(C)C1C=C(C=C(C=1O)[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3"	"IIPZYDQGBIWLBU-UHFFFAOYSA-N"	"?"
"800"	"947-92-2"	"N-Nitrosodicyclohexylamine"	"DTXSID4073128"	"O=NN(C1CCCCC1)C1CCCCC1"	"InChI=1S/C12H22N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2"	"CYMNKXLBEMEABS-UHFFFAOYSA-N"	"?"
"801"	"814-94-8"	"Ethanedioic acid, tin(2+) salt (1:1)"	"DTXSID1061152"	"OC(=O)C(O)=O"	"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)"	"MUBZPKHOEPUJKR-UHFFFAOYSA-N"	"[Sn+2]"
"802"	"57647-79-7"	"Benclonidine"	"DTXSID40206347"	"O=C(C1C=CC=CC=1)N1CCN=C1NC1C(Cl)=CC=CC=1Cl"	"InChI=1S/C16H13Cl2N3O/c17-12-7-4-8-13(18)14(12)20-16-19-9-10-21(16)15(22)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)"	"YHEMKMZUJKPOCO-UHFFFAOYSA-N"	"?"
"803"	"88019-89-0"	"Heptanoic acid, 7-iodo-"	"DTXSID70236758"	"OC(=O)CCCCCCI"	"InChI=1S/C7H13IO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)"	"ZJMQLPOJWFYMME-UHFFFAOYSA-N"	"?"
"804"	"33237-74-0"	"Aprindine hydrochloride"	"DTXSID5046726"	"CCN(CCCN(C1CC2=CC=CC=C2C1)C1C=CC=CC=1)CC"	"InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3"	"NZLBHDRPUJLHCE-UHFFFAOYSA-N"	"Cl"
"805"	"90-22-2"	"Diethylmethyl(2-3-methyl-2-phenylvaleryloxy)-ethyl)ammonium bromide"	"DTXSID5049027"	"CC(CC)C(C(=O)OCC[N+](C)(CC)CC)C1C=CC=CC=1"	"InChI=1S/C19H32NO2/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3/h9-13,16,18H,6-8,14-15H2,1-5H3/q+1"	"UPPMZCXMQRVMME-UHFFFAOYSA-N"	"[Br-]"
"806"	"1646-77-1"			"COC(C)(C)C=NOC(=O)NC"	"InChI=1S/C7H14N2O3/c1-7(2,11-4)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)"	"GADFBWUKVIMHSB-UHFFFAOYSA-N"	"?"
"807"	"55406-53-6"	"3-Iodo-2-propynyl-N-butylcarbamate"	"DTXSID0028038"	"CCCCNC(=O)OCC#CI"	"InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)"	"WYVVKGNFXHOCQV-UHFFFAOYSA-N"	"?"
"808"	"100286-90-6"	"Irinotecan hydrochloride"	"DTXSID6045953"	"CCC1C2C=C(C=CC=2N=C2C3=CC4=C(COC(=O)C4(O)CC)C(=O)N3CC2=1)OC(=O)N1CCC(CC1)N1CCCCC1"	"InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3"	"UWKQSNNFCGGAFS-UHFFFAOYSA-N"	"Cl"
"809"	"2100-17-6"	"4-Pentenal"	"DTXSID1062178"	"C=CCCC=O"	"InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2"	"QUMSUJWRUHPEEJ-UHFFFAOYSA-N"	"?"
"810"	"20689-96-7"	"Benzylamine, N-ethyl-N-nitroso-"	"DTXSID30174748"	"CCN(CC1C=CC=CC=1)N=O"	"InChI=1S/C9H12N2O/c1-2-11(10-12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3"	"FEMRUGMGKZBXOL-UHFFFAOYSA-N"	"?"
"811"	"22839-47-0"	"Aspartame"	"DTXSID0020107"	"COC(=O)C(CC1C=CC=CC=1)NC(=O)C(N)CC(O)=O"	"InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)"	"IAOZJIPTCAWIRG-UHFFFAOYSA-N"	"?"
"812"	"2726-03-6"			"CN(C)CCN1C(=O)C2C=CC=CC=2NC2C=C(Cl)C=CC1=2"	"InChI=1S/C17H18ClN3O/c1-20(2)9-10-21-16-8-7-12(18)11-15(16)19-14-6-4-3-5-13(14)17(21)22/h3-8,11,19H,9-10H2,1-2H3"	"IDWVKNARDDZONS-UHFFFAOYSA-N"	"?"
"813"	"218-01-9"	"Chrysene"	"DTXSID0022432"	"C1=CC2C3C=CC=CC=3C=CC=2C2C=CC=CC=21"	"InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H"	"WDECIBYCCFPHNR-UHFFFAOYSA-N"	"?"
"814"	"66-81-9"	"Cycloheximide"	"DTXSID6024882"	"CC1CC(C(O)CC2CC(=O)NC(=O)C2)C(=O)C(C)C1"	"InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)"	"YPHMISFOHDHNIV-UHFFFAOYSA-N"	"?"
"815"	"68690-90-4"	"Benzylamine, N-nitroso-alpha,alpha,N-trimethyl-"	"DTXSID40218824"	"CN(N=O)C(C)(C)C1C=CC=CC=1"	"InChI=1S/C10H14N2O/c1-10(2,12(3)11-13)9-7-5-4-6-8-9/h4-8H,1-3H3"	"BPBDCNHXICBGIK-UHFFFAOYSA-N"	"?"
"816"	"57-63-6"	"17alpha-Ethinylestradiol"	"DTXSID5020576"	"CC12CCC3C(CCC4C=C(O)C=CC=43)C1CCC2(O)C#C"	"InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3"	"BFPYWIDHMRZLRN-UHFFFAOYSA-N"	"?"
"817"	"16752-77-5"	"Methomyl"	"DTXSID1022267"	"CC(=NOC(=O)NC)SC"	"InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)"	"UHXUZOCRWCRNSJ-UHFFFAOYSA-N"	"?"
"818"	"1066-35-9"	"Silane, chlorodimethyl-"	"DTXSID0027355"	"C[SiH](C)Cl"	"InChI=1S/C2H7ClSi/c1-4(2)3/h4H,1-2H3"	"YGHUUVGIRWMJGE-UHFFFAOYSA-N"	"?"
"819"	"625-28-5"	"Isovaleronitrile"	"DTXSID0021620"	"CC(C)CC#N"	"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3"	"QHDRKFYEGYYIIK-UHFFFAOYSA-N"	"?"
"820"	"75-44-5"	"Phosgene"	"DTXSID0024260"	"O=C(Cl)Cl"	"InChI=1S/CCl2O/c2-1(3)4"	"YGYAWVDWMABLBF-UHFFFAOYSA-N"	"?"
"821"	"78-42-2"	"Tris(2-ethylhexyl) phosphate"	"DTXSID0021414"	"CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC"	"InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3"	"GTVWRXDRKAHEAD-UHFFFAOYSA-N"	"?"
"822"	"3200-06-4"	"Nafronyl oxalate"	"DTXSID6045533"	"CCN(CCOC(=O)C(CC1=CC=CC2C=CC=CC1=2)CC1CCCO1)CC"	"InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3"	"KBAFPSLPKGSANY-UHFFFAOYSA-N"	"C(C(=O)O)(=O)O"
"823"	"2265-64-7"	"Dexamethasone isonicotinate"	"DTXSID3057690"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C1C=CN=CC=1"	"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3"	"BQTXJHAJMDGOFI-UHFFFAOYSA-N"	"?"
"824"	"121-79-9"	"Propyl gallate"	"DTXSID5021201"	"CCCOC(=O)C1=CC(O)=C(O)C(O)=C1"	"InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3"	"ZTHYODDOHIVTJV-UHFFFAOYSA-N"	"?"
"825"	"121-14-2"	"2,4-Dinitrotoluene"	"DTXSID0020529"	"CC1C=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3"	"RMBFBMJGBANMMK-UHFFFAOYSA-N"	"?"
"826"	"85828-81-5"	"Benzeneacetic acid, 3,5-diiodo-4-(4-hydroxy-3-(1-methylethyl)phenoxy)-"	"DTXSID50235108"	"CC(C)C1=CC(=CC=C1O)OC1C(I)=CC(CC(O)=O)=CC=1I"	"InChI=1S/C17H16I2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)"	"KSZBMSJSJFZGRF-UHFFFAOYSA-N"	"?"
"827"	"56-72-4"	"Coumaphos"	"DTXSID2020347"	"CC1C2C=CC(=CC=2OC(=O)C=1Cl)OP(=S)(OCC)OCC"	"InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3"	"BXNANOICGRISHX-UHFFFAOYSA-N"	"?"
"828"	"106-22-9"	"Citronellol"	"DTXSID3026726"	"CC(CCO)CCC=C(C)C"	"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3"	"QMVPMAAFGQKVCJ-UHFFFAOYSA-N"	"?"
"829"	"109-79-5"	"1-Butanethiol"	"DTXSID6026824"	"CCCCS"	"InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3"	"WQAQPCDUOCURKW-UHFFFAOYSA-N"	"?"
"830"	"54-12-6"	"dl-Tryptophan"	"DTXSID0021418"	"NC(CC1=CNC2=CC=CC=C21)C(O)=O"	"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)"	"QIVBCDIJIAJPQS-UHFFFAOYSA-N"	"?"
"831"	"945-51-7"	"Phenyl sulfoxide"	"DTXSID0022141"	"O=S(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H"	"JJHHIJFTHRNPIK-UHFFFAOYSA-N"	"?"
"832"	"7173-62-8"	"1,3-Propanediamine, N-(9Z)-9-octadecenyl-"	"DTXSID0027644"	"CCCCCCCCC=CCCCCCCCCNCCCN"	"InChI=1S/C21H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-22H2,1H3"	"TUFJPPAQOXUHRI-UHFFFAOYSA-N"	"?"
"833"	"89427-09-8"	"Benzimidazole, 2,4-bis(trifluoromethyl)-6-chloro-"	"DTXSID40237671"	"FC(F)(F)C1NC2=CC(Cl)=CC(=C2N=1)C(F)(F)F"	"InChI=1S/C9H3ClF6N2/c10-3-1-4(8(11,12)13)6-5(2-3)17-7(18-6)9(14,15)16/h1-2H,(H,17,18)"	"JUWDRLQORVCZOE-UHFFFAOYSA-N"	"?"
"834"	"17959-12-5"	"Carbamic acid, methyl ((methylthio)acetyl)-, o-isopropoxyphenyl ester"	"DTXSID80170836"	"CN(C(=O)CSC)C(=O)OC1C=CC=CC=1OC(C)C"	"InChI=1S/C14H19NO4S/c1-10(2)18-11-7-5-6-8-12(11)19-14(17)15(3)13(16)9-20-4/h5-8,10H,9H2,1-4H3"	"LALUBJKCIPVVIA-UHFFFAOYSA-N"	"?"
"835"	"76-74-4"	"Pentobarbital"	"DTXSID7023435"	"CCC1(C(C)CCC)C(=O)NC(O)=NC1=O"	"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)"	"WEXRUCMBJFQVBZ-UHFFFAOYSA-N"	"?"
"836"	"27704-46-7"			"COP(=O)(OC(C1C=CC(Cl)=CC=1Cl)=C(Cl)Cl)OC"	"InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-9(10(13)14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3"	"HKVABTLWYHNNBA-UHFFFAOYSA-N"	"?"
"837"	"17321-77-6"	"Clomipramine hydrochloride"	"DTXSID3042633"	"CN(C)CCCN1C2=CC=CC=C2CCC2=CC=C(Cl)C=C12"	"InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3"	"GDLIGKIOYRNHDA-UHFFFAOYSA-N"	"Cl"
"838"	"33267-71-9"			"CCOC(C1NCC(C)(C)CN=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C15H21ClN2O/c1-4-19-13(11-5-7-12(16)8-6-11)14-17-9-15(2,3)10-18-14/h5-8,13H,4,9-10H2,1-3H3,(H,17,18)"	"NKZQEKLNOVBFRX-UHFFFAOYSA-N"	"?"
"839"	"115-32-2"	"Dicofol"	"DTXSID4020450"	"OC(C1C=CC(Cl)=CC=1)(C1C=CC(Cl)=CC=1)C(Cl)(Cl)Cl"	"InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H"	"UOAMTSKGCBMZTC-UHFFFAOYSA-N"	"?"
"840"	"2463-84-5"	"Dicapthon"	"DTXSID0041850"	"COP(=S)(OC1C=CC(=CC=1Cl)[N+]([O-])=O)OC"	"InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-8-4-3-6(10(11)12)5-7(8)9/h3-5H,1-2H3"	"OTKXWJHPGBRXCR-UHFFFAOYSA-N"	"?"
"841"	"21409-76-7"	"Phosphorothioic acid, O-(1,2-dihydro-1,6-dimethyl-2-oxo-4-pyridinyl) O,O-dimethyl ester"	"DTXSID3073426"	"CC1=CC(=CC(=O)N1C)OP(=S)(OC)OC"	"InChI=1S/C9H14NO4PS/c1-7-5-8(6-9(11)10(7)2)14-15(16,12-3)13-4/h5-6H,1-4H3"	"FLPJISDBJCTMBC-UHFFFAOYSA-N"	"?"
"842"	"732-11-6"	"Phosmet"	"DTXSID5024261"	"COP(=S)(OC)SCN1C(=O)C2C=CC=CC=2C1=O"	"InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3"	"LMNZTLDVJIUSHT-UHFFFAOYSA-N"	"?"
"843"	"2373-38-8"	"Butanedioic acid, sulfo-, 1,4-bis(1,3-dimethylbutyl) ester, sodium salt"	"DTXSID7027465"	"CC(CC(C)C)OC(=O)CC(C(=O)OC(C)CC(C)C)S(O)(=O)=O"	"InChI=1S/C16H30O7S/c1-10(2)7-12(5)22-15(17)9-14(24(19,20)21)16(18)23-13(6)8-11(3)4/h10-14H,7-9H2,1-6H3,(H,19,20,21)"	"CLJDUFMUISGSEC-UHFFFAOYSA-N"	"[Na+]"
"844"	"111-02-4"	"trans-Squalene"	"DTXSID0026044"	"CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C"	"InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3"	"YYGNTYWPHWGJRM-UHFFFAOYSA-N"	"?"
"845"	"2588-06-9"	"Phoratoxon sulfone"	"DTXSID6058346"	"CCS(=O)(=O)CSP(=O)(OCC)OCC"	"InChI=1S/C7H17O5PS2/c1-4-11-13(8,12-5-2)14-7-15(9,10)6-3/h4-7H2,1-3H3"	"IIMUEPCADBPEMF-UHFFFAOYSA-N"	"?"
"846"	"60-00-4"	"Ethylenediaminetetraacetic acid"	"DTXSID6022977"	"OC(=O)CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)"	"KCXVZYZYPLLWCC-UHFFFAOYSA-N"	"?"
"847"	"23564-05-8"	"Thiophanate-methyl"	"DTXSID1024338"	"COC(=O)NC(=S)NC1C=CC=CC=1NC(=S)NC(=O)OC"	"InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)"	"QGHREAKMXXNCOA-UHFFFAOYSA-N"	"?"
"848"	"92-04-6"	"2-Chloro-4-phenylphenol"	"DTXSID0022353"	"OC1=CC(Cl)=C(C=C1)C1C=CC=CC=1"	"InChI=1S/C12H9ClO/c13-12-8-10(14)6-7-11(12)9-4-2-1-3-5-9/h1-8,14H"	"MXORDJXBRHNWBE-UHFFFAOYSA-N"	"?"
"849"	"14667-53-9"			"CP(=S)(OCC(=C)Cl)OC1=CC=C(C=C1)[N+]([O-])=O"	"InChI=1S/C10H11ClNO4PS/c1-8(11)7-15-17(2,18)16-10-5-3-9(4-6-10)12(13)14/h3-6H,1,7H2,2H3"	"RXANTKIKQXIXAB-UHFFFAOYSA-N"	"?"
"850"	"68-36-0"	"1,4-Bis(trichloromethyl)benzene"	"DTXSID7026366"	"ClC(Cl)(Cl)C1C=CC(=CC=1)C(Cl)(Cl)Cl"	"InChI=1S/C8H4Cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H"	"OTEKOJQFKOIXMU-UHFFFAOYSA-N"	"?"
"851"	"614-39-1"	"Procainamide hydrochloride"	"DTXSID2049422"	"CCN(CCNC(=O)C1C=CC(N)=CC=1)CC"	"InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)"	"REQCZEXYDRLIBE-UHFFFAOYSA-N"	"Cl"
"852"	"4131-74-2"	"Dimethyl 3,3'-thiodipropionate"	"DTXSID0027561"	"COC(=O)CCSCCC(=O)OC"	"InChI=1S/C8H14O4S/c1-11-7(9)3-5-13-6-4-8(10)12-2/h3-6H2,1-2H3"	"MYWWWNVEZBAKHR-UHFFFAOYSA-N"	"?"
"853"	"99-97-8"	"N,N,4-Trimethylaniline"	"DTXSID0021832"	"CC1C=CC(=CC=1)N(C)C"	"InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3"	"GYVGXEWAOAAJEU-UHFFFAOYSA-N"	"?"
"854"	"3048-65-5"	"3a,4,7,7a-Tetrahydroindene"	"DTXSID0027515"	"C1C=CCC2C=CCC21"	"InChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-3,6,8-9H,4-5,7H2"	"UFERIGCCDYCZLN-UHFFFAOYSA-N"	"?"
"855"	"154-69-8"	"Tripelennamine hydrochloride"	"DTXSID6026248"	"CN(C)CCN(CC1C=CC=CC=1)C1=CC=CC=N1"	"InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3"	"UFLGIAIHIAPJJC-UHFFFAOYSA-N"	"Cl"
"856"	"66840-00-4"	"(1,1'-Biphenyl)-4-ol, 3-((diethylamino)methyl)-"	"DTXSID60216963"	"CCN(CC1=CC(=CC=C1O)C1C=CC=CC=1)CC"	"InChI=1S/C17H21NO/c1-3-18(4-2)13-16-12-15(10-11-17(16)19)14-8-6-5-7-9-14/h5-12,19H,3-4,13H2,1-2H3"	"XEFLSZGUWJUOQN-UHFFFAOYSA-N"	"?"
"857"	"134-03-2"	"Sodium L-ascorbate"	"DTXSID0020105"	"OCC(O)C1OC(=O)C(=O)C1O"	"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5,7-9H,1H2"	"KRGQEOSDQHTZMX-UHFFFAOYSA-N"	"[Na+]"
"858"	"56578-34-8"	"2-Butanone, 4-(1,1'-biphenyl)-4-yl)-"	"DTXSID60205130"	"CC(=O)CCC1C=CC(=CC=1)C1C=CC=CC=1"	"InChI=1S/C16H16O/c1-13(17)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15/h2-6,9-12H,7-8H2,1H3"	"NVIAWOHXGFMHCC-UHFFFAOYSA-N"	"?"
"859"	"77-67-8"	"Ethosuximide"	"DTXSID7023019"	"CCC1(C)CC(=O)NC1=O"	"InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)"	"HAPOVYFOVVWLRS-UHFFFAOYSA-N"	"?"
"860"	"5205-82-3"	"Bevonium metilsulfate"	"DTXSID3046615"	"C[N+]1(C)CCCCC1COC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C22H28NO3/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3/q+1"	"UHUMRJKDOOEQIG-UHFFFAOYSA-N"	"S([O-])(=O)(=O)OC"
"861"	"115-95-7"	"Linalyl acetate"	"DTXSID7026946"	"CC(C)=CCCC(C)(C=C)OC(C)=O"	"InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3"	"UWKAYLJWKGQEPM-UHFFFAOYSA-N"	"?"
"862"	"53980-88-4"	"2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-"	"DTXSID0028034"	"CCCCCCC1C=CC(CC1C(O)=O)CCCCCCCC(O)=O"	"InChI=1S/C21H36O4/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25)"	"RYKIXDBAIYMFDV-UHFFFAOYSA-N"	"?"
"863"	"108-83-8"	"Diisobutyl ketone"	"DTXSID4025080"	"CC(C)CC(=O)CC(C)C"	"InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3"	"PTTPXKJBFFKCEK-UHFFFAOYSA-N"	"?"
"864"	"16780-88-4"			"OC1(C2C=CC=CC=2C2=NCCN12)C1C=CC=CC=1"	"InChI=1S/C16H14N2O/c19-16(12-6-2-1-3-7-12)14-9-5-4-8-13(14)15-17-10-11-18(15)16/h1-9,19H,10-11H2"	"AYCFVKGYERYDRT-UHFFFAOYSA-N"	"?"
"865"	"104-91-6"	"4-Nitrosophenol"	"DTXSID0025991"	"OC1=CC=C(C=C1)N=O"	"InChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H"	"JSTCPNFNKICNNO-UHFFFAOYSA-N"	"?"
"866"	"63979-27-1"	"1,2,3-Triazole-4-carboxamide, N,N-diethyl-5-methyl-1-phenyl-"	"DTXSID70213827"	"CC1=C(N=NN1C1C=CC=CC=1)C(=O)N(CC)CC"	"InChI=1S/C14H18N4O/c1-4-17(5-2)14(19)13-11(3)18(16-15-13)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3"	"PBPCBTOCQIYTPL-UHFFFAOYSA-N"	"?"
"867"	"552-30-7"	"Trimellitic anhydride"	"DTXSID7026235"	"OC(=O)C1=CC2=C(C=C1)C(=O)OC2=O"	"InChI=1S/C9H4O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,(H,10,11)"	"SRPWOOOHEPICQU-UHFFFAOYSA-N"	"?"
"868"	"110-03-2"	"2,5-Dimethylhexane-2,5-diol"	"DTXSID0026830"	"CC(C)(O)CCC(C)(C)O"	"InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3"	"ZWNMRZQYWRLGMM-UHFFFAOYSA-N"	"?"
"869"	"4104-02-3"	"Phosphorodithioic acid, O-methyl S,S-dipropyl ester"	"DTXSID80194012"	"COP(=O)(SCCC)SCCC"	"InChI=1S/C7H17O2PS2/c1-4-6-11-10(8,9-3)12-7-5-2/h4-7H2,1-3H3"	"FAGCJRZVMYZXSR-UHFFFAOYSA-N"	"?"
"870"	"78-98-8"	"Methyl glyoxal"	"DTXSID0021628"	"CC(=O)C=O"	"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3"	"AIJULSRZWUXGPQ-UHFFFAOYSA-N"	"?"
"871"	"88167-11-7"	"Cinnamamide, N-methyl-3,4-methylenedioxythio-"	"DTXSID40236866"	"CNC(=S)C=CC1C=C2OCOC2=CC=1"	"InChI=1S/C11H11NO2S/c1-12-11(15)5-3-8-2-4-9-10(6-8)14-7-13-9/h2-6H,7H2,1H3,(H,12,15)"	"JPAGBGJUOWRAFP-UHFFFAOYSA-N"	"?"
"872"	"2550-26-7"	"Benzylacetone"	"DTXSID6033241"	"CC(=O)CCC1C=CC=CC=1"	"InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3"	"AKGGYBADQZYZPD-UHFFFAOYSA-N"	"?"
"873"	"75-98-9"	"2,2-Dimethylpropanoic acid"	"DTXSID8026432"	"CC(C)(C)C(O)=O"	"InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)"	"IUGYQRQAERSCNH-UHFFFAOYSA-N"	"?"
"874"	"122-40-7"	"Pentylcinnamaldehyde"	"DTXSID8029157"	"CCCCCC(C=O)=CC1C=CC=CC=1"	"InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3"	"HMKKIXGYKWDQSV-UHFFFAOYSA-N"	"?"
"875"	"54-84-2"			"CN(C)CCCSC1C=CC=CC=1NC(=O)C=CC1C=CC=CC=1"	"InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)"	"RSUVYMGADVXGOU-UHFFFAOYSA-N"	"Cl"
"876"	"543-49-7"	"2-Heptanol"	"DTXSID1047158"	"CCCCCC(C)O"	"InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3"	"CETWDUZRCINIHU-UHFFFAOYSA-N"	"?"
"877"	"60-32-2"	"6-Aminocaproic acid"	"DTXSID0020070"	"NCCCCCC(O)=O"	"InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)"	"SLXKOJJOQWFEFD-UHFFFAOYSA-N"	"?"
"878"	"29387-86-8"	"Propylene glycol monobutyl ether"	"DTXSID6029755"	"CCCCOC(O)CC"	"InChI=1S/C7H16O2/c1-3-5-6-9-7(8)4-2/h7-8H,3-6H2,1-2H3"	"IDQBJILTOGBZCR-UHFFFAOYSA-N"	"?"
"879"	"79201-85-7"			"CCCC1(CCN(C)CC1C)C1C=CC=C(O)C=1"	"InChI=1S/C16H25NO/c1-4-8-16(9-10-17(3)12-13(16)2)14-6-5-7-15(18)11-14/h5-7,11,13,18H,4,8-10,12H2,1-3H3"	"RTOHPIRUUAKHOZ-UHFFFAOYSA-N"	"?"
"880"	"5978-92-7"			"OC(=O)C1=CC2C=CC=CC=2C(CC2C3C=CC=CC=3C=C(C(=O)OCCOCCN3CCN(CC3)C(C3C=CC=CC=3)C3C=CC(Cl)=CC=3)C=2O)=C1O"	"InChI=1S/C44H41ClN2O7/c45-33-16-14-30(15-17-33)40(29-8-2-1-3-9-29)47-20-18-46(19-21-47)22-23-53-24-25-54-44(52)39-27-32-11-5-7-13-35(32)37(42(39)49)28-36-34-12-6-4-10-31(34)26-38(41(36)48)43(50)51/h1-17,26-27,40,48-49H,18-25,28H2,(H,50,51)"	"YENRTVJWRCAGEM-UHFFFAOYSA-N"	"?"
"881"	"53422-16-5"	"Octadecanoic acid, 12-hydroxy-, methyl ester, lithium salt"	"DTXSID0028032"	"CCCCCCC(O)CCCCCCCCCCC(=O)OC"	"InChI=1S/C19H38O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3"	"RVWOWEQKPMPWMQ-UHFFFAOYSA-N"	"[Li+]"
"882"	"58-86-6"	"D-Xylose"	"DTXSID0023745"	"OC1COC(O)C(O)C1O"	"InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2"	"SRBFZHDQGSBBOR-UHFFFAOYSA-N"	"?"
"883"	"36417-16-0"	"2-OH NAPHTHOQUINONE,3(33DICLALLYL)"	"DTXSID60877371"	"O=C1C2C=CC=CC=2C(=O)C(CC=C(Cl)Cl)C1=O"	"InChI=1S/C13H8Cl2O3/c14-10(15)6-5-9-11(16)7-3-1-2-4-8(7)12(17)13(9)18/h1-4,6,9H,5H2"	"QKBFPXINRWQPBZ-UHFFFAOYSA-N"	"?"
"884"	"24049-18-1"	"Alclofenac sodium"	"DTXSID20178795"	"C=CCOC1C=CC(CC(O)=O)=CC=1Cl"	"InChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)"	"ARHWPKZXBHOEEE-UHFFFAOYSA-N"	"[Na+]"
"885"	"89426-97-1"	"Benzimidazole, 4-chloro-6-fluoro-2-(trifluoromethyl)-"	"DTXSID20237659"	"FC1C=C(Cl)C2N=C(NC=2C=1)C(F)(F)F"	"InChI=1S/C8H3ClF4N2/c9-4-1-3(10)2-5-6(4)15-7(14-5)8(11,12)13/h1-2H,(H,14,15)"	"BGXMIJJBIRSJKL-UHFFFAOYSA-N"	"?"
"886"	"5579-85-1"	"Bromchlorenone"	"DTXSID70204356"	"O=C1NC2C=C(Cl)C(Br)=CC=2O1"	"InChI=1S/C7H3BrClNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11)"	"KVAWWXSLBDVXHJ-UHFFFAOYSA-N"	"?"
"887"	"112-54-9"	"Dodecanal"	"DTXSID6021589"	"CCCCCCCCCCCC=O"	"InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3"	"HFJRKMMYBMWEAD-UHFFFAOYSA-N"	"?"
"888"	"106-87-6"	"4-Vinyl-1-cyclohexene dioxide"	"DTXSID0020604"	"C1C2OC2CCC1C1CO1"	"InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2"	"OECTYKWYRCHAKR-UHFFFAOYSA-N"	"?"
"889"	"629-96-9"	"1-Eicosanol"	"DTXSID0027272"	"CCCCCCCCCCCCCCCCCCCCO"	"InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3"	"BTFJIXJJCSYFAL-UHFFFAOYSA-N"	"?"
"890"	"3710-84-7"	"N,N-Diethylhydroxylamine"	"DTXSID2027543"	"CCN(O)CC"	"InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3"	"FVCOIAYSJZGECG-UHFFFAOYSA-N"	"?"
"891"	"88-41-5"	"2-tert-Butylcyclohexyl acetate"	"DTXSID3036105"	"CC(=O)OC1CCCCC1C(C)(C)C"	"InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3"	"FINOAUDUYKVGDS-UHFFFAOYSA-N"	"?"
"892"	"31934-88-0"	"5-Chloro-3-methylcatechol"	"DTXSID20185767"	"CC1C=C(Cl)C=C(O)C=1O"	"InChI=1S/C7H7ClO2/c1-4-2-5(8)3-6(9)7(4)10/h2-3,9-10H,1H3"	"DEMKYMVOIBWYAM-UHFFFAOYSA-N"	"?"
"893"	"17969-20-9"	"Fenclozic acid"	"DTXSID4046157"	"OC(=O)CC1=CSC(=N1)C1C=CC(Cl)=CC=1"	"InChI=1S/C11H8ClNO2S/c12-8-3-1-7(2-4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)"	"APBSKHYXXKHJFK-UHFFFAOYSA-N"	"?"
"894"	"2421-28-5"	"Benzophenonetetracarboxylic dianhydride"	"DTXSID3029233"	"O=C(C1=CC2=C(C=C1)C(=O)OC2=O)C1=CC2=C(C=C1)C(=O)OC2=O"	"InChI=1S/C17H6O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6H"	"VQVIHDPBMFABCQ-UHFFFAOYSA-N"	"?"
"895"	"763-69-9"	"Ethyl 3-ethoxypropionate"	"DTXSID0027309"	"CCOC(=O)CCOCC"	"InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3"	"BHXIWUJLHYHGSJ-UHFFFAOYSA-N"	"?"
"896"	"57227-16-4"			"CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C1C=CC=CC=1"	"InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)"	"FDBWMYOFXWMGEY-UHFFFAOYSA-N"	"Cl"
"897"	"40203-73-4"	"Methyl cyclopentylideneacetate"	"DTXSID2052077"	"COC(=O)C=C1CCCC1"	"InChI=1S/C8H12O2/c1-10-8(9)6-7-4-2-3-5-7/h6H,2-5H2,1H3"	"ZDBCSZOFHPULAS-UHFFFAOYSA-N"	"?"
"898"	"33236-18-9"			"CC1CN=C(N1)C(OCC)C1C=CC=CC=1"	"InChI=1S/C13H18N2O/c1-3-16-12(11-7-5-4-6-8-11)13-14-9-10(2)15-13/h4-8,10,12H,3,9H2,1-2H3,(H,14,15)"	"QQBOGZMGQOAYOZ-UHFFFAOYSA-N"	"?"
"899"	"24632-47-1"	"Nifurpipone"	"DTXSID40179380"	"CN1CCN(CC(=O)NN=CC2=CC=C(O2)[N+]([O-])=O)CC1"	"InChI=1S/C12H17N5O4/c1-15-4-6-16(7-5-15)9-11(18)14-13-8-10-2-3-12(21-10)17(19)20/h2-3,8H,4-7,9H2,1H3,(H,14,18)"	"FHHFNHFFCVLLHX-UHFFFAOYSA-N"	"?"
"900"	"110-54-3"	"n-Hexane"	"DTXSID0021917"	"CCCCCC"	"InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3"	"VLKZOEOYAKHREP-UHFFFAOYSA-N"	"?"
"901"	"4715-23-5"			"CC(=O)NC1(O)C2(Cl)C3(Cl)C4(Cl)C2(Cl)C2(Cl)C(Cl)(C3(Cl)C21Cl)C4(Cl)Cl"	"InChI=1S/C12H5Cl10NO2/c1-2(24)23-12(25)9(19)3(13)4(14)8(18)6(16,10(4,12)20)5(9,15)7(3,17)11(8,21)22/h25H,1H3,(H,23,24)"	"NHQCZWZLXALKDB-UHFFFAOYSA-N"	"?"
"902"	"98-08-8"	"Benzotrifluoride"	"DTXSID2024589"	"FC(F)(F)C1C=CC=CC=1"	"InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H"	"GETTZEONDQJALK-UHFFFAOYSA-N"	"?"
"903"	"20362-98-5"	"Phosphoric acid, 3-chloro-4-nitrophenyl diethyl ester"	"DTXSID90174289"	"CCOP(=O)(OC1C=C(Cl)C(=CC=1)[N+]([O-])=O)OCC"	"InChI=1S/C10H13ClNO6P/c1-3-16-19(15,17-4-2)18-8-5-6-10(12(13)14)9(11)7-8/h5-7H,3-4H2,1-2H3"	"KYXXDAVAUNRJME-UHFFFAOYSA-N"	"?"
"904"	"78816-67-8"			"CN(C)CC(=O)N1C2C=CC=CC=2CCC2C=CC(=CC1=2)NC(=O)OCC"	"InChI=1S/C21H25N3O3/c1-4-27-21(26)22-17-12-11-16-10-9-15-7-5-6-8-18(15)24(19(16)13-17)20(25)14-23(2)3/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,22,26)"	"KJAMZCVTJDTESW-UHFFFAOYSA-N"	"?"
"905"	"1809-19-4"	"Dibutyl phosphite"	"DTXSID0027438"	"CCCCOP(=O)OCCCC"	"InChI=1S/C8H19O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h12H,3-8H2,1-2H3"	"NFJPGAKRJKLOJK-UHFFFAOYSA-N"	"?"
"906"	"119-67-5"	"Benzoic acid, 2-formyl-"	"DTXSID1059490"	"OC(=O)C1C=CC=CC=1C=O"	"InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)"	"DYNFCHNNOHNJFG-UHFFFAOYSA-N"	"?"
"907"	"5716-15-4"	"Maleic hydrazide diethanolamine"	"DTXSID6025519"	"OC1C=CC(=O)NN=1"	"InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)"	"BGRDGMRNKXEXQD-UHFFFAOYSA-N"	"[NH2+](CCO)CCO"
"908"	"274-09-9"	"1,3-Benzodioxolane"	"DTXSID9051951"	"C1OC2=CC=CC=C2O1"	"InChI=1S/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2"	"FTNJQNQLEGKTGD-UHFFFAOYSA-N"	"?"
"909"	"54915-62-7"	"2-Furancarbamic acid, ethyl ester"	"DTXSID80203431"	"CCOC(=O)NC1=CC=CO1"	"InChI=1S/C7H9NO3/c1-2-10-7(9)8-6-4-3-5-11-6/h3-5H,2H2,1H3,(H,8,9)"	"FFAOPAGWHYEZPI-UHFFFAOYSA-N"	"?"
"910"	"3425-61-4"	"1,1-Dimethylpropyl hydroperoxide"	"DTXSID6029256"	"CCC(C)(C)OO"	"InChI=1S/C5H12O2/c1-4-5(2,3)7-6/h6H,4H2,1-3H3"	"XRXANEMIFVRKLN-UHFFFAOYSA-N"	"?"
"911"	"91-58-7"	"2-Chloronaphthalene"	"DTXSID8023971"	"ClC1C=C2C=CC=CC2=CC=1"	"InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H"	"CGYGETOMCSJHJU-UHFFFAOYSA-N"	"?"
"912"	"329-01-1"	"1-Isocyanato-3-(trifluoromethyl)benzene"	"DTXSID0027143"	"O=C=NC1C=C(C=CC=1)C(F)(F)F"	"InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H"	"SXJYSIBLFGQAND-UHFFFAOYSA-N"	"?"
"913"	"693-07-2"	"1-Chloro-2-(ethylthio)ethane"	"DTXSID3027295"	"CCSCCCl"	"InChI=1S/C4H9ClS/c1-2-6-4-3-5/h2-4H2,1H3"	"GBNVXYXIRHSYEG-UHFFFAOYSA-N"	"?"
"914"	"30560-29-3"			"CCCCCC(=O)NP(=O)(OC)SC"	"InChI=1S/C8H18NO3PS/c1-4-5-6-7-8(10)9-13(11,12-2)14-3/h4-7H2,1-3H3,(H,9,10,11)"	"HKLZEKPTKPZRQB-UHFFFAOYSA-N"	"?"
"915"	"123886-63-5"	"2H-1-Benzopyran, 7-methoxy-2,2-dimethyl-3-phenyl-4-(4-(2-propenyloxy)phenyl)-"	"DTXSID10154129"	"COC1C=CC2=C(C=1)OC(C)(C)C(=C2C1C=CC(=CC=1)OCC=C)C1C=CC=CC=1"	"InChI=1S/C27H26O3/c1-5-17-29-21-13-11-19(12-14-21)25-23-16-15-22(28-4)18-24(23)30-27(2,3)26(25)20-9-7-6-8-10-20/h5-16,18H,1,17H2,2-4H3"	"DMQBARJBKYJCSC-UHFFFAOYSA-N"	"?"
"916"	"60045-37-6"			"O=C1N=C2C3=CC=CC=C3N=CN2C1=CC1C=CC=CC=1"	"InChI=1S/C17H11N3O/c21-17-15(10-12-6-2-1-3-7-12)20-11-18-14-9-5-4-8-13(14)16(20)19-17/h1-11H"	"OHAGLIMJAFDKAT-UHFFFAOYSA-N"	"?"
"917"	"7149-26-0"	"Linalyl anthranilate"	"DTXSID2025503"	"CC(C)=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1N"	"InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3"	"WHIJSULEEDNKPD-UHFFFAOYSA-N"	"?"
"918"	"143-28-2"	"(9Z)-Octadec-9-en-1-ol"	"DTXSID0022010"	"CCCCCCCCC=CCCCCCCCCO"	"InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3"	"ALSTYHKOOCGGFT-UHFFFAOYSA-N"	"?"
"919"	"92398-48-6"	"Cycloleucine hydrochloride"	"DTXSID30238990"	"NC1(CCCC1)C(O)=O"	"InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)"	"NILQLFBWTXNUOE-UHFFFAOYSA-N"	"Cl"
"920"	"77-09-8"	"Phenolphthalein"	"DTXSID0021125"	"OC1C=CC(=CC=1)C1(OC(=O)C2C=CC=CC1=2)C1C=CC(O)=CC=1"	"InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H"	"KJFMBFZCATUALV-UHFFFAOYSA-N"	"?"
"921"	"6263-38-3"	"Meturin"	"DTXSID80211672"	"CNC(=O)N(O)C1C=CC=CC=1"	"InChI=1S/C8H10N2O2/c1-9-8(11)10(12)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,9,11)"	"HLXRWUNSSVKCJL-UHFFFAOYSA-N"	"?"
"922"	"684-16-2"	"Hexafluoroacetone"	"DTXSID9043778"	"O=C(C(F)(F)F)C(F)(F)F"	"InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9"	"VBZWSGALLODQNC-UHFFFAOYSA-N"	"?"
"923"	"130-17-6"	"2-(4-Aminophenyl)-6-methylbenzothiazole sulfonic acid"	"DTXSID0024501"	"CC1C=CC2N=C(SC=2C=1S(O)(=O)=O)C1C=CC(N)=CC=1"	"InChI=1S/C14H12N2O3S2/c1-8-2-7-11-12(13(8)21(17,18)19)20-14(16-11)9-3-5-10(15)6-4-9/h2-7H,15H2,1H3,(H,17,18,19)"	"KGZUHYIHYBDNLC-UHFFFAOYSA-N"	"?"
"924"	"5436-21-5"	"4,4-Dimethoxybutanone"	"DTXSID8052196"	"CC(=O)CC(OC)OC"	"InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3"	"PJCCSZUMZMCWSX-UHFFFAOYSA-N"	"?"
"925"	"63512-64-1"	"Naphthalene, diisononyl-"	"DTXSID0028119"	"CC(C)CCCCCCC1=CC2C=C(CCCCCCC(C)C)C=CC=2C=C1"	"InChI=1S/C28H44/c1-23(2)13-9-5-7-11-15-25-17-19-27-20-18-26(22-28(27)21-25)16-12-8-6-10-14-24(3)4/h17-24H,5-16H2,1-4H3"	"ULFCXONFZSPCEM-UHFFFAOYSA-N"	"?"
"926"	"3569-57-1"	"3-Chloropropyl octyl sulfoxide"	"DTXSID5041483"	"CCCCCCCCS(=O)CCCCl"	"InChI=1S/C11H23ClOS/c1-2-3-4-5-6-7-10-14(13)11-8-9-12/h2-11H2,1H3"	"WQZLBRKHBCTDOZ-UHFFFAOYSA-N"	"?"
"927"	"78-51-3"	"Tris(2-butoxyethyl) phosphate"	"DTXSID5021758"	"CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC"	"InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3"	"WTLBZVNBAKMVDP-UHFFFAOYSA-N"	"?"
"928"	"13001-46-2"	"Potassium isobutylxanthate"	"DTXSID00156293"	"CC(C)COC(S)=S"	"InChI=1S/C5H10OS2/c1-4(2)3-6-5(7)8/h4H,3H2,1-2H3,(H,7,8)"	"KOVPITHBHSZRLT-UHFFFAOYSA-N"	"[K+]"
"929"	"25417-20-3"	"Dibutylnaphthalenesulfonic acid sodium salt"	"DTXSID6041848"	"CCCCC1C=C2C=C(CCCC)C=C(C2=CC=1)S(O)(=O)=O"	"InChI=1S/C18H24O3S/c1-3-5-7-14-9-10-17-16(11-14)12-15(8-6-4-2)13-18(17)22(19,20)21/h9-13H,3-8H2,1-2H3,(H,19,20,21)"	"DLRGPYQGIHQZBY-UHFFFAOYSA-N"	"[Na+]"
"930"	"82258-36-4"			"CCOC(=O)C1(CCCCCCOC2C=CC(Cl)=CC=2)CO1"	"InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3"	"DZLOHEOHWICNIL-UHFFFAOYSA-N"	"?"
"931"	"106-42-3"	"p-Xylene"	"DTXSID2021868"	"CC1C=CC(C)=CC=1"	"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3"	"URLKBWYHVLBVBO-UHFFFAOYSA-N"	"?"
"932"	"93-15-2"	"Methyleugenol"	"DTXSID5025607"	"COC1=CC=C(CC=C)C=C1OC"	"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3"	"ZYEMGPIYFIJGTP-UHFFFAOYSA-N"	"?"
"933"	"69709-01-9"	"N,N,N',N'-Tetramethyl-N''-(3-(trimethoxysilyl)propyl)guanidine"	"DTXSID00219998"	"CN(C)C(=NCCC[Si](OC)(OC)OC)N(C)C"	"InChI=1S/C11H27N3O3Si/c1-13(2)11(14(3)4)12-9-8-10-18(15-5,16-6)17-7/h8-10H2,1-7H3"	"ZUEIRGBMFHHKAC-UHFFFAOYSA-N"	"?"
"934"	"75-86-5"	"2-Hydroxy-2-methylpropanenitrile"	"DTXSID7025427"	"CC(C)(O)C#N"	"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3"	"MWFMGBPGAXYFAR-UHFFFAOYSA-N"	"?"
"935"	"2483-57-0"	"Nitroacetic acid methyl ester"	"DTXSID10179539"	"COC(=O)C[N+]([O-])=O"	"InChI=1S/C3H5NO4/c1-8-3(5)2-4(6)7/h2H2,1H3"	"ALBSWLMUHHZLLR-UHFFFAOYSA-N"	"?"
"936"	"6933-90-0"	"Clorprenaline hydrochloride"	"DTXSID5046699"	"CC(C)NCC(O)C1C=CC=CC=1Cl"	"InChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H3"	"SSMSBSWKLKKXGG-UHFFFAOYSA-N"	"Cl"
"937"	"63716-30-3"	"Carbanilic acid, 4-hydroxy-2,6-dimethyl-, methylcarbamate (ester)"	"DTXSID40213132"	"CNC(=O)OC1=CC(C)=C(NC(O)=O)C(C)=C1"	"InChI=1S/C11H14N2O4/c1-6-4-8(17-11(16)12-3)5-7(2)9(6)13-10(14)15/h4-5,13H,1-3H3,(H,12,16)(H,14,15)"	"XPWYTOCLVUTBNX-UHFFFAOYSA-N"	"?"
"938"	"69226-05-7"	"4-Ethyl-2,3-dihydro-1,3-thiazole-2-thiol"	"DTXSID80873451"	"CCC1CSC(S)N=1"	"InChI=1S/C5H9NS2/c1-2-4-3-8-5(7)6-4/h5,7H,2-3H2,1H3"	"RHPTURNNNYSOGP-UHFFFAOYSA-N"	"?"
"939"	"5266-97-7"	"4-Hydroxycarbaryl"	"DTXSID00200629"	"CNC(=O)OC1=CC=C(O)C2C=CC=CC=21"	"InChI=1S/C12H11NO3/c1-13-12(15)16-11-7-6-10(14)8-4-2-3-5-9(8)11/h2-7,14H,1H3,(H,13,15)"	"AXMHCYHGQSQUDN-UHFFFAOYSA-N"	"?"
"940"	"82350-97-8"	"Benzonitirle, o-((4,5,6,7-tetrahydrothieno(3,2-c)pyridin-5-yl)methyl)-, methanesulfonate"	"DTXSID90231705"	"N#CC1=CC=CC=C1CN1CC2C=CSC=2CC1"	"InChI=1S/C15H14N2S/c16-9-12-3-1-2-4-13(12)10-17-7-5-15-14(11-17)6-8-18-15/h1-4,6,8H,5,7,10-11H2"	"CTPYPCDNYYPXAG-UHFFFAOYSA-N"	"S(O)(=O)(=O)C"
"941"	"52129-71-2"	"Ethanone, 1-[4-(dipropylamino)-3,5-dinitrophenyl]-"	"DTXSID7068710"	"CC(=O)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O"	"InChI=1S/C14H19N3O5/c1-4-6-15(7-5-2)14-12(16(19)20)8-11(10(3)18)9-13(14)17(21)22/h8-9H,4-7H2,1-3H3"	"VAKVTKYOQPQPJM-UHFFFAOYSA-N"	"?"
"942"	"793-24-8"	"N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine"	"DTXSID9025114"	"CC(C)CC(C)NC1C=CC(=CC=1)NC1C=CC=CC=1"	"InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3"	"ZZMVLMVFYMGSMY-UHFFFAOYSA-N"	"?"
"943"	"4435-53-4"	"3-Methoxybutyl acetate"	"DTXSID2052106"	"COC(C)CCOC(C)=O"	"InChI=1S/C7H14O3/c1-6(9-3)4-5-10-7(2)8/h6H,4-5H2,1-3H3"	"QMYGFTJCQFEDST-UHFFFAOYSA-N"	"?"
"944"	"2971-90-6"	"Clopidol"	"DTXSID8041793"	"CC1=NC(C)=C(Cl)C(O)=C1Cl"	"InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)"	"ZDPIZLCVJAAHHR-UHFFFAOYSA-N"	"?"
"945"	"35322-07-7"	"Fosazepam"	"DTXSID10188828"	"CP(C)(=O)CN1C2C=CC(Cl)=CC=2C(=NCC1=O)C1C=CC=CC=1"	"InChI=1S/C18H18ClN2O2P/c1-24(2,23)12-21-16-9-8-14(19)10-15(16)18(20-11-17(21)22)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3"	"JMYCGCXYZZHWMO-UHFFFAOYSA-N"	"?"
"946"	"5281-13-0"	"Piprotal"	"DTXSID0042296"	"CCCCOCCOCCOC(OCCOCCOCCCC)C1=CC2OCOC=2C=C1"	"InChI=1S/C24H40O8/c1-3-5-9-25-11-13-27-15-17-29-24(21-7-8-22-23(19-21)32-20-31-22)30-18-16-28-14-12-26-10-6-4-2/h7-8,19,24H,3-6,9-18,20H2,1-2H3"	"XNRCGJVOJYKMSA-UHFFFAOYSA-N"	"?"
"947"	"70318-54-6"			"C[n]1c(C)c(N=CC2=CC(=CC=C2)OC)c(=O)[n]1C1C=CC=CC=1"	"InChI=1S/C19H19N3O2/c1-14-18(20-13-15-8-7-11-17(12-15)24-3)19(23)22(21(14)2)16-9-5-4-6-10-16/h4-13H,1-3H3"	"QLTKTTIKQFRHQF-UHFFFAOYSA-N"	"?"
"948"	"55-21-0"	"Benzamide"	"DTXSID0021709"	"NC(=O)C1C=CC=CC=1"	"InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)"	"KXDAEFPNCMNJSK-UHFFFAOYSA-N"	"?"
"949"	"42609-73-4"	"Methyldymron"	"DTXSID4058100"	"CN(/C(/O)=N/C(C)(C)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C17H20N2O/c1-17(2,14-10-6-4-7-11-14)18-16(20)19(3)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,18,20)"	"FMINYZXVCTYSNY-UHFFFAOYSA-N"	"?"
"950"	"50802-70-5"	"Carbamic acid, methyl((4-nitrophenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"DTXSID80198833"	"CN(SC1=CC=C(C=C1)[N+]([O-])=O)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"InChI=1S/C18H18N2O5S/c1-18(2)11-12-5-4-6-15(16(12)25-18)24-17(21)19(3)26-14-9-7-13(8-10-14)20(22)23/h4-10H,11H2,1-3H3"	"AJXRZXHBKCAJLS-UHFFFAOYSA-N"	"?"
"951"	"36616-49-6"			"CN1CC(CCC1)OC(=O)C(O)(C1=CC=CS1)C1C=CC=CC=1"	"InChI=1S/C18H21NO3S/c1-19-11-5-9-15(13-19)22-17(20)18(21,16-10-6-12-23-16)14-7-3-2-4-8-14/h2-4,6-8,10,12,15,21H,5,9,11,13H2,1H3"	"MZZQSAPGRDBPFR-UHFFFAOYSA-N"	"[Cl-]"
"952"	"13595-25-0"	"Phenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis-"	"DTXSID7065548"	"CC(C)(C1C=C(C=CC=1)C(C)(C)C1C=CC(O)=CC=1)C1C=CC(O)=CC=1"	"InChI=1S/C24H26O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16,25-26H,1-4H3"	"PVFQHGDIOXNKIC-UHFFFAOYSA-N"	"?"
"953"	"55-91-4"	"Diisopropyl fluorophosphate"	"DTXSID1040667"	"CC(C)OP(=O)(F)OC(C)C"	"InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3"	"MUCZHBLJLSDCSD-UHFFFAOYSA-N"	"?"
"954"	"2343-36-4"	"Faniline"	"DTXSID00177983"	"O=C(CF)NNC1C=CC=CC=1"	"InChI=1S/C8H9FN2O/c9-6-8(12)11-10-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,11,12)"	"SNFXTZXIXWPTLF-UHFFFAOYSA-N"	"?"
"955"	"57018-04-9"	"Tolclofos-methyl"	"DTXSID0034776"	"CC1C=C(Cl)C(OP(=S)(OC)OC)=C(Cl)C=1"	"InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3"	"OBZIQQJJIKNWNO-UHFFFAOYSA-N"	"?"
"956"	"126-00-1"	"Diphenolic acid"	"DTXSID0022436"	"CC(CCC(O)=O)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1"	"InChI=1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)"	"VKOUCJUTMGHNOR-UHFFFAOYSA-N"	"?"
"957"	"299-42-3"	"Ephedrine"	"DTXSID0022985"	"CC(NC)C(O)C1C=CC=CC=1"	"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3"	"KWGRBVOPPLSCSI-UHFFFAOYSA-N"	"?"
"958"	"61822-36-4"	"Diprobutine"	"DTXSID70210811"	"CCCC(N)(CCC)CCC"	"InChI=1S/C10H23N/c1-4-7-10(11,8-5-2)9-6-3/h4-9,11H2,1-3H3"	"VQIAWQKBOAUGHE-UHFFFAOYSA-N"	"?"
"959"	"64038-52-4"			"C(C1CO1)C1=CC(CC2CO2)=CC=C1"	"InChI=1S/C12H14O2/c1-2-9(5-11-7-13-11)4-10(3-1)6-12-8-14-12/h1-4,11-12H,5-8H2"	"AGXAFZNONAXBOS-UHFFFAOYSA-N"	"?"
"960"	"4170-30-3"	"Crotonaldehyde"	"DTXSID8024864"	"CC=CC=O"	"InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3"	"MLUCVPSAIODCQM-UHFFFAOYSA-N"	"?"
"961"	"584-08-7"	"Carbonic acid, dipotassium salt"	"DTXSID2036245"	"OC(O)=O"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	"[K+].[K+]"
"962"	"27859-58-1"	"Butanedioic acid, (tetrapropenyl)-"	"DTXSID0027937"	"CC=CC(C=CC)(C(O)=O)C(C=CC)(C=CC)C(O)=O"	"InChI=1S/C16H22O4/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20/h5-12H,1-4H3,(H,17,18)(H,19,20)"	"GGQRKYMKYMRZTF-UHFFFAOYSA-N"	"?"
"963"	"36335-67-8"	"Butamiphos"	"DTXSID5058068"	"CC1C=C(OP(=S)(NC(C)CC)OCC)C(=CC=1)[N+]([O-])=O"	"InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-13-9-10(3)7-8-12(13)15(16)17/h7-9,11H,5-6H2,1-4H3,(H,14,21)"	"OEYOMNZEMCPTKN-UHFFFAOYSA-N"	"?"
"964"	"123-39-7"	"N-Methylformamide"	"DTXSID0025608"	"CNC=O"	"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)"	"ATHHXGZTWNVVOU-UHFFFAOYSA-N"	"?"
"965"	"7786-17-6"	"Phenol, 2,2'-methylenebis[4-methyl-6-nonyl-"	"DTXSID9027657"	"CC1C=C(CCCCCCCCC)C(O)=C(CC2C=C(C)C=C(CCCCCCCCC)C=2O)C=1"	"InChI=1S/C33H52O2/c1-5-7-9-11-13-15-17-19-28-21-26(3)23-30(32(28)34)25-31-24-27(4)22-29(33(31)35)20-18-16-14-12-10-8-6-2/h21-24,34-35H,5-20,25H2,1-4H3"	"XQESJWNDTICJHW-UHFFFAOYSA-N"	"?"
"966"	"56518-41-3"	"Brodimoprim"	"DTXSID20205070"	"COC1=CC(CC2C=NC(N)=NC=2N)=CC(OC)=C1Br"	"InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)"	"BFCRRLMMHNLSCP-UHFFFAOYSA-N"	"?"
"967"	"95-74-9"	"3-Chloro-4-methylaniline"	"DTXSID0020286"	"CC1C=CC(N)=CC=1Cl"	"InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3"	"RQKFYFNZSHWXAW-UHFFFAOYSA-N"	"?"
"968"	"88-86-8"	"2,5-Dichloro-3-nitrobenzoic acid"	"DTXSID3041372"	"[O-][N+](=O)C1=CC(Cl)=CC(C(O)=O)=C1Cl"	"InChI=1S/C7H3Cl2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12)"	"AUAXYMOBWXOEQD-UHFFFAOYSA-N"	"?"
"969"	"260-94-6"	"Acridine"	"DTXSID8059766"	"C1=C2C=CC=CC2=NC2=CC=CC=C21"	"InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H"	"DZBUGLKDJFMEHC-UHFFFAOYSA-N"	"?"
"970"	"22304-30-9"	"Azapropazone dihydrate"	"DTXSID6022634"	"CN(C)C1=NC2=CC=C(C)C=C2N2C(=O)C(CCC)C(=O)N21"	"InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3"	"MPHPHYZQRGLTBO-UHFFFAOYSA-N"	"O.O"
"971"	"16883-45-7"			"C[N+](C)(C)C"	"InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1"	"QEMXHQIAXOOASZ-UHFFFAOYSA-N"	"[BH4-]"
"972"	"2550-75-6"	"Chlorbicyclen"	"DTXSID6041767"	"ClC1(Cl)C2(Cl)C(CCl)C(CCl)C1(Cl)C(Cl)=C2Cl"	"InChI=1S/C9H6Cl8/c10-1-3-4(2-11)8(15)6(13)5(12)7(3,14)9(8,16)17/h3-4H,1-2H2"	"FUZORIOHZSVKAW-UHFFFAOYSA-N"	"?"
"973"	"112-33-4"	"Ethanol, 2-[2-(3-aminopropoxy)ethoxy]-"	"DTXSID9059418"	"NCCCOCCOCCO"	"InChI=1S/C7H17NO3/c8-2-1-4-10-6-7-11-5-3-9/h9H,1-8H2"	"DCZMLYRQHBZWLZ-UHFFFAOYSA-N"	"?"
"974"	"89427-30-5"	"Benzimidazole, 5-methoxy-4,6,7-trifluoro-2-(trifluoromethyl)-"	"DTXSID10237688"	"COC1C(F)=C(F)C2NC(=NC=2C=1F)C(F)(F)F"	"InChI=1S/C9H4F6N2O/c1-18-7-3(11)2(10)5-6(4(7)12)17-8(16-5)9(13,14)15/h1H3,(H,16,17)"	"FNWIOHZZRITDOF-UHFFFAOYSA-N"	"?"
"975"	"62265-22-9"	"(1,4'-Bipiperidine)-4'-carboxamide, 1'-(4-(4-fluorophenyl)-4-oxobutyl)-, monohydrochloride"	"DTXSID60211317"	"NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1"	"InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)"	"AXKPFOAXAHJUAG-UHFFFAOYSA-N"	"Cl"
"976"	"3700-91-2"			"CCCOC(=O)C(CC(=O)OCCC)SP(=S)(OC)OC"	"InChI=1S/C12H23O6PS2/c1-5-7-17-11(13)9-10(12(14)18-8-6-2)21-19(20,15-3)16-4/h10H,5-9H2,1-4H3"	"YBYPIDUKLGNEGL-UHFFFAOYSA-N"	"?"
"977"	"3439-67-6"	"Su 14542"	"DTXSID60187962"	"CC(=O)C1=CC(OC)=C(C=C1)OCCCCN1CCN(CC1)C1C=CC=CC=1"	"InChI=1S/C23H30N2O3/c1-19(26)20-10-11-22(23(18-20)27-2)28-17-7-6-12-24-13-15-25(16-14-24)21-8-4-3-5-9-21/h3-5,8-11,18H,6-7,12-17H2,1-2H3"	"INLZKCSBCSPVDZ-UHFFFAOYSA-N"	"Cl"
"978"	"29025-67-0"	"1-(4-Chlorophenyl)silatrane"	"DTXSID1041215"	"ClC1=CC=C(C=C1)[Si]12OCCN(CCO1)CCO2"	"InChI=1S/C12H16ClNO3Si/c13-11-1-3-12(4-2-11)18-15-8-5-14(6-9-16-18)7-10-17-18/h1-4H,5-10H2"	"IKFVTMCLFHXPQF-UHFFFAOYSA-N"	"?"
"979"	"29730-81-2"			"NC1CC2C=CC=CC=2CC1"	"InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2"	"LCGFVWKNXLRFIF-UHFFFAOYSA-N"	"Cl"
"980"	"131-52-2"	"Sodium pentachlorophenate"	"DTXSID4040264"	"OC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl"	"InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H"	"IZUPBVBPLAPZRR-UHFFFAOYSA-N"	"[Na+]"
"981"	"4300-97-4"	"3-Chloro-2,2-dimethylpropanoyl chloride"	"DTXSID0027567"	"CC(C)(CCl)C(=O)Cl"	"InChI=1S/C5H8Cl2O/c1-5(2,3-6)4(7)8/h3H2,1-2H3"	"MQZNDDUMJVSIMH-UHFFFAOYSA-N"	"?"
"982"	"620-17-7"	"3-Ethylphenol"	"DTXSID0022480"	"CCC1C=C(O)C=CC=1"	"InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3"	"HMNKTRSOROOSPP-UHFFFAOYSA-N"	"?"
"983"	"34183-22-7"			"CCCNCC(O)COC1C=CC=CC=1C(=O)CCC1C=CC=CC=1"	"InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3"	"JWHAUXFOSRPERK-UHFFFAOYSA-N"	"Cl"
"984"	"25057-89-0"	"Bentazone"	"DTXSID0023901"	"CC(C)N1C(=O)C2C=CC=CC=2NS1(=O)=O"	"InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3"	"ZOMSMJKLGFBRBS-UHFFFAOYSA-N"	"?"
"985"	"621-77-2"	"Tripentylamine"	"DTXSID0026177"	"CCCCCN(CCCCC)CCCCC"	"InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3"	"OOHAUGDGCWURIT-UHFFFAOYSA-N"	"?"
"986"	"87-13-8"	"Diethyl ethoxymethylenemalonate"	"DTXSID5052591"	"CCOC=C(C(=O)OCC)C(=O)OCC"	"InChI=1S/C10H16O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h7H,4-6H2,1-3H3"	"LTMHNWPUDSTBKD-UHFFFAOYSA-N"	"?"
"987"	"18760-44-6"	"Thiophene, 3-(decyloxy)tetrahydro-, 1,1-dioxide"	"DTXSID0027800"	"CCCCCCCCCCOC1CS(=O)(=O)CC1"	"InChI=1S/C14H28O3S/c1-2-3-4-5-6-7-8-9-11-17-14-10-12-18(15,16)13-14/h14H,2-13H2,1H3"	"ZMLKENVAWQJBIR-UHFFFAOYSA-N"	"?"
"988"	"2869-34-3"	"Tridecylamine"	"DTXSID0022199"	"CCCCCCCCCCCCCN"	"InChI=1S/C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3"	"ABVVEAHYODGCLZ-UHFFFAOYSA-N"	"?"
"989"	"1002-62-6"	"Sodium decanoate"	"DTXSID0027351"	"CCCCCCCCCC(O)=O"	"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)"	"GHVNFZFCNZKVNT-UHFFFAOYSA-N"	"[Na+]"
"990"	"34681-23-7"	"Butoxycarboxim"	"DTXSID0041698"	"CC(=NOC(=O)NC)C(C)S(C)(=O)=O"	"InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)"	"CTJBHIROCMPUKL-UHFFFAOYSA-N"	"?"
"991"	"111-78-4"	"1,5-Cyclooctadiene"	"DTXSID0026888"	"C1CC=CCCC=C1 |c:2,6|"	"InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-"	"VYXHVRARDIDEHS-QGTKBVGQSA-N"	"?"
"992"	"92-15-9"	"N-(2-Methoxyphenyl)-3-oxobutanamide"	"DTXSID9026558"	"CC(=O)CC(=O)NC1C=CC=CC=1OC"	"InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H,12,14)"	"KYYRTDXOHQYZPO-UHFFFAOYSA-N"	"?"
"993"	"13707-88-5"			"CC(C)NCC(O)COC1C=CC=CC=1CC=C"	"InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3"	"PAZJSJFMUHDSTF-UHFFFAOYSA-N"	"Cl"
"994"	"89426-88-0"	"Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester"	"DTXSID80237650"	"COC(=O)C1C=C2NC(=NC2=CC=1)C(F)(F)F"	"InChI=1S/C10H7F3N2O2/c1-17-8(16)5-2-3-6-7(4-5)15-9(14-6)10(11,12)13/h2-4H,1H3,(H,14,15)"	"PHZVAKSKMBVEHM-UHFFFAOYSA-N"	"?"
"995"	"67746-30-9"	"2-Hexene, 1,1-diethoxy-, (2E)-"	"DTXSID50886871"	"CCCC=CC(OCC)OCC"	"InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3"	"WMQKYHTZGYIHHD-UHFFFAOYSA-N"	"?"
"996"	"100-43-6"	"4-Vinylpyridine"	"DTXSID0051499"	"C=CC1C=CN=CC=1"	"InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2"	"KFDVPJUYSDEJTH-UHFFFAOYSA-N"	"?"
"997"	"638-56-2"	"Tetraglycol dichloride"	"DTXSID90213248"	"ClCCOCCOCCOCCCl"	"InChI=1S/C8H16Cl2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2"	"ZCFRYTWBXNQVOW-UHFFFAOYSA-N"	"?"
"998"	"550-70-9"	"Triprolidine hydrochloride"	"DTXSID10872513"	"CC1=CC=C(C=C1)C(=CCN1CCCC1)C1C=CC=CN=1"	"InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3"	"CBEQULMOCCWAQT-UHFFFAOYSA-N"	"Cl"
"999"	"3278-46-4"	"Chloropon"	"DTXSID0041777"	"OC(=O)C(Cl)(Cl)CCl"	"InChI=1S/C3H3Cl3O2/c4-1-3(5,6)2(7)8/h1H2,(H,7,8)"	"QZEKHJXYZSJVCL-UHFFFAOYSA-N"	"?"
"1000"	"25913-34-2"			"CCOC(=O)C1=C(N)SC2CN(CC3C=CC=CC=3)CCC=21"	"InChI=1S/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3"	"PFENFDGYVLAFBR-UHFFFAOYSA-N"	"Cl"
"1001"	"10402-33-2"	"Eugenyl phenylacetate"	"DTXSID0047406"	"COC1=CC(CC=C)=CC=C1OC(=O)CC1=CC=CC=C1"	"InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-6,8-12H,1,7,13H2,2H3"	"JEEUACXJJPNYOL-UHFFFAOYSA-N"	"?"
"1002"	"33499-05-7"			"C[n+]1cc(C(N)=O)c(=O)[n]2C(C)CCCc12"	"InChI=1S/C11H15N3O2/c1-7-4-3-5-9-13(2)6-8(10(12)15)11(16)14(7)9/h6-7H,3-5H2,1-2H3,(H-,12,15)/p+1"	"UANRKMZNAIFBGD-UHFFFAOYSA-O"	"COS(=O)(=O)[O-]"
"1003"	"2440-22-4"	"2-(2H-Benzotriazol-2-yl)-4-methylphenol"	"DTXSID1027479"	"CC1=CC(=C(O)C=C1)N1N=C2C=CC=CC2=N1"	"InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3"	"MCPKSFINULVDNX-UHFFFAOYSA-N"	"?"
"1004"	"127-41-3"	"alpha-Ionone"	"DTXSID0035160"	"CC1=CCCC(C)(C)C1C=CC(C)=O"	"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3"	"UZFLPKAIBPNNCA-UHFFFAOYSA-N"	"?"
"1005"	"877-24-7"	"Monopotassium phthalate"	"DTXSID0042167"	"OC(=O)C1=CC=CC=C1C(O)=O"	"InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)"	"XNGIFLGASWRNHJ-UHFFFAOYSA-N"	"[K+]"
"1006"	"79-57-2"	"Oxytetracycline"	"DTXSID1034260"	"CC1(O)C2C(O)C3C(C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C2C(=O)C2=C1C=CC=C2O)N(C)C"	"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)"	"IWVCMVBTMGNXQD-UHFFFAOYSA-N"	"?"
"1007"	"140-93-2"	"Proxan-sodium"	"DTXSID8027084"	"CC(C)OC(S)=S"	"InChI=1S/C4H8OS2/c1-3(2)5-4(6)7/h3H,1-2H3,(H,6,7)"	"UOJYYXATTMQQNA-UHFFFAOYSA-N"	"[Na+]"
"1008"	"123-43-3"	"Acetic acid, sulfo-"	"DTXSID8059556"	"OC(=O)CS(O)(=O)=O"	"InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)"	"AGGIJOLULBJGTQ-UHFFFAOYSA-N"	"?"
"1009"	"62971-07-7"			"CC(C(O)=O)C1C=CC(=CC=1)N1CC2CC=CCC=2C1=O"	"InChI=1S/C17H17NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-3,6-9,11H,4-5,10H2,1H3,(H,20,21)"	"SUWQAGBEBHRDQT-UHFFFAOYSA-N"	"?"
"1010"	"41519-23-7"	"(3Z)-Hex-3-en-1-yl 2-methylpropanoate"	"DTXSID0047585"	"CCC=CCCOC(=O)C(C)C"	"InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3"	"OSMAJVWUIUORGC-UHFFFAOYSA-N"	"?"
"1011"	"512-42-5"	"Sodium methyl sulfate"	"DTXSID0042406"	"COS(O)(=O)=O"	"InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4)"	"JZMJDSHXVKJFKW-UHFFFAOYSA-N"	"[Na+]"
"1012"	"120-14-9"	"Veratraldehyde"	"DTXSID7026285"	"COC1=CC=C(C=O)C=C1OC"	"InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3"	"WJUFSDZVCOTFON-UHFFFAOYSA-N"	"?"
"1013"	"31232-27-6"			"CN1CCC(CC1)=C1C2=CC=CC=C2C(O)C2C=CC=CC=21"	"InChI=1S/C20H21NO/c1-21-12-10-14(11-13-21)19-15-6-2-4-8-17(15)20(22)18-9-5-3-7-16(18)19/h2-9,20,22H,10-13H2,1H3"	"HLBRHTFSMMEHPK-UHFFFAOYSA-N"	"[Cl-]"
"1014"	"3862-21-3"			"COP(=O)(OC(Cl)C(Cl)(Cl)Cl)OC"	"InChI=1S/C4H7Cl4O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3"	"KWIDLTWZQJKRFD-UHFFFAOYSA-N"	"?"
"1015"	"548-68-5"	"Thiphenamil hydrochloride"	"DTXSID30203284"	"CCN(CCSC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1)CC"	"InChI=1S/C20H25NOS/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3"	"WHLUQAYNVOGZST-UHFFFAOYSA-N"	"Cl"
"1016"	"142-19-8"	"Prop-2-en-1-yl heptanoate"	"DTXSID3044754"	"CCCCCCC(=O)OCC=C"	"InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3"	"SJWKGDGUQTWDRV-UHFFFAOYSA-N"	"?"
"1017"	"1949-45-7"	"Metrizoic acid"	"DTXSID6023311"	"CC(=O)N(C)C1C(I)=C(C(O)=O)C(I)=C(NC(C)=O)C=1I"	"InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)"	"GGGDNPWHMNJRFN-UHFFFAOYSA-N"	"?"
"1018"	"107-92-6"	"Butanoic acid"	"DTXSID8021515"	"CCCC(O)=O"	"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)"	"FERIUCNNQQJTOY-UHFFFAOYSA-N"	"?"
"1019"	"8000-34-8"			"COC(=O)C(N)CC1=CNC=N1"	"InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)"	"BXRMEWOQUXOLDH-UHFFFAOYSA-N"	"Cl"
"1020"	"3680-02-2"	"Methyl vinyl sulfone"	"DTXSID1031628"	"CS(=O)(=O)C=C"	"InChI=1S/C3H6O2S/c1-3-6(2,4)5/h3H,1H2,2H3"	"WUIJTQZXUURFQU-UHFFFAOYSA-N"	"?"
"1021"	"102-20-5"	"2-Phenylethyl phenylacetate"	"DTXSID0044494"	"O=C(CC1C=CC=CC=1)OCCC1C=CC=CC=1"	"InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2"	"ZOZIRNMDEZKZHM-UHFFFAOYSA-N"	"?"
"1022"	"109-42-2"	"Butyl undec-10-enoate"	"DTXSID4047624"	"CCCCOC(=O)CCCCCCCCC=C"	"InChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3"	"GRAORJFMGCQWRN-UHFFFAOYSA-N"	"?"
"1023"	"874-23-7"	"Cyclohexanone,2-acetyl-"	"DTXSID0049365"	"CC(=O)C1CCCCC1=O"	"InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3"	"OEKATORRSPXJHE-UHFFFAOYSA-N"	"?"
"1024"	"71392-29-5"			"CN1C=C(C(N)=O)C(=O)N2C1CCCC2C"	"InChI=1S/C11H17N3O2/c1-7-4-3-5-9-13(2)6-8(10(12)15)11(16)14(7)9/h6-7,9H,3-5H2,1-2H3,(H2,12,15)"	"PDYZVPFJLHCRGG-UHFFFAOYSA-N"	"?"
"1025"	"551-06-4"	"alpha-Naphylisothiocyanate"	"DTXSID8025703"	"S=C=NC1=CC=CC2C=CC=CC=21"	"InChI=1S/C11H7NS/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H"	"JBDOSUUXMYMWQH-UHFFFAOYSA-N"	"?"
"1026"	"5187-23-5"	"(5-Ethyl-1,3-dioxan-5-yl)methanol"	"DTXSID0044949"	"CCC1(CO)COCOC1"	"InChI=1S/C7H14O3/c1-2-7(3-8)4-9-6-10-5-7/h8H,2-6H2,1H3"	"BGFBWRWYROQISE-UHFFFAOYSA-N"	"?"
"1027"	"305-85-1"	"2,6-Diiodo-4-nitrophenol"	"DTXSID4046573"	"[O-][N+](=O)C1=CC(I)=C(O)C(I)=C1"	"InChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H"	"UVGTXNPVQOQFQW-UHFFFAOYSA-N"	"?"
"1028"	"41483-43-6"	"Bupirimate"	"DTXSID6041688"	"CC1N=C(NCC)N=C(OS(=O)(=O)N(C)C)C=1CCCC"	"InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)"	"DSKJPMWIHSOYEA-UHFFFAOYSA-N"	"?"
"1029"	"498-67-9"	"(Dichlorofluoromethyl)benzene"	"DTXSID7060099"	"FC(Cl)(Cl)C1C=CC=CC=1"	"InChI=1S/C7H5Cl2F/c8-7(9,10)6-4-2-1-3-5-6/h1-5H"	"OMEURKZGLJYCGS-UHFFFAOYSA-N"	"?"
"1030"	"438-41-5"	"Chlordiazepoxide hydrochloride"	"DTXSID40880060"	"CNC1CN(=O)=C(C2=CC(Cl)=CC=C2N=1)C1C=CC=CC=1"	"InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)"	"ANTSCNMPPGJYLG-UHFFFAOYSA-N"	"Cl"
"1031"	"4948-28-1"	"cis-2-Pinanol"	"DTXSID3027582"	"CC1(C)C2CC1CCC2(C)O"	"InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3"	"YYWZKGZIIKPPJZ-UHFFFAOYSA-N"	"?"
"1032"	"57576-44-0"	"Aclarubicins"	"DTXSID1022554"	"COC(=O)C1C2C=C3C(C(=O)C4=C(C=CC=C4O)C3=O)=C(O)C=2C(CC1(O)CC)OC1CC(C(OC2CC(O)C(OC3CCC(=O)C(C)O3)C(C)O2)C(C)O1)N(C)C"	"InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3"	"USZYSDMBJDPRIF-UHFFFAOYSA-N"	"?"
"1033"	"80834-81-7"			"CCC(C(O)c1cc2ccc(=O)[nH]c2cc1)N1CCN(CC1)C1=CC(Cl)=CC=C1"	"InChI=1S/C23H26ClN3O2/c1-2-21(23(29)17-6-8-20-16(14-17)7-9-22(28)25-20)27-12-10-26(11-13-27)19-5-3-4-18(24)15-19/h3-9,14-15,21,23,29H,2,10-13H2,1H3,(H,25,28)"	"ICWSMYGKPDHCFJ-UHFFFAOYSA-N"	"?"
"1034"	"2421-07-0"			"CC1COC(C=C)O1"	"InChI=1S/C6H10O2/c1-3-6-7-4-5(2)8-6/h3,5-6H,1,4H2,2H3"	"BGIDUFCVXOXJNO-UHFFFAOYSA-N"	"?"
"1035"	"108-22-5"	"Isopropenyl acetate"	"DTXSID3031492"	"CC(=O)OC(C)=C"	"InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3"	"HETCEOQFVDFGSY-UHFFFAOYSA-N"	"?"
"1036"	"2313-91-9"			"CC(=O)N(C)C(=O)OC1=CC(=CC=C1)C(C)(C)C"	"InChI=1S/C14H19NO3/c1-10(16)15(5)13(17)18-12-8-6-7-11(9-12)14(2,3)4/h6-9H,1-5H3"	"SURJMTNWHVPQHM-UHFFFAOYSA-N"	"?"
"1037"	"3647-69-6"	"4-(2-Chloroethyl)morpholine hydrochloride (1:1)"	"DTXSID0052043"	"ClCCN1CCOCC1"	"InChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2"	"ZAPMTSHEXFEPSD-UHFFFAOYSA-N"	"Cl"
"1038"	"68951-39-3"	"1,2-Benzenedicarboxylic acid, C4-13-branched alkyl esters"	"DTXSID0028901"	"CC(COC(=O)C1C=CC=CC=1C(=O)OCC(C)CC)CC"	"InChI=1S/C18H26O4/c1-5-13(3)11-21-17(19)15-9-7-8-10-16(15)18(20)22-12-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3"	"MZLKGKRQKLIVBS-UHFFFAOYSA-N"	"?"
"1039"	"20724-76-9"			"NCCCCCNCCSP(O)(O)=O"	"InChI=1S/C7H19N2O3PS/c8-4-2-1-3-5-9-6-7-14-13(10,11)12/h9H,1-8H2,(H2,10,11,12)"	"QFAVBLKMVBLZHV-UHFFFAOYSA-N"	"?"
"1040"	"29104-30-1"	"Benzomate"	"DTXSID8041660"	"CCON=C(OC(=O)C1C=CC=CC=1)C1C(OC)=C(Cl)C=CC=1OC"	"InChI=1S/C18H18ClNO5/c1-4-24-20-17(25-18(21)12-8-6-5-7-9-12)15-14(22-2)11-10-13(19)16(15)23-3/h5-11H,4H2,1-3H3"	"BZMIHNKNQJJVRO-UHFFFAOYSA-N"	"?"
"1041"	"63307-61-9"			"CN(C1CN(CC1)C1CCCCC1)C(=O)C1C=CC(N)=CC=1"	"InChI=1S/C18H27N3O/c1-20(18(22)14-7-9-15(19)10-8-14)17-11-12-21(13-17)16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-13,19H2,1H3"	"BCZLLYRBOISBCG-UHFFFAOYSA-N"	"C(=C/C(=O)O)\C(=O)O"
"1042"	"95-87-4"	"2,5-Dimethylphenol"	"DTXSID6025145"	"CC1=CC(O)=C(C)C=C1"	"InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3"	"NKTOLZVEWDHZMU-UHFFFAOYSA-N"	"?"
"1043"	"79660-25-6"	"Acetamide, 2,2-dichloro-N-(1,3-dioxolan-2-ylmethyl)-N-2-propenyl-"	"DTXSID0041569"	"C=CCN(CC1OCCO1)C(=O)C(Cl)Cl"	"InChI=1S/C9H13Cl2NO3/c1-2-3-12(9(13)8(10)11)6-7-14-4-5-15-7/h2,7-8H,1,3-6H2"	"OISQRMLHYOLTJL-UHFFFAOYSA-N"	"?"
"1044"	"87798-88-7"	"Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride"	"DTXSID60236641"	"CC1C(=CC=CC=1C)N1CCN(CCN2C(=O)C3=C(N=CN3C)N(C)C2=O)CC1"	"InChI=1S/C21H28N6O2/c1-15-6-5-7-17(16(15)2)26-11-8-25(9-12-26)10-13-27-20(28)18-19(22-14-23(18)3)24(4)21(27)29/h5-7,14H,8-13H2,1-4H3"	"OFSGKTQHYCPFDM-UHFFFAOYSA-N"	"Cl.Cl"
"1045"	"98-16-8"	"3-(Trifluoromethyl)aniline"	"DTXSID9024512"	"NC1=CC(=CC=C1)C(F)(F)F"	"InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2"	"VIUDTWATMPPKEL-UHFFFAOYSA-N"	"?"
"1046"	"151-21-3"	"Sodium dodecyl sulfate"	"DTXSID1026031"	"CCCCCCCCCCCCOS(O)(=O)=O"	"InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)"	"MOTZDAYCYVMXPC-UHFFFAOYSA-N"	"[Na+]"
"1047"	"22916-47-8"	"Miconazole"	"DTXSID6023319"	"ClC1C=C(Cl)C(=CC=1)C(CN1C=NC=C1)OCC1=CC=C(Cl)C=C1Cl"	"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2"	"BYBLEWFAAKGYCD-UHFFFAOYSA-N"	"?"
"1048"	"3688-08-2"	"Ethylenebis(isothiocyanate)"	"DTXSID20190356"	"S=C=NCCN=C=S"	"InChI=1S/C4H4N2S2/c7-3-5-1-2-6-4-8/h1-2H2"	"KVUYSIIZYQUVMT-UHFFFAOYSA-N"	"?"
"1049"	"590-46-5"	"Betaine hydrochloride"	"DTXSID0044446"	"C[N+](C)(C)CC(O)=O"	"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1"	"KWIUHFFTVRNATP-UHFFFAOYSA-O"	"[Cl-]"
"1050"	"68990-54-5"	"Glycerides, C14-22 mono-, acetates"	"DTXSID0028957"	"CCCCCCCCCCCCCCCCCCOCC(CO)OC(C)=O"	"InChI=1S/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-21-23(20-24)27-22(2)25/h23-24H,3-21H2,1-2H3"	"HUQABGDIJUXLRG-UHFFFAOYSA-N"	"?"
"1051"	"13475-82-6"	"2,2,4,6,6-Pentamethylheptane"	"DTXSID0042034"	"CC(CC(C)(C)C)CC(C)(C)C"	"InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3"	"VKPSKYDESGTTFR-UHFFFAOYSA-N"	"?"
"1052"	"33376-05-5"	"Imidazo(2,1-b)quinazoline, 1,2,3,5-tetrahydro-, monohydrochloride"	"DTXSID80187000"	"C1C2C=CC=CC=2NC2=NCCN21"	"InChI=1S/C10H11N3/c1-2-4-9-8(3-1)7-13-6-5-11-10(13)12-9/h1-4H,5-7H2,(H,11,12)"	"DLLZYXWYSUGNDI-UHFFFAOYSA-N"	"Cl"
"1053"	"17865-07-5"	"Propylsilanetriyl triacetate"	"DTXSID0044608"	"CCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O"	"InChI=1S/C9H16O6Si/c1-5-6-16(13-7(2)10,14-8(3)11)15-9(4)12/h5-6H2,1-4H3"	"DKGZKEKMWBGTIB-UHFFFAOYSA-N"	"?"
"1054"	"3733-63-9"	"Decloxizine"	"DTXSID40190777"	"OCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C21H28N2O2/c24-16-18-25-17-15-22-11-13-23(14-12-22)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21,24H,11-18H2"	"OXBBIHZWNDPBMQ-UHFFFAOYSA-N"	"?"
"1055"	"280-57-9"	"1,4-Diazabicyclo[2.2.2]octane"	"DTXSID0022016"	"C1CN2CCN1CC2"	"InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2"	"IMNIMPAHZVJRPE-UHFFFAOYSA-N"	"?"
"1056"	"97-90-5"	"Ethylene glycol dimethacrylate"	"DTXSID1026615"	"CC(=C)C(=O)OCCOC(=O)C(C)=C"	"InChI=1S/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3"	"STVZJERGLQHEKB-UHFFFAOYSA-N"	"?"
"1057"	"1532-02-1"	"Pentanoic acid, 4-(1-piperidinyl)cyclohexyl ester (9CI)"	"DTXSID90165273"	"CCCCC(=O)OC1CCC(CC1)N1CCCCC1"	"InChI=1S/C16H29NO2/c1-2-3-7-16(18)19-15-10-8-14(9-11-15)17-12-5-4-6-13-17/h14-15H,2-13H2,1H3"	"BELYKPLCHUFRRA-UHFFFAOYSA-N"	"?"
"1058"	"41556-26-7"	"Decanedioic acid, bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester"	"DTXSID0036479"	"CC1(C)CC(CC(C)(C)N1C)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1"	"InChI=1S/C30H56N2O4/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24/h23-24H,11-22H2,1-10H3"	"RSOILICUEWXSLA-UHFFFAOYSA-N"	"?"
"1059"	"469-61-4"	"alpha-Cedrene"	"DTXSID0047032"	"CC1(C)C2CC3(CC=C2C)C1CCC3C"	"InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3"	"IRAQOCYXUMOFCW-UHFFFAOYSA-N"	"?"
"1060"	"3615-21-2"	"Chlorflurazole"	"DTXSID0041773"	"FC(F)(F)C1NC2C=CC(Cl)=C(Cl)C=2N=1"	"InChI=1S/C8H3Cl2F3N2/c9-3-1-2-4-6(5(3)10)15-7(14-4)8(11,12)13/h1-2H,(H,14,15)"	"KSROTSBULDYPKA-UHFFFAOYSA-N"	"?"
"1061"	"66215-27-8"	"Cyromazine"	"DTXSID6023999"	"NC1=NC(NC2CC2)=NC(N)=N1"	"InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)"	"LVQDKIWDGQRHTE-UHFFFAOYSA-N"	"?"
"1062"	"108-05-4"	"Vinyl acetate"	"DTXSID3021431"	"CC(=O)OC=C"	"InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3"	"XTXRWKRVRITETP-UHFFFAOYSA-N"	"?"
"1063"	"54556-98-8"	"Propiverine hydrochloride"	"DTXSID1046847"	"CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1"	"InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3"	"QPCVHQBVMYCJOM-UHFFFAOYSA-N"	"Cl"
"1064"	"105-46-4"	"Butan-2-yl acetate"	"DTXSID0047612"	"CCC(C)OC(C)=O"	"InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3"	"DCKVNWZUADLDEH-UHFFFAOYSA-N"	"?"
"1065"	"17581-48-5"			"CCOC(=O)CC(SP(C)(=S)SCCC)C(=O)OCC"	"InChI=1S/C12H23O4PS3/c1-5-8-19-17(4,18)20-10(12(14)16-7-3)9-11(13)15-6-2/h10H,5-9H2,1-4H3"	"HEVMDYMGSQFFHE-UHFFFAOYSA-N"	"?"
"1066"	"18493-21-5"			"CNC(=O)OC1C=CC=CC=1C1OCC(C)(C)O1"	"InChI=1S/C13H17NO4/c1-13(2)8-16-11(18-13)9-6-4-5-7-10(9)17-12(15)14-3/h4-7,11H,8H2,1-3H3,(H,14,15)"	"XUVOEMYDWNRKOM-UHFFFAOYSA-N"	"?"
"1067"	"6109-97-3"	"3-Amino-9-ethylcarbazole hydrochloride"	"DTXSID2020054"	"CCN1C2C=CC(N)=CC=2C2C=CC=CC1=2"	"InChI=1S/C14H14N2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,2,15H2,1H3"	"OXEUETBFKVCRNP-UHFFFAOYSA-N"	"Cl"
"1068"	"133-53-9"	"2,4-Dichloro-3,5-dimethylphenol"	"DTXSID0041359"	"CC1C(Cl)=C(O)C=C(C)C=1Cl"	"InChI=1S/C8H8Cl2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,1-2H3"	"IYOLBFFHPZOQGW-UHFFFAOYSA-N"	"?"
"1069"	"83-41-0"	"1,2-Dimethyl-3-nitrobenzene"	"DTXSID7025132"	"CC1=C(C=CC=C1C)[N+]([O-])=O"	"InChI=1S/C8H9NO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3"	"FVHAWXWFPBPFOS-UHFFFAOYSA-N"	"?"
"1070"	"130365-36-5"			"CCC(C)NP1(=S)OCC2C=C(C=CC=2O1)[N+]([O-])=O"	"InChI=1S/C11H15N2O4PS/c1-3-8(2)12-18(19)16-7-9-6-10(13(14)15)4-5-11(9)17-18/h4-6,8H,3,7H2,1-2H3,(H,12,19)"	"QJBGTKGOASBMCL-UHFFFAOYSA-N"	"?"
"1071"	"38011-25-5"	"Disodium ethylenediaminediacetate"	"DTXSID0049575"	"OC(=O)CNCCNCC(O)=O"	"InChI=1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)"	"IFQUWYZCAGRUJN-UHFFFAOYSA-N"	"[Na+].[Na+]"
"1072"	"40487-42-1"	"Pendimethalin"	"DTXSID7024245"	"CC1=C(C(NC(CC)CC)=C(C=C1C)[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3"	"CHIFOSRWCNZCFN-UHFFFAOYSA-N"	"?"
"1073"	"1861-32-1"	"Chlorthal-dimethyl"	"DTXSID0024000"	"COC(=O)C1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)C(=O)OC"	"InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3"	"NPOJQCVWMSKXDN-UHFFFAOYSA-N"	"?"
"1074"	"31983-27-4"	"(2Z)-3,7-Dimethylocta-2,6-dienenitrile"	"DTXSID0044816"	"CC(C)=CCCC(C)=CC#N"	"InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3"	"HLCSDJLATUNSSI-UHFFFAOYSA-N"	"?"
"1075"	"105-38-4"	"Vinyl propionate"	"DTXSID9051537"	"CCC(=O)OC=C"	"InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3"	"UIWXSTHGICQLQT-UHFFFAOYSA-N"	"?"
"1076"	"62708-54-7"	"1,4-Naphthalenediamine, N1,N1-dimethyl-, hydrochloride (1:2)"	"DTXSID60886504"	"CN(C)C1=CC=C(N)C2C=CC=CC=21"	"InChI=1S/C12H14N2/c1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12/h3-8H,13H2,1-2H3"	"HLHYXKMOBCRCRR-UHFFFAOYSA-N"	"Cl.Cl"
"1077"	"86-20-4"	"9-Ethyl-3-nitro-9H-carbazole"	"DTXSID0044995"	"CCN1C2C=CC(=CC=2C2C=CC=CC1=2)[N+]([O-])=O"	"InChI=1S/C14H12N2O2/c1-2-15-13-6-4-3-5-11(13)12-9-10(16(17)18)7-8-14(12)15/h3-9H,2H2,1H3"	"WONHLSYSHMRRGO-UHFFFAOYSA-N"	"?"
"1078"	"77788-21-7"			"ClC1=CC=C(C=C1)N1N=NC2C3CC(C12)C1N=NC13"	"InChI=1S/C13H12ClN5/c14-6-1-3-7(4-2-6)19-13-9-5-8(12(13)17-18-19)10-11(9)16-15-10/h1-4,8-13H,5H2"	"DPOWHSMECVNHAT-UHFFFAOYSA-N"	"?"
"1079"	"81-83-4"	"1H-Benzo[de]isoquinoline-1,3(2H)-dione"	"DTXSID0044731"	"O=C1NC(=O)C2=CC=CC3C=CC=C1C=32"	"InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)"	"XJHABGPPCLHLLV-UHFFFAOYSA-N"	"?"
"1080"	"4107-57-7"	"1-Bromododecan-2-ol"	"DTXSID00498024"	"CCCCCCCCCCC(O)CBr"	"InChI=1S/C12H25BrO/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12,14H,2-11H2,1H3"	"QOPILZDHKUVRPM-UHFFFAOYSA-N"	"?"
"1081"	"997-70-6"	"Thiocyanic acid, 2-(dimethylamino)trimethylene ester"	"DTXSID70244217"	"CN(C)C(CSC#N)CSC#N"	"InChI=1S/C7H11N3S2/c1-10(2)7(3-11-5-8)4-12-6-9/h7H,3-4H2,1-2H3"	"BOXLJKXGZDMCIU-UHFFFAOYSA-N"	"?"
"1082"	"2680-03-7"	"N,N-Dimethylacrylamide"	"DTXSID0051944"	"CN(C)C(=O)C=C"	"InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3"	"YLGYACDQVQQZSW-UHFFFAOYSA-N"	"?"
"1083"	"99803-72-2"	"Nerbacadol"	"DTXSID70244257"	"CC1ON=CC=1C(=O)N1CCCCC1"	"InChI=1S/C10H14N2O2/c1-8-9(7-11-14-8)10(13)12-5-3-2-4-6-12/h7H,2-6H2,1H3"	"ZWNGSOLJLMBZFZ-UHFFFAOYSA-N"	"?"
"1084"	"32852-92-9"	"Ethanone, 1-(3-phenoxyphenyl)-"	"DTXSID4067727"	"CC(=O)C1C=C(C=CC=1)OC1C=CC=CC=1"	"InChI=1S/C14H12O2/c1-11(15)12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h2-10H,1H3"	"FZCDBGYCFVKRDV-UHFFFAOYSA-N"	"?"
"1085"	"3614-69-5"			"CC(C1C2=CC=CC=C2CC=1CCN(C)C)C1C=CC=CN=1"	"InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3"	"MVMQESMQSYOVGV-UHFFFAOYSA-N"	"C(=C/C(=O)O)/C(=O)O"
"1086"	"79-43-6"	"Dichloroacetic acid"	"DTXSID2020428"	"OC(=O)C(Cl)Cl"	"InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)"	"JXTHNDFMNIQAHM-UHFFFAOYSA-N"	"?"
"1087"	"1906-79-2"	"1-Ethylpyridinium bromide"	"DTXSID0049238"	"CC[N+]1C=CC=CC=1"	"InChI=1S/C7H10N/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1"	"OIDIRWZVUWCCCO-UHFFFAOYSA-N"	"[Br-]"
"1088"	"42864-78-8"	"Bevantolol hydrochloride"	"DTXSID5048633"	"CC1C=C(C=CC=1)OCC(O)CNCCC1=CC(OC)=C(C=C1)OC"	"InChI=1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3"	"HXLAFSUPPDYFEO-UHFFFAOYSA-N"	"Cl"
"1089"	"30751-05-4"	"Troxipide"	"DTXSID2023725"	"COC1C=C(C=C(OC)C=1OC)C(=O)NC1CNCCC1"	"InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)"	"YSIITVVESCNIPR-UHFFFAOYSA-N"	"?"
"1090"	"53179-11-6"	"Loperamide"	"DTXSID6045165"	"CN(C)C(=O)C(CCN1CCC(O)(CC1)C1C=CC(Cl)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3"	"RDOIQAHITMMDAJ-UHFFFAOYSA-N"	"?"
"1091"	"138-14-7"	"Deferoxamine mesylate"	"DTXSID6037649"	"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN"	"InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)"	"UBQYURCVBFRUQT-UHFFFAOYSA-N"	"CS(=O)(=O)O"
"1092"	"13822-56-5"	"3-(Trimethoxysilyl)propan-1-amine"	"DTXSID0038833"	"CO[Si](CCCN)(OC)OC"	"InChI=1S/C6H17NO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-7H2,1-3H3"	"SJECZPVISLOESU-UHFFFAOYSA-N"	"?"
"1093"	"1120-01-0"	"Sodium hexyldecyl sulfate"	"DTXSID0042400"	"CCCCCCCCCCCCCCCCOS(O)(=O)=O"	"InChI=1S/C16H34O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H,17,18,19)"	"LPTIRUACFKQDHZ-UHFFFAOYSA-N"	"[Na+]"
"1094"	"5926-26-1"	"Silane, chloromethyl-trimethoxy-"	"DTXSID10207987"	"CO[Si](CCl)(OC)OC"	"InChI=1S/C4H11ClO3Si/c1-6-9(4-5,7-2)8-3/h4H2,1-3H3"	"FPOSCXQHGOVVPD-UHFFFAOYSA-N"	"?"
"1095"	"107-04-0"	"1-Chloro-2-bromoethane"	"DTXSID4024775"	"ClCCBr"	"InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2"	"IBYHHJPAARCAIE-UHFFFAOYSA-N"	"?"
"1096"	"625-95-6"	"m-Iodotoluene"	"DTXSID5060809"	"CC1=CC(I)=CC=C1"	"InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3"	"VLCPISYURGTGLP-UHFFFAOYSA-N"	"?"
"1097"	"2597-53-7"			"CCOP(=O)(OC=CCl)N(CC)CC"	"InChI=1S/C8H17ClNO3P/c1-4-10(5-2)14(11,12-6-3)13-8-7-9/h7-8H,4-6H2,1-3H3"	"NFSRJCGFQZCJLN-UHFFFAOYSA-N"	"?"
"1098"	"300-39-0"	"3,5-Diiodo-L-tyrosine"	"DTXSID0048680"	"NC(CC1=CC(I)=C(O)C(I)=C1)C(O)=O"	"InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)"	"NYPYHUZRZVSYKL-UHFFFAOYSA-N"	"?"
"1099"	"1111-67-7"	"Copper thiocyanate"	"DTXSID0034481"	"N#CS"	"InChI=1S/CHNS/c2-1-3/h3H"	"ZMZDMBWJUHKJPS-UHFFFAOYSA-N"	"[Cu+]"
"1100"	"7081-44-9"	"Sodium cloxacillin monohydrate"	"DTXSID60110018"	"CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1=CC=CC=C1Cl"	"InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)"	"LQOLIRLGBULYKD-UHFFFAOYSA-N"	"[Na+].O"
"1101"	"617-38-9"	"Carbamic acid, dimethyldithio-, ethyl ester"	"DTXSID70210699"	"CCSC(=S)N(C)C"	"InChI=1S/C5H11NS2/c1-4-8-5(7)6(2)3/h4H2,1-3H3"	"VPNCITAAFMVUKG-UHFFFAOYSA-N"	"?"
"1102"	"1229-35-2"	"Methdilazine hydrochloride"	"DTXSID3025548"	"CN1CC(CN2C3C=CC=CC=3SC3C=CC=CC2=3)CC1"	"InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3"	"HTMIBDQKFHUPSX-UHFFFAOYSA-N"	"Cl"
"1103"	"446-35-5"	"2,4-Difluoronitrobenzene"	"DTXSID0032869"	"[O-][N+](=O)C1=CC=C(F)C=C1F"	"InChI=1S/C6H3F2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H"	"RJXOVESYJFXCGI-UHFFFAOYSA-N"	"?"
"1104"	"28947-77-5"	"1-Hexadecanamine, N,N-dihexadecyl-"	"DTXSID0029345"	"CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC"	"InChI=1S/C48H99N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49(47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-48H2,1-3H3"	"LYYLWJOKAQADDU-UHFFFAOYSA-N"	"?"
"1105"	"74680-56-1"	"1H-Imidazol-2-amine, 1-(2,6-dichlorophenyl)-4-methyl-"	"DTXSID00225655"	"CC1=CN(C(N)=N1)C1C(Cl)=CC=CC=1Cl"	"InChI=1S/C10H9Cl2N3/c1-6-5-15(10(13)14-6)9-7(11)3-2-4-8(9)12/h2-5H,1H3,(H2,13,14)"	"BHFRZBBGQRDDKU-UHFFFAOYSA-N"	"?"
"1106"	"62973-76-6"	"Azanidazole"	"DTXSID40212180"	"CN1C(=CN=C1C=CC1=CC=NC(N)=N1)[N+]([O-])=O"	"InChI=1S/C10H10N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H2,11,12,14)"	"LHIALLMPKJMSIQ-UHFFFAOYSA-N"	"?"
"1107"	"27050-38-0"			"C=CCN1CCCC1=NC1=CC(Cl)=C(Cl)C=C1"	"InChI=1S/C13H14Cl2N2/c1-2-7-17-8-3-4-13(17)16-10-5-6-11(14)12(15)9-10/h2,5-6,9H,1,3-4,7-8H2"	"YHWRSRGDHUYLIV-UHFFFAOYSA-N"	"?"
"1108"	"104-88-1"	"4-Chlorobenzaldehyde"	"DTXSID2021860"	"O=CC1C=CC(Cl)=CC=1"	"InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H"	"AVPYQKSLYISFPO-UHFFFAOYSA-N"	"?"
"1109"	"53378-71-5"	"5',6',7',8'-Tetrahydro-4a'H-dispiro[cyclohexane-1,2'-quinazoline-4',1''-cyclohexane]"	"DTXSID0052176"	"C1CCCCC21NC1(CCCCC1)N=C1CCCCC21"	"InChI=1S/C18H30N2/c1-5-11-17(12-6-1)15-9-3-4-10-16(15)19-18(20-17)13-7-2-8-14-18/h15,20H,1-14H2"	"SGXQCZNWVQHZMM-UHFFFAOYSA-N"	"?"
"1110"	"2408-20-0"	"Allyl propionate"	"DTXSID0047668"	"CCC(=O)OCC=C"	"InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3"	"XRFWKHVQMACVTA-UHFFFAOYSA-N"	"?"
"1111"	"3658-77-3"	"4-Hydroxy-2,5-dimethyl-3(2H)furanone"	"DTXSID0041517"	"CC1OC(C)C(=O)C1=O"	"InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3-4H,1-2H3"	"PUVDDHUFFRRFMN-UHFFFAOYSA-N"	"?"
"1112"	"75859-03-9"	"Rimcazole dihydrochloride"	"DTXSID2048161"	"CC1CN(CC(C)N1)CCCN1C2C=CC=CC=2C2C=CC=CC1=2"	"InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3"	"GUDVQJXODNJRIJ-UHFFFAOYSA-N"	"Cl.Cl"
"1113"	"10457-90-6"	"Bromperidol"	"DTXSID0022690"	"OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC(Br)=CC=1"	"InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2"	"RKLNONIVDFXQRX-UHFFFAOYSA-N"	"?"
"1114"	"75-94-5"	"Trichloroethenylsilane"	"DTXSID8026430"	"C=C[Si](Cl)(Cl)Cl"	"InChI=1S/C2H3Cl3Si/c1-2-6(3,4)5/h2H,1H2"	"GQIUQDDJKHLHTB-UHFFFAOYSA-N"	"?"
"1115"	"705-86-2"	"6-Pentyltetrahydro-2H-pyran-2-one"	"DTXSID0044496"	"CCCCCC1CCCC(=O)O1"	"InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3"	"GHBSPIPJMLAMEP-UHFFFAOYSA-N"	"?"
"1116"	"27970-79-2"	"3-Pentanone, 1-hydroxy-2-methyl-"	"DTXSID0029341"	"CCC(=O)C(C)CO"	"InChI=1S/C6H12O2/c1-3-6(8)5(2)4-7/h5,7H,3-4H2,1-2H3"	"JYEMLYGXHDIVRA-UHFFFAOYSA-N"	"?"
"1117"	"2270-60-2"	"Methyl citronellate"	"DTXSID0047408"	"CC(C)=CCCC(C)CC(=O)OC"	"InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,10H,5,7-8H2,1-4H3"	"ZFLPOPCZMXGUOJ-UHFFFAOYSA-N"	"?"
"1118"	"94-59-7"	"Safrole"	"DTXSID0021254"	"C=CCC1C=C2OCOC2=CC=1"	"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2"	"ZMQAAUBTXCXRIC-UHFFFAOYSA-N"	"?"
"1119"	"154862-43-8"	"3,9-Bis(2,4-dicumylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane"	"DTXSID0047119"	"CC(C)(C1C=CC=CC=1)C1C=C(C(=CC=1)OP1OCC2(COP(OC3C=CC(=CC=3C(C)(C)C3C=CC=CC=3)C(C)(C)C3C=CC=CC=3)OC2)CO1)C(C)(C)C1C=CC=CC=1"	"InChI=1S/C53H58O6P2/c1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42/h9-34H,35-38H2,1-8H3"	"WBWXVCMXGYSMQA-UHFFFAOYSA-N"	"?"
"1120"	"76840-11-4"	"Pyridine, 2-methyl-, hexachloro deriv."	"DTXSID60227655"	"ClC(Cl)C1=NC(Cl)=C(Cl)C(Cl)=C1Cl"	"InChI=1S/C6HCl6N/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h5H"	"YJBYHTLOGVFSDR-UHFFFAOYSA-N"	"?"
"1121"	"23350-58-5"			"CC=CC(N)=O"	"InChI=1S/C4H7NO/c1-2-3-4(5)6/h2-3H,1H3,(H2,5,6)"	"NQQRXZOPZBKCNF-UHFFFAOYSA-N"	"?"
"1122"	"114-07-8"	"Erythromycin"	"DTXSID4022991"	"COC1(C)CC(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3OC(C)CC(C3O)N(C)C)C2C)OC(C)C1O"	"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3"	"ULGZDMOVFRHVEP-UHFFFAOYSA-N"	"?"
"1123"	"3446-89-7"	"4-(Methylthio)benzaldehyde"	"DTXSID0033047"	"CSC1C=CC(C=O)=CC=1"	"InChI=1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3"	"QRVYABWJVXXOTN-UHFFFAOYSA-N"	"?"
"1124"	"2346-99-8"			"COP(=O)(OC1CCCCC1)SC1=CC=C(Cl)C=C1"	"InChI=1S/C13H18ClO3PS/c1-16-18(15,17-12-5-3-2-4-6-12)19-13-9-7-11(14)8-10-13/h7-10,12H,2-6H2,1H3"	"NDRKNOADOZHUQR-UHFFFAOYSA-N"	"?"
"1125"	"10052-47-8"	"N,N-Diethyl-N-methylethanaminium chloride"	"DTXSID0044498"	"C[N+](CC)(CC)CC"	"InChI=1S/C7H18N/c1-5-8(4,6-2)7-3/h5-7H2,1-4H3/q+1"	"SEACXNRNJAXIBM-UHFFFAOYSA-N"	"[Cl-]"
"1126"	"60719-84-8"	"Amrinone"	"DTXSID9022603"	"NC1=CC(=CNC1=O)C1C=CN=CC=1"	"InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)"	"RNLQIBCLLYYYFJ-UHFFFAOYSA-N"	"?"
"1127"	"106231-35-0"			"CC1OC(CC)C(=NOC(=O)NC)S1"	"InChI=1S/C8H14N2O3S/c1-4-6-7(14-5(2)12-6)10-13-8(11)9-3/h5-6H,4H2,1-3H3,(H,9,11)"	"SLCIHOVGWDQBGH-UHFFFAOYSA-N"	"?"
"1128"	"718-21-8"			"CC(N=O)C(C)(O)C#CC1C=CC=CC=1"	"InChI=1S/C12H13NO2/c1-10(13-15)12(2,14)9-8-11-6-4-3-5-7-11/h3-7,10,14H,1-2H3"	"RLBWFNOTOFJTJP-UHFFFAOYSA-N"	"?"
"1129"	"72-69-5"	"Nortriptyline"	"DTXSID9023384"	"CNCC/C=C1\C2=CC=CC=C2CCC2C=CC=CC=2\1"	"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3"	"PHVGLTMQBUFIQQ-UHFFFAOYSA-N"	"?"
"1130"	"5431-33-4"			"CCCCCCCCC=CCCCCCCCC(=O)OCC1CO1"	"InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h9-10,20H,2-8,11-19H2,1H3"	"VWYIWOYBERNXLX-UHFFFAOYSA-N"	"?"
"1131"	"25339-17-7"			"CC(C)CCCCCCCO"	"InChI=1S/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3"	"PLLBRTOLHQQAQQ-UHFFFAOYSA-N"	"?"
"1132"	"31519-22-9"	"1,4-Dihydroxy-2-naphthoic acid"	"DTXSID0037730"	"OC(=O)C1C=C(O)C2=CC=CC=C2C=1O"	"InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)"	"VOJUXHHACRXLTD-UHFFFAOYSA-N"	"?"
"1133"	"107-05-1"	"Allyl chloride"	"DTXSID4039231"	"C=CCCl"	"InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2"	"OSDWBNJEKMUWAV-UHFFFAOYSA-N"	"?"
"1134"	"97-52-9"	"2-Methoxy-4-nitroaniline"	"DTXSID0038700"	"COC1=CC(=CC=C1N)[N+]([O-])=O"	"InChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3"	"GVBHRNIWBGTNQA-UHFFFAOYSA-N"	"?"
"1135"	"63834-87-7"	"Heptanethiol, methyl-"	"DTXSID70213286"	"CCCCCCCSC"	"InChI=1S/C8H18S/c1-3-4-5-6-7-8-9-2/h3-8H2,1-2H3"	"FJDWJOQOEZRIDJ-UHFFFAOYSA-N"	"?"
"1136"	"91-20-3"	"Naphthalene"	"DTXSID8020913"	"C1=CC=CC2C=CC=CC=21"	"InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H"	"UFWIBTONFRDIAS-UHFFFAOYSA-N"	"?"
"1137"	"60264-83-7"	"o-Mentha-1,4-diene"	"DTXSID20209018"	"CC1CC=CCC=1C(C)C"	"InChI=1S/C10H16/c1-8(2)10-7-5-4-6-9(10)3/h4-5,8H,6-7H2,1-3H3"	"RXFJXUYDBQZLSW-UHFFFAOYSA-N"	"?"
"1138"	"137927-79-8"	"Acetic acid, ((6-(4-chlorophenoxy)-4-pyrimidinyl)thio)-, (1-methylethylidene)hydrazide"	"DTXSID90160405"	"CC(C)=NNC(=O)CSC1=CC(=NC=N1)OC1C=CC(Cl)=CC=1"	"InChI=1S/C15H15ClN4O2S/c1-10(2)19-20-13(21)8-23-15-7-14(17-9-18-15)22-12-5-3-11(16)4-6-12/h3-7,9H,8H2,1-2H3,(H,20,21)"	"ABBBRDQSCRMVGC-UHFFFAOYSA-N"	"?"
"1139"	"131-48-6"	"Aceneuramic acid"	"DTXSID0050425"	"CC(=O)NC(C(O)CC(=O)C(O)=O)C(O)C(O)C(O)CO"	"InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)"	"KBGAYAKRZNYFFG-UHFFFAOYSA-N"	"?"
"1140"	"132-65-0"	"Dibenzothiophene"	"DTXSID0047741"	"C1=CC=CC2SC3C=CC=CC=3C=21"	"InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H"	"IYYZUPMFVPLQIF-UHFFFAOYSA-N"	"?"
"1141"	"95-68-1"	"2,4-Dimethylaniline"	"DTXSID8026305"	"CC1=CC(C)=C(N)C=C1"	"InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3"	"CZZZABOKJQXEBO-UHFFFAOYSA-N"	"?"
"1142"	"774-55-0"	"6-Acetyl-1,2,3,4-tetrahydronaphthalene"	"DTXSID0047163"	"CC(=O)C1=CC2CCCCC=2C=C1"	"InChI=1S/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3"	"VEPUKHYQNXSSKV-UHFFFAOYSA-N"	"?"
"1143"	"3120-74-9"	"3-Methyl-4-(methylthio)phenol"	"DTXSID0051996"	"CC1C=C(O)C=CC=1SC"	"InChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3"	"VKALYYFVKBXHTF-UHFFFAOYSA-N"	"?"
"1144"	"89-81-6"	"Piperitone"	"DTXSID7052604"	"CC1CCC(C(C)C)C(=O)C=1"	"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3"	"YSTPAHQEHQSRJD-UHFFFAOYSA-N"	"?"
"1145"	"354-21-2"	"Ethane, 1,2,2-trichloro-1,1-difluoro-"	"DTXSID00861890"	"FC(F)(Cl)C(Cl)Cl"	"InChI=1S/C2HCl3F2/c3-1(4)2(5,6)7/h1H"	"FQAMAOOEZDRHHB-UHFFFAOYSA-N"	"?"
"1146"	"1843-03-4"	"Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris 2-(1,1-dimethylethyl)-5-methyl-"	"DTXSID0038883"	"CC(CC(C1=CC(=C(O)C=C1C)C(C)(C)C)C1=CC(=C(O)C=C1C)C(C)(C)C)C1=CC(=C(O)C=C1C)C(C)(C)C"	"InChI=1S/C37H52O3/c1-21(25-18-29(35(5,6)7)32(38)15-22(25)2)14-28(26-19-30(36(8,9)10)33(39)16-23(26)3)27-20-31(37(11,12)13)34(40)17-24(27)4/h15-21,28,38-40H,14H2,1-13H3"	"PRWJPWSKLXYEPD-UHFFFAOYSA-N"	"?"
"1147"	"32665-36-4"			"COC(CN1CCN(CCC(O)C2C=CC=CC=2)CC1)C1C=CC=CC=1"	"InChI=1S/C22H30N2O2/c1-26-22(20-10-6-3-7-11-20)18-24-16-14-23(15-17-24)13-12-21(25)19-8-4-2-5-9-19/h2-11,21-22,25H,12-18H2,1H3"	"QSRHLIUOSXVKTG-UHFFFAOYSA-N"	"?"
"1148"	"102-36-3"	"3,4-Dichlorophenyl isocyanate"	"DTXSID9033008"	"O=C=NC1=CC(Cl)=C(Cl)C=C1"	"InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H"	"MFUVCHZWGSJKEQ-UHFFFAOYSA-N"	"?"
"1149"	"367-12-4"	"2-Fluorophenol"	"DTXSID0047745"	"OC1C=CC=CC=1F"	"InChI=1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H"	"HFHFGHLXUCOHLN-UHFFFAOYSA-N"	"?"
"1150"	"27541-88-4"	"Quinonamid"	"DTXSID2058047"	"O=C1C(NC(=O)C(Cl)Cl)=C(Cl)C(=O)C2=CC=CC=C12"	"InChI=1S/C12H6Cl3NO3/c13-7-8(16-12(19)11(14)15)10(18)6-4-2-1-3-5(6)9(7)17/h1-4,11H,(H,16,19)"	"ZIEWAMOXCOLNSJ-UHFFFAOYSA-N"	"?"
"1151"	"5448-22-6"	"trans-2-tert-Butylcyclohexan-1-ol"	"DTXSID0052201"	"CC(C)(C)C1CCCCC1O"	"InChI=1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3"	"DLTWBMHADAJAAZ-UHFFFAOYSA-N"	"?"
"1152"	"10453-89-1"	"Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-"	"DTXSID30871866"	"CC(C)=CC1C(C(O)=O)C1(C)C"	"InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)"	"XLOPRKKSAJMMEW-UHFFFAOYSA-N"	"?"
"1153"	"826-62-0"	"2-Norbornene-5,6-dicarboxylic anhydride"	"DTXSID0047456"	"O=C1OC(=O)C2C3CC(C=C3)C12"	"InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2"	"KNDQHSIWLOJIGP-UHFFFAOYSA-N"	"?"
"1154"	"34552-82-4"	"Fluperamide hydrochloride"	"DTXSID20188091"	"CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC(=C(Cl)C=C1)C(F)(F)F)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C30H32ClF3N2O2/c1-35(2)27(37)29(22-9-5-3-6-10-22,23-11-7-4-8-12-23)17-20-36-18-15-28(38,16-19-36)24-13-14-26(31)25(21-24)30(32,33)34/h3-14,21,38H,15-20H2,1-2H3"	"WPYGCZCMGMVGNO-UHFFFAOYSA-N"	"Cl"
"1155"	"7159-34-4"	"Pyroxychlor"	"DTXSID1042362"	"COC1C=C(C=C(Cl)N=1)C(Cl)(Cl)Cl"	"InChI=1S/C7H5Cl4NO/c1-13-6-3-4(7(9,10)11)2-5(8)12-6/h2-3H,1H3"	"RPCKKUFLSMORHB-UHFFFAOYSA-N"	"?"
"1156"	"1743-13-1"	"Tetraformaltrisazine"	"DTXSID90169812"	"C1NNCN2CNNCN21"	"InChI=1S/C4H12N6/c1-5-6-3-10-4-8-7-2-9(1)10/h5-8H,1-4H2"	"RRIGVQQUVAETIG-UHFFFAOYSA-N"	"?"
"1157"	"18479-57-7"	"2,6-Dimethyloctan-2-ol"	"DTXSID0044810"	"CCC(C)CCCC(C)(C)O"	"InChI=1S/C10H22O/c1-5-9(2)7-6-8-10(3,4)11/h9,11H,5-8H2,1-4H3"	"WRFXXJKURVTLSY-UHFFFAOYSA-N"	"?"
"1158"	"22756-17-8"			"CCOP(=O)(OCC)SCSP(=O)(OCC)OCC"	"InChI=1S/C9H22O6P2S2/c1-5-12-16(10,13-6-2)18-9-19-17(11,14-7-3)15-8-4/h5-9H2,1-4H3"	"SSEJHKWNPGJOSI-UHFFFAOYSA-N"	"?"
"1159"	"24937-78-8"	"Vinyl acetate ethylene copolymer"	"DTXSID0049814"	"CC(=O)OC=C"	"InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3"	"XTXRWKRVRITETP-UHFFFAOYSA-N"	"C=C"
"1160"	"108-03-2"	"1-Nitropropane"	"DTXSID1020980"	"CCC[N+]([O-])=O"	"InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3"	"JSZOAYXJRCEYSX-UHFFFAOYSA-N"	"?"
"1161"	"51356-17-3"	"Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-3(2H)-pyridazinone"	"DTXSID20199364"	"CC(C)OP(=S)(OC(C)C)SCN1N=C(Cl)C=CC1=O"	"InChI=1S/C11H18ClN2O3PS2/c1-8(2)16-18(19,17-9(3)4)20-7-14-11(15)6-5-10(12)13-14/h5-6,8-9H,7H2,1-4H3"	"LRGQAAOEEHNMKX-UHFFFAOYSA-N"	"?"
"1162"	"111-22-8"	"Triethylene glycol dinitrate"	"DTXSID0051572"	"[O-][N+](=O)OCCOCCOCCO[N+]([O-])=O"	"InChI=1S/C6H12N2O8/c9-7(10)15-5-3-13-1-2-14-4-6-16-8(11)12/h1-6H2"	"AGCQZYRSTIRJFM-UHFFFAOYSA-N"	"?"
"1163"	"89457-09-0"	"Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester"	"DTXSID10237724"	"CCOC(=O)C1C=C2NC(=NC2=CC=1)C(F)(F)F"	"InChI=1S/C11H9F3N2O2/c1-2-18-9(17)6-3-4-7-8(5-6)16-10(15-7)11(12,13)14/h3-5H,2H2,1H3,(H,15,16)"	"WOQXCSGTWFKUSU-UHFFFAOYSA-N"	"?"
"1164"	"16714-68-4"	"1,1,2,2,3-Pentachloropropane"	"DTXSID1051777"	"ClCC(Cl)(Cl)C(Cl)Cl"	"InChI=1S/C3H3Cl5/c4-1-3(7,8)2(5)6/h2H,1H2"	"IYFMQUDCYNWFTL-UHFFFAOYSA-N"	"?"
"1165"	"78-24-0"	"2,2'-{[2,2-Bis(hydroxymethyl)propane-1,3-diyl]bis(oxymethanediyl)}bis[2-(hydroxymethyl)propane-1,3-diol]"	"DTXSID0044991"	"OCC(COCC(COCC(CO)(CO)CO)(CO)CO)(CO)CO"	"InChI=1S/C15H32O10/c16-1-13(2-17,3-18)9-24-11-15(7-22,8-23)12-25-10-14(4-19,5-20)6-21/h16-23H,1-12H2"	"PTJWCLYPVFJWMP-UHFFFAOYSA-N"	"?"
"1166"	"3568-51-2"			"CCOP(=O)(OCCCl)OC=C(Cl)Cl"	"InChI=1S/C6H10Cl3O4P/c1-2-11-14(10,12-4-3-7)13-5-6(8)9/h5H,2-4H2,1H3"	"MXFVWCLDTWOWKM-UHFFFAOYSA-N"	"?"
"1167"	"3569-78-6"	"Urea, (1-methylcyclopentyl)-"	"DTXSID40189202"	"CC1(CCCC1)NC(N)=O"	"InChI=1S/C7H14N2O/c1-7(9-6(8)10)4-2-3-5-7/h2-5H2,1H3,(H3,8,9,10)"	"SOPWCEFXKLAPKS-UHFFFAOYSA-N"	"?"
"1168"	"1119-62-6"	"3,3'-Dithiodipropionic acid"	"DTXSID0032998"	"OC(=O)CCSSCCC(O)=O"	"InChI=1S/C6H10O4S2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)"	"YCLSOMLVSHPPFV-UHFFFAOYSA-N"	"?"
"1169"	"1119-97-7"	"Tetradonium bromide"	"DTXSID0044367"	"CCCCCCCCCCCCCC[N+](C)(C)C"	"InChI=1S/C17H38N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4/h5-17H2,1-4H3/q+1"	"GLFDLEXFOHUASB-UHFFFAOYSA-N"	"[Br-]"
"1170"	"143-29-3"	"5,8,11,13,16,19-Hexaoxatricosane"	"DTXSID3027112"	"CCCCOCCOCCOCOCCOCCOCCCC"	"InChI=1S/C17H36O6/c1-3-5-7-18-9-11-20-13-15-22-17-23-16-14-21-12-10-19-8-6-4-2/h3-17H2,1-2H3"	"DKWHHTWSTXZKDW-UHFFFAOYSA-N"	"?"
"1171"	"107-44-8"	"Sarin"	"DTXSID0042371"	"CC(C)OP(C)(=O)F"	"InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3"	"DYAHQFWOVKZOOW-UHFFFAOYSA-N"	"?"
"1172"	"6379-73-3"	"Carvacryl methyl ether"	"DTXSID0047400"	"CC1=CC=C(C=C1OC)C(C)C"	"InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-8H,1-4H3"	"YVLHTQPPMZOCOW-UHFFFAOYSA-N"	"?"
"1173"	"67923-65-3"	"Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]-5-oxo-1H-pyrazol-1-yl]-, sodium salt"	"DTXSID0041640"	"CC1=NN(C2=CC(Cl)=C(C=C2Cl)S(O)(=O)=O)C(=O)C1N=NC1C=CC(=CC=1)OS(=O)(=O)C1C=CC(C)=CC=1"	"InChI=1S/C23H18Cl2N4O7S2/c1-13-3-9-17(10-4-13)38(34,35)36-16-7-5-15(6-8-16)26-27-22-14(2)28-29(23(22)30)20-11-19(25)21(12-18(20)24)37(31,32)33/h3-12,22H,1-2H3,(H,31,32,33)"	"INCYRRDSLRZAPV-UHFFFAOYSA-N"	"[Na+]"
"1174"	"3142-72-1"	"2-Methylpent-2-en-1-oic acid"	"DTXSID0051998"	"CC(=CCC)C(O)=O"	"InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)"	"JJYWRQLLQAKNAD-UHFFFAOYSA-N"	"?"
"1175"	"29168-87-4"			"COC(=O)C1C=CC(=CC=1)N=NN(C)C"	"InChI=1S/C10H13N3O2/c1-13(2)12-11-9-6-4-8(5-7-9)10(14)15-3/h4-7H,1-3H3"	"QBIUIDQLFKGAPD-UHFFFAOYSA-N"	"?"
"1176"	"79616-20-9"			"CC(C)(C)CON=CC1C(C(=O)OC(C#N)C2=CC(=CC=C2)OC2C=CC=CC=2)C1(C)C"	"InChI=1S/C26H30N2O4/c1-25(2,3)17-30-28-16-21-23(26(21,4)5)24(29)32-22(15-27)18-10-9-13-20(14-18)31-19-11-7-6-8-12-19/h6-14,16,21-23H,17H2,1-5H3"	"CFDLLXHQMCSMQV-UHFFFAOYSA-N"	"?"
"1177"	"312-94-7"	"alpha,alpha,alpha-Trifluoro-o-toluoyl chloride"	"DTXSID10185130"	"O=C(Cl)C1C=CC=CC=1C(F)(F)F"	"InChI=1S/C8H4ClF3O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4H"	"MXIUWSYTQJLIKE-UHFFFAOYSA-N"	"?"
"1178"	"640-68-6"	"D-Valine"	"DTXSID0046064"	"CC(C)C(N)C(O)=O"	"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)"	"KZSNJWFQEVHDMF-UHFFFAOYSA-N"	"?"
"1179"	"67786-25-8"	"Tetrasodium 4,4'-bis(4-(4-sulfophenylamino)-6-(bis(2-hydroxypropyl)amino)-s-triazin-2-yl)amino-2,2-stilbenedisulfonate"	"DTXSID0029397"	"CC(O)CN(CC(C)O)C1N=C(NC2C=C(C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3=NC(=NC(NC4C=CC(=CC=4)S(O)(=O)=O)=N3)N(CC(C)O)CC(C)O)=CC=2)S(O)(=O)=O)N=C(NC2C=CC(=CC=2)S(O)(=O)=O)N=1"	"InChI=1S/C44H52N12O16S4/c1-25(57)21-55(22-26(2)58)43-51-39(45-31-11-15-35(16-12-31)73(61,62)63)49-41(53-43)47-33-9-7-29(37(19-33)75(67,68)69)5-6-30-8-10-34(20-38(30)76(70,71)72)48-42-50-40(46-32-13-17-36(18-14-32)74(64,65)66)52-44(54-42)56(23-27(3)59)24-28(4)60/h5-20,25-28,57-60H,21-24H2,1-4H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54)"	"WCHNJMNABRPWNP-UHFFFAOYSA-N"	"[Na+].[Na+].[Na+]"
"1180"	"89427-37-2"	"Benzimidazole, 6-bromo-5,7-dichloro-4-methyl-2-(trifluoromethyl)-"	"DTXSID80237695"	"CC1=C2N=C(NC2=C(Cl)C(Br)=C1Cl)C(F)(F)F"	"InChI=1S/C9H4BrCl2F3N2/c1-2-4(11)3(10)5(12)7-6(2)16-8(17-7)9(13,14)15/h1H3,(H,16,17)"	"ADZMYPDRUCSMAN-UHFFFAOYSA-N"	"?"
"1181"	"50765-91-8"			"CC(C)=CCC(CCN1CCCCC1)(C(N)=O)C1C=CC=C2C=CC=CC2=1"	"InChI=1S/C24H32N2O/c1-19(2)13-14-24(23(25)27,15-18-26-16-6-3-7-17-26)22-12-8-10-20-9-4-5-11-21(20)22/h4-5,8-13H,3,6-7,14-18H2,1-2H3,(H2,25,27)"	"DRQHMYYWGQFHOV-UHFFFAOYSA-N"	"?"
"1182"	"24033-18-9"			"OC1(C2C=CC=CC=2C2=NCCN12)C1C=CC(=CC=1)C(F)(F)F"	"InChI=1S/C17H13F3N2O/c18-17(19,20)12-7-5-11(6-8-12)16(23)14-4-2-1-3-13(14)15-21-9-10-22(15)16/h1-8,23H,9-10H2"	"GOLJCLWIKGHNDS-UHFFFAOYSA-N"	"?"
"1183"	"9003-77-4"	"2-Propenoic acid, 2-ethylhexyl ester, homopolymer"	"DTXSID0050398"	"CCCCC(CC(=C)C(O)=O)CC"	"InChI=1S/C11H20O2/c1-4-6-7-10(5-2)8-9(3)11(12)13/h10H,3-8H2,1-2H3,(H,12,13)"	"FXTXRXXCMFFRTL-UHFFFAOYSA-N"	"?"
"1184"	"100330-91-4"	"Quinazopyrine"	"DTXSID60143169"	"CN1C(=O)C(NC2=NC=NC3C=CC=CC=32)=C(C)N1C1C=CC=CC=1"	"InChI=1S/C19H17N5O/c1-13-17(19(25)23(2)24(13)14-8-4-3-5-9-14)22-18-15-10-6-7-11-16(15)20-12-21-18/h3-12H,1-2H3,(H,20,21,22)"	"DXDFJGDFPHVRFF-UHFFFAOYSA-N"	"?"
"1185"	"88402-43-1"			"O=C1C2CCCCC=2C(=O)N1C1C=CC(Cl)=CC=1"	"InChI=1S/C14H12ClNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h5-8H,1-4H2"	"MJQBFSWPMMHVSM-UHFFFAOYSA-N"	"?"
"1186"	"12427-38-2"	"Maneb"	"DTXSID9020794"	"SC(=S)NCCNC(S)=S"	"InChI=1S/C4H8N2S4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H2,5,7,8)(H2,6,9,10)"	"AWYFNIZYMPNGAI-UHFFFAOYSA-N"	"[Mn+2]"
"1187"	"369-77-7"	"Cloflucarban"	"DTXSID0048684"	"O=C(NC1=CC(=C(Cl)C=C1)C(F)(F)F)NC1C=CC(Cl)=CC=1"	"InChI=1S/C14H9Cl2F3N2O/c15-8-1-3-9(4-2-8)20-13(22)21-10-5-6-12(16)11(7-10)14(17,18)19/h1-7H,(H2,20,21,22)"	"ZFSXZJXLKAJIGS-UHFFFAOYSA-N"	"?"
"1188"	"489-40-7"	"alpha-Gurjunene"	"DTXSID0052126"	"CC1CCC2C(C)CCC3C(C=12)C3(C)C"	"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3"	"SPCXZDDGSGTVAW-UHFFFAOYSA-N"	"?"
"1189"	"25739-65-5"	"C.I. Acid Yellow 17, parent"	"DTXSID0048000"	"CC1=NN(C2=CC(Cl)=C(C=C2Cl)S(O)(=O)=O)C(=O)C1N=NC1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29)"	"DWYWPBYWDAZKNX-UHFFFAOYSA-N"	"?"
"1190"	"505-65-7"	"1,3-Dioxepane"	"DTXSID0029183"	"C1OCCCCO1"	"InChI=1S/C5H10O2/c1-2-4-7-5-6-3-1/h1-5H2"	"CZLMRJZAHXYRIX-UHFFFAOYSA-N"	"?"
"1191"	"15679-13-7"	"2-Isopropyl-4-methylthiazole"	"DTXSID0047664"	"CC1=CSC(=N1)C(C)C"	"InChI=1S/C7H11NS/c1-5(2)7-8-6(3)4-9-7/h4-5H,1-3H3"	"OFLXNHNYPQPQKW-UHFFFAOYSA-N"	"?"
"1192"	"99-30-9"	"Dicloran"	"DTXSID2020426"	"NC1C(Cl)=CC(=CC=1Cl)[N+]([O-])=O"	"InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2"	"BIXZHMJUSMUDOQ-UHFFFAOYSA-N"	"?"
"1193"	"66422-95-5"	"Ethanol, 2-(2,4-diaminophenoxy)-, hydrochloride (1:2)"	"DTXSID3070462"	"NC1=CC(N)=C(C=C1)OCCO"	"InChI=1S/C8H12N2O2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4,9-10H2"	"WCPGNFONICRLCL-UHFFFAOYSA-N"	"Cl.Cl"
"1194"	"138261-41-3"	"Imidacloprid"	"DTXSID5032442"	"[O-][N+](=O)/N=C1\NCCN\1CC1C=CC(Cl)=NC=1"	"InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)"	"YWTYJOPNNQFBPC-UHFFFAOYSA-N"	"?"
"1195"	"18877-89-9"	"Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, (5-benzyl-3-furyl)methyl ester"	"DTXSID90172245"	"CC1(C)C(C(=O)OCC2C=C(CC3C=CC=CC=3)OC=2)C1(C)C"	"InChI=1S/C20H24O3/c1-19(2)17(20(19,3)4)18(21)23-13-15-11-16(22-12-15)10-14-8-6-5-7-9-14/h5-9,11-12,17H,10,13H2,1-4H3"	"SSUHZYMJFMBVRM-UHFFFAOYSA-N"	"?"
"1196"	"119-58-4"	"4,4'-Bis(dimethylamino)benzhydrol"	"DTXSID0051603"	"CN(C)C1C=CC(=CC=1)C(O)C1C=CC(=CC=1)N(C)C"	"InChI=1S/C17H22N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12,17,20H,1-4H3"	"YLZSIUVOIFJGQZ-UHFFFAOYSA-N"	"?"
"1197"	"598-55-0"	"Methyl carbamate"	"DTXSID8020834"	"COC(N)=O"	"InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)"	"GTCAXTIRRLKXRU-UHFFFAOYSA-N"	"?"
"1198"	"39660-55-4"			"CC(F)(F)C(F)(F)C(F)(F)C(O)(F)F"	"InChI=1S/C5H4F8O/c1-2(6,7)3(8,9)4(10,11)5(12,13)14/h14H,1H3"	"KUGBQWBWWNPMIT-UHFFFAOYSA-N"	"?"
"1199"	"21270-05-3"			"CC(C)C1=CC=C(C=C1)C(CBr)OCCCCCCCCCCCC"	"InChI=1S/C23H39BrO/c1-4-5-6-7-8-9-10-11-12-13-18-25-23(19-24)22-16-14-21(15-17-22)20(2)3/h14-17,20,23H,4-13,18-19H2,1-3H3"	"IGKJHIYJWOEEQC-UHFFFAOYSA-N"	"?"
"1200"	"3598-37-6"	"Acetopromazine maleate"	"DTXSID6047783"	"CN(C)CCCN1C2C=C(C=CC=2SC2C=CC=CC1=2)C(C)=O"	"InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3"	"NOSIYYJFMPDDSA-UHFFFAOYSA-N"	"C(/C=C\C(=O)O)(=O)O"
"1201"	"3681-71-8"	"(3Z)-3-Hexenyl acetate"	"DTXSID0041484"	"CCC=CCCOC(C)=O"	"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3"	"NPFVOOAXDOBMCE-UHFFFAOYSA-N"	"?"
"1202"	"67846-68-8"	"Ethanaminium, N,N-dimethyl-2-[(1-oxooctadecyl)oxy]-N-[2-[(1-oxooctadecyl)oxy]ethyl]-, chloride"	"DTXSID0029399"	"C[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC"	"InChI=1S/C42H84NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(44)46-39-37-43(3,4)38-40-47-42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-40H2,1-4H3/q+1"	"UUBKGJHHVMRJDS-UHFFFAOYSA-N"	"[Cl-]"
"1203"	"2580-78-1"	"Reactive Blue 19"	"DTXSID5025992"	"NC1=C2C(=C(C=C1S(O)(=O)=O)NC1C=C(C=CC=1)S(=O)(=O)CCOS(O)(=O)=O)C(=O)C1C=CC=CC=1C2=O"	"InChI=1S/C22H18N2O11S3/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34)"	"VGPIJNLQDSYRBZ-UHFFFAOYSA-N"	"[Na+].[Na+]"
"1204"	"35854-86-5"	"(6Z)-Non-6-en-1-ol"	"DTXSID0047587"	"CCC=CCCCCCO"	"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h3-4,10H,2,5-9H2,1H3"	"XJHRZBIBSSVCEL-UHFFFAOYSA-N"	"?"
"1205"	"371-41-5"	"4-Fluorophenol"	"DTXSID0052047"	"OC1=CC=C(F)C=C1"	"InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H"	"RHMPLDJJXGPMEX-UHFFFAOYSA-N"	"?"
"1206"	"5392-28-9"	"tetra-Aminopyrimidine sulfate"	"DTXSID0037023"	"NC1N=C(N)N=C(N)C=1N"	"InChI=1S/C4H8N6/c5-1-2(6)9-4(8)10-3(1)7/h5H2,(H6,6,7,8,9,10)"	"PZRKPUQWIFJRKZ-UHFFFAOYSA-N"	"S(=O)(=O)(O)O"
"1207"	"13674-84-5"	"Tris(2-chloroisopropyl)phosphate"	"DTXSID5026259"	"CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl"	"InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3"	"KVMPUXDNESXNOH-UHFFFAOYSA-N"	"?"
"1208"	"140-27-2"	"Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester"	"DTXSID7059694"	"CC(C)CC(=O)OCC=CC1C=CC=CC=1"	"InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3"	"FOCMOGKCPPTERB-UHFFFAOYSA-N"	"?"
"1209"	"98-23-7"	"5-tert-Butyl-1,2,3-trimethylbenzene"	"DTXSID0038702"	"CC1C=C(C=C(C)C=1C)C(C)(C)C"	"InChI=1S/C13H20/c1-9-7-12(13(4,5)6)8-10(2)11(9)3/h7-8H,1-6H3"	"ZQVJKYPEIPJEIP-UHFFFAOYSA-N"	"?"
"1210"	"470-82-6"	"1,8-Cineol"	"DTXSID4020616"	"CC1(C)OC2(C)CCC1CC2"	"InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3"	"WEEGYLXZBRQIMU-UHFFFAOYSA-N"	"?"
"1211"	"2984-65-8"			"CC1C=CC(=CC=1)SP(=S)(CC)OC"	"InChI=1S/C10H15OPS2/c1-4-12(13,11-3)14-10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3"	"ZFCPXXRQFQJJAA-UHFFFAOYSA-N"	"?"
"1212"	"78417-76-2"	"Benzamide, 5-butyl-2-hydroxy-N-(3-(trifluoromethyl)phenyl)-"	"DTXSID50229067"	"CCCCC1=CC(=C(O)C=C1)C(=O)NC1=CC(=CC=C1)C(F)(F)F"	"InChI=1S/C18H18F3NO2/c1-2-3-5-12-8-9-16(23)15(10-12)17(24)22-14-7-4-6-13(11-14)18(19,20)21/h4,6-11,23H,2-3,5H2,1H3,(H,22,24)"	"NUVRXXIKUYEYFQ-UHFFFAOYSA-N"	"?"
"1213"	"118-61-6"	"Ethyl salicylate"	"DTXSID1021958"	"CCOC(=O)C1C=CC=CC=1O"	"InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3"	"GYCKQBWUSACYIF-UHFFFAOYSA-N"	"?"
"1214"	"6410-41-9"	"C.I. Pigment Red 5"	"DTXSID0050394"	"COC1C=C(OC)C(Cl)=CC=1NC(=O)C1=CC2=CC=CC=C2C(N=NC2=CC(=CC=C2OC)S(=O)(=O)N(CC)CC)=C1O"	"InChI=1S/C30H31ClN4O7S/c1-6-35(7-2)43(38,39)19-12-13-25(40-3)24(15-19)33-34-28-20-11-9-8-10-18(20)14-21(29(28)36)30(37)32-23-16-22(31)26(41-4)17-27(23)42-5/h8-17,36H,6-7H2,1-5H3,(H,32,37)"	"LMULDSDQRQVZMW-UHFFFAOYSA-N"	"?"
"1215"	"16867-04-2"	"3-Hydroxy-2-pyridone"	"DTXSID0051782"	"O=C1CCC=NC1=O"	"InChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h3H,1-2H2"	"UVHNFZKPTQUPLV-UHFFFAOYSA-N"	"?"
"1216"	"3414-47-9"			"FC(F)(F)C1C=C(C=CC=1)OCC1CNC(=S)O1"	"InChI=1S/C11H10F3NO2S/c12-11(13,14)7-2-1-3-8(4-7)16-6-9-5-15-10(18)17-9/h1-4,9H,5-6H2,(H,15,18)"	"AIFMZFWIIGAWMP-UHFFFAOYSA-N"	"?"
"1217"	"86-16-8"	"4-(2,5-Diethoxy-4-nitrophenyl)morpholine"	"DTXSID0044737"	"CCOC1=CC(=C(C=C1N1CCOCC1)OCC)[N+]([O-])=O"	"InChI=1S/C14H20N2O5/c1-3-20-13-10-12(16(17)18)14(21-4-2)9-11(13)15-5-7-19-8-6-15/h9-10H,3-8H2,1-2H3"	"KNHGNICBXADRMC-UHFFFAOYSA-N"	"?"
"1218"	"1137-42-4"	"4-Hydroxybenzophenone"	"DTXSID5036684"	"OC1C=CC(=CC=1)C(=O)C1C=CC=CC=1"	"InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H"	"NPFYZDNDJHZQKY-UHFFFAOYSA-N"	"?"
"1219"	"99-93-4"	"4-Hydroxyacetophenone"	"DTXSID0029133"	"CC(=O)C1C=CC(O)=CC=1"	"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3"	"TXFPEBPIARQUIG-UHFFFAOYSA-N"	"?"
"1220"	"13936-01-1"	"1H-INDENE-1,3(2H)-DIONE, 2-[3,5-BIS(1,1-DIMETHYL"	"DTXSID50878630"	"CC(C)(C)C1C=C(C=C(C=1)C(C)(C)C)C1C(=O)C2C=CC=CC=2C1=O"	"InChI=1S/C23H26O2/c1-22(2,3)15-11-14(12-16(13-15)23(4,5)6)19-20(24)17-9-7-8-10-18(17)21(19)25/h7-13,19H,1-6H3"	"ITVMYFGQCMFWIN-UHFFFAOYSA-N"	"?"
"1221"	"3214-47-9"	"C.I. Direct Yellow 50, tetrasodium salt"	"DTXSID0041729"	"CC1=CC(=CC=C1N=NC1=CC2C(=CC=CC=2S(O)(=O)=O)C(=C1)S(O)(=O)=O)NC(=O)NC1C=C(C)C(=CC=1)N=NC1=CC(=C2C=CC=C(C2=C1)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C35H28N6O13S4/c1-19-13-21(9-11-29(19)40-38-23-15-27-25(33(17-23)57(49,50)51)5-3-7-31(27)55(43,44)45)36-35(42)37-22-10-12-30(20(2)14-22)41-39-24-16-28-26(34(18-24)58(52,53)54)6-4-8-32(28)56(46,47)48/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)"	"XFUDRSZJCBDNPN-UHFFFAOYSA-N"	"[Na+].[Na+].[Na+]"
"1222"	"299-84-3"	"Fenchlorphos"	"DTXSID2034885"	"COP(=S)(OC1=CC(Cl)=C(Cl)C=C1Cl)OC"	"InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3"	"JHJOOSLFWRRSGU-UHFFFAOYSA-N"	"?"
"1223"	"64204-55-3"	"Esaprazole"	"DTXSID0046147"	"O=C(CN1CCNCC1)NC1CCCCC1"	"InChI=1S/C12H23N3O/c16-12(10-15-8-6-13-7-9-15)14-11-4-2-1-3-5-11/h11,13H,1-10H2,(H,14,16)"	"RTFADALJKSFJDZ-UHFFFAOYSA-N"	"?"
"1224"	"26750-50-5"	"Bis(vinylsulphonylmethyl) ether"	"DTXSID0051942"	"C=CS(=O)(=O)COCS(=O)(=O)C=C"	"InChI=1S/C6H10O5S2/c1-3-12(7,8)5-11-6-13(9,10)4-2/h3-4H,1-2,5-6H2"	"KAMCBFNNGGVPPW-UHFFFAOYSA-N"	"?"
"1225"	"544-62-7"	"3-(Octadecyloxy)-1,2-propanediol"	"DTXSID0047799"	"CCCCCCCCCCCCCCCCCCOCC(O)CO"	"InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3"	"OGBUMNBNEWYMNJ-UHFFFAOYSA-N"	"?"
"1226"	"33235-85-7"			"CCOC(C1C(Cl)=CC=CC=1Cl)C1NCCCN=1"	"InChI=1S/C13H16Cl2N2O/c1-2-18-12(13-16-7-4-8-17-13)11-9(14)5-3-6-10(11)15/h3,5-6,12H,2,4,7-8H2,1H3,(H,16,17)"	"YNBCYQOZRYKLMD-UHFFFAOYSA-N"	"?"
"1227"	"24579-73-5"	"Propamocarb"	"DTXSID1040295"	"CCCOC(=O)NCCCN(C)C"	"InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)"	"WZZLDXDUQPOXNW-UHFFFAOYSA-N"	"?"
"1228"	"78-43-3"	"Tris(2,3-dichloropropyl)phosphate"	"DTXSID7023805"	"O=P(OCC(Cl)CCl)(OCC(Cl)CCl)OCC(Cl)CCl"	"InChI=1S/C9H15Cl6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2"	"JZZBTMVTLBHJHL-UHFFFAOYSA-N"	"?"
"1229"	"3087-16-9"	"Acid green 50"	"DTXSID4046577"	"CN(C)C1C=CC(=CC=1)C(C1C2=CC=C(C=C2C=C(C=1O)S(O)(=O)=O)S(O)(=O)=O)=C1C=CC(C=C1)=[N+](C)C"	"InChI=1S/C27H26N2O7S2/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36/h5-16H,1-4H3,(H2,31,32,33,34,35,36)/p+1"	"QEFJYMFUMVHTBR-UHFFFAOYSA-O"	"[Na+]"
"1230"	"67704-50-1"			"CC(C)(CO)NCC(O)C1C=CC=CC=1"	"InChI=1S/C12H19NO2/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10/h3-7,11,13-15H,8-9H2,1-2H3"	"PVOOBRUZWPQOER-UHFFFAOYSA-N"	"Cl"
"1231"	"1118-12-3"	"(1,1-Dimethylethyl)urea"	"DTXSID0044365"	"CC(C)(C)NC(N)=O"	"InChI=1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)"	"JLEHSYHLHLHPAL-UHFFFAOYSA-N"	"?"
"1232"	"73698-60-9"	"6-Benzofuranbutyric acid, 2,3-dimethyl-7-methoxy-gamma-oxo-, sodium salt"	"DTXSID80223997"	"COC1=C(C=CC2=C1OC(C)=C2C)C(=O)CCC(O)=O"	"InChI=1S/C15H16O5/c1-8-9(2)20-15-10(8)4-5-11(14(15)19-3)12(16)6-7-13(17)18/h4-5H,6-7H2,1-3H3,(H,17,18)"	"OCYZTCBEFKJCOA-UHFFFAOYSA-N"	"[Na+]"
"1233"	"303-34-4"	"Lasiocarpine"	"DTXSID1020772"	"CC(C)(O)C(O)(C(C)OC)C(=O)OCC1=CCN2CCC(OC(=O)C(C)=CC)C21"	"InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3"	"QHOZSLCIKHUPSU-UHFFFAOYSA-N"	"?"
"1234"	"60706-48-1"			"CN1CCCC(C1)N1C2=CC=C(C=C2SC2C=CC=CC1=2)OC"	"InChI=1S/C19H22N2OS/c1-20-11-5-6-14(13-20)21-16-7-3-4-8-18(16)23-19-12-15(22-2)9-10-17(19)21/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3"	"LUEVNSVASOZCPK-UHFFFAOYSA-N"	"?"
"1235"	"17420-30-3"	"2-Amino-5-nitrobenzonitrile"	"DTXSID0038839"	"NC1C=CC(=CC=1C#N)[N+]([O-])=O"	"InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2"	"MGCGMYPNXAFGFA-UHFFFAOYSA-N"	"?"
"1236"	"14293-44-8"	"Xipamide"	"DTXSID5023744"	"CC1C=CC=C(C)C=1NC(=O)C1=CC(=C(Cl)C=C1O)S(N)(=O)=O"	"InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)"	"MTZBBNMLMNBNJL-UHFFFAOYSA-N"	"?"
"1237"	"151-41-7"	"Lauryl sulfate"	"DTXSID0042088"	"CCCCCCCCCCCCOS(O)(=O)=O"	"InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)"	"MOTZDAYCYVMXPC-UHFFFAOYSA-N"	"?"
"1238"	"51356-20-8"	"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone"	"DTXSID00199367"	"CC1=CC(=O)N(CSP(=S)(OC)OC)N=C1Cl"	"InChI=1S/C8H12ClN2O3PS2/c1-6-4-7(12)11(10-8(6)9)5-17-15(16,13-2)14-3/h4H,5H2,1-3H3"	"JYNAMLAHBYFIIR-UHFFFAOYSA-N"	"?"
"1239"	"104-61-0"	"gamma-Nonanolactone"	"DTXSID0034229"	"CCCCCC1CCC(=O)O1"	"InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3"	"OALYTRUKMRCXNH-UHFFFAOYSA-N"	"?"
"1240"	"1122-58-3"	"N,N-dimethylpyridin-4-amine"	"DTXSID0044369"	"CN(C)C1C=CN=CC=1"	"InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3"	"VHYFNPMBLIVWCW-UHFFFAOYSA-N"	"?"
"1241"	"100789-69-3"			"CCC(C)C1C=CC(=CC=1)OC(=O)NC"	"InChI=1S/C12H17NO2/c1-4-9(2)10-5-7-11(8-6-10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)"	"SAHIEIKAICLWTR-UHFFFAOYSA-N"	"?"
"1242"	"53902-12-8"	"Tranilast"	"DTXSID7023693"	"COC1=CC(C=CC(=O)NC2C=CC=CC=2C(O)=O)=CC=C1OC"	"InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)"	"NZHGWWWHIYHZNX-UHFFFAOYSA-N"	"?"
"1243"	"79-36-7"	"Dichloroacetyl chloride"	"DTXSID6024965"	"O=C(Cl)C(Cl)Cl"	"InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H"	"FBCCMZVIWNDFMO-UHFFFAOYSA-N"	"?"
"1244"	"63992-41-6"	"2-Biphenylol, 6-chloro-, sodium salt"	"DTXSID10213962"	"OC1C=CC=C(Cl)C=1C1C=CC=CC=1"	"InChI=1S/C12H9ClO/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8,14H"	"KPFPEXKMIDAQNO-UHFFFAOYSA-N"	"[Na+]"
"1245"	"534-85-0"	"1,2-Benzenediamine,N-phenyl-"	"DTXSID0049315"	"NC1=CC=CC=C1NC1C=CC=CC=1"	"InChI=1S/C12H12N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,13H2"	"NFCPRRWCTNLGSN-UHFFFAOYSA-N"	"?"
"1246"	"73926-94-0"			"OS(=O)(=O)C1C=C(Cl)C=CC=1C=CC1C=CC(=CC=1S(O)(=O)=O)N1N=C2C=CC3C(=CC=CC=3S(O)(=O)=O)C2=N1"	"InChI=1S/C24H16ClN3O9S3/c25-16-8-6-14(22(12-16)39(32,33)34)4-5-15-7-9-17(13-23(15)40(35,36)37)28-26-20-11-10-18-19(24(20)27-28)2-1-3-21(18)38(29,30)31/h1-13H,(H,29,30,31)(H,32,33,34)(H,35,36,37)"	"AMMVQETUPXPHPE-UHFFFAOYSA-N"	"[Na+].[Na+].[Na+]"
"1247"	"103-18-4"	"Phenol, 4-[(4-aminophenyl)azo]-"	"DTXSID7059270"	"NC1C=CC(=CC=1)N=NC1C=CC(O)=CC=1"	"InChI=1S/C12H11N3O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H,13H2"	"NCKPQOUTAMSEAO-UHFFFAOYSA-N"	"?"
"1248"	"41098-56-0"	"1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt"	"DTXSID3041249"	"CCN(CC)C1=NC(NC2C=C(C=CC=2S(O)(=O)=O)S(O)(=O)=O)=NC(NC2C=C(C(C=CC3=CC=C(C=C3S(O)(=O)=O)NC3N=C(NC4=CC(=CC=C4S(O)(=O)=O)S(O)(=O)=O)N=C(N=3)N(CC)CC)=CC=2)S(O)(=O)=O)=N1"	"InChI=1S/C40H44N12O18S6/c1-5-51(6-2)39-47-35(45-37(49-39)43-29-21-27(71(53,54)55)15-17-31(29)73(59,60)61)41-25-13-11-23(33(19-25)75(65,66)67)9-10-24-12-14-26(20-34(24)76(68,69)70)42-36-46-38(50-40(48-36)52(7-3)8-4)44-30-22-28(72(56,57)58)16-18-32(30)74(62,63)64/h9-22H,5-8H2,1-4H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,41,43,45,47,49)(H2,42,44,46,48,50)"	"HVAQQSVRRRNRFN-UHFFFAOYSA-N"	"[Na+].[Na+].[Na+].[Na+]"
"1249"	"64028-99-5"	"N-(N-ME-ETHOXYCARBAMYLTHIO)METHOMYL"	"DTXSID30879620"	"CC(=NOC(=O)N(C)SN(C)C(=O)OCC)SC"	"InChI=1S/C9H17N3O4S2/c1-6-15-8(13)11(3)18-12(4)9(14)16-10-7(2)17-5/h6H2,1-5H3"	"VEHYYCRDMUUZEQ-UHFFFAOYSA-N"	"?"
"1250"	"1091-11-8"	"4-Morpholineacetic acid, (5-nitrofurfurylidene)hydrazide"	"DTXSID80148813"	"[O-][N+](=O)C1=CC=C(C=NNC(=O)CN2CCOCC2)O1"	"InChI=1S/C11H14N4O5/c16-10(8-14-3-5-19-6-4-14)13-12-7-9-1-2-11(20-9)15(17)18/h1-2,7H,3-6,8H2,(H,13,16)"	"VMDOZZHWILGPKU-UHFFFAOYSA-N"	"?"
"1251"	"120-54-7"	"Tetrasulfane-1,4-diylbis(piperidin-1-ylmethanethione)"	"DTXSID0044789"	"S=C(SSSSC(=S)N1CCCCC1)N1CCCCC1"	"InChI=1S/C12H20N2S6/c15-11(13-7-3-1-4-8-13)17-19-20-18-12(16)14-9-5-2-6-10-14/h1-10H2"	"VNDRMZTXEFFQDR-UHFFFAOYSA-N"	"?"
"1252"	"96-48-0"	"4-Butyrolactone"	"DTXSID6020224"	"O=C1CCCO1"	"InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2"	"YEJRWHAVMIAJKC-UHFFFAOYSA-N"	"?"
"1253"	"5102-83-0"	"C.I. Pigment Yellow 13"	"DTXSID0029268"	"CC(=O)C(N=NC1C=CC(=CC=1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC(C)=CC=1C)C(C)=O)C(=O)NC1C=CC(C)=CC=1C"	"InChI=1S/C36H34Cl2N6O4/c1-19-7-11-29(21(3)15-19)39-35(47)33(23(5)45)43-41-31-13-9-25(17-27(31)37)26-10-14-32(28(38)18-26)42-44-34(24(6)46)36(48)40-30-12-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)"	"IAFBRPFISOTXSO-UHFFFAOYSA-N"	"?"
"1254"	"57665-49-3"			"CCN(CCN(CCN(CC)CC)N1C=C(C2=CC(Cl)=CC=C12)C1C=CC(Cl)=CC=1)CC"	"InChI=1S/C26H36Cl2N4/c1-5-29(6-2)15-17-31(18-16-30(7-3)8-4)32-20-25(21-9-11-22(27)12-10-21)24-19-23(28)13-14-26(24)32/h9-14,19-20H,5-8,15-18H2,1-4H3"	"OIVDXYHFGJNOSP-UHFFFAOYSA-N"	"[Cl-].[Cl-]"
"1255"	"107-49-3"	"Tetraethyl pyrophosphate"	"DTXSID3034957"	"CCOP(=O)(OP(=O)(OCC)OCC)OCC"	"InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3"	"IDCBOTIENDVCBQ-UHFFFAOYSA-N"	"?"
"1256"	"141-01-5"	"Ferrous fumarate"	"DTXSID7047148"	"OC(=O)C=CC(O)=O"	"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)"	"VZCYOOQTPOCHFL-UHFFFAOYSA-N"	"[Fe+2]"
"1257"	"142-30-3"	"2,5-Dimethyl-3-hexyne-2,5-diol"	"DTXSID2027096"	"CC(C)(O)C#CC(C)(C)O"	"InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3"	"IHJUECRFYCQBMW-UHFFFAOYSA-N"	"?"
"1258"	"1489-69-6"	"Cyclopropanecarboxaldehyde"	"DTXSID0051736"	"O=CC1CC1"	"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2"	"JMYVMOUINOAAPA-UHFFFAOYSA-N"	"?"
"1259"	"25841-37-6"			"CS(=O)C(C)(C)CO"	"InChI=1S/C5H12O2S/c1-5(2,4-6)8(3)7/h6H,4H2,1-3H3"	"WMQJISWTXNKOBA-UHFFFAOYSA-N"	"?"
"1260"	"3270-86-8"	"Phosphorothioic acid, O,O-diethyl S-(p-nitrophenyl) ester"	"DTXSID80186371"	"CCOP(=O)(OCC)SC1C=CC(=CC=1)[N+]([O-])=O"	"InChI=1S/C10H14NO5PS/c1-3-15-17(14,16-4-2)18-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3"	"DSVCXDBXXBVSEB-UHFFFAOYSA-N"	"?"
"1261"	"95823-36-2"	"Carboxylic acids, C6-8-neo-"	"DTXSID0029844"	"CC(C)(C)CCC(O)=O"	"InChI=1S/C7H14O2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)"	"HMMSZUQCCUWXRA-UHFFFAOYSA-N"	"?"
"1262"	"17351-75-6"	"1,4-Bis[(ethenyloxy)methyl]cyclohexane"	"DTXSID0044604"	"C=COCC1CCC(COC=C)CC1"	"InChI=1S/C12H20O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2"	"DQNSRQYYCSXZDF-UHFFFAOYSA-N"	"?"
"1263"	"1863-63-4"	"Ammonium benzoate"	"DTXSID4041602"	"OC(=O)C1C=CC=CC=1"	"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)"	"WPYMKLBDIGXBTP-UHFFFAOYSA-N"	"[NH4+]"
"1264"	"19766-89-3"	"Sodium 2-ethylhexanoate"	"DTXSID0044866"	"CCCCC(CC)C(O)=O"	"InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)"	"OBETXYAYXDNJHR-UHFFFAOYSA-N"	"[Na+]"
"1265"	"112-03-8"	"N,N,N-Trimethyloctadecan-1-aminium chloride"	"DTXSID1026902"	"CCCCCCCCCCCCCCCCCC[N+](C)(C)C"	"InChI=1S/C21H46N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-21H2,1-4H3/q+1"	"PDSVZUAJOIQXRK-UHFFFAOYSA-N"	"[Cl-]"
"1266"	"3004-71-5"	"6-Chloro-N-methyl-N'-isopropyl-1,3,5-triazine-2,4-diamine"	"DTXSID9062774"	"CNC1N=C(NC(C)C)N=C(Cl)N=1"	"InChI=1S/C7H12ClN5/c1-4(2)10-7-12-5(8)11-6(9-3)13-7/h4H,1-3H3,(H2,9,10,11,12,13)"	"KLJYRZOFJHYOCO-UHFFFAOYSA-N"	"?"
"1267"	"1470-94-6"	"Indan-5-ol"	"DTXSID0051732"	"OC1=CC2CCCC=2C=C1"	"InChI=1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2"	"PEHSSTUGJUBZBI-UHFFFAOYSA-N"	"?"
"1268"	"107-87-9"	"2-Pentanone"	"DTXSID0021888"	"CCCC(C)=O"	"InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3"	"XNLICIUVMPYHGG-UHFFFAOYSA-N"	"?"
"1269"	"2669-32-1"	"Lythidathion"	"DTXSID6042101"	"CCOC1=NN(CSP(=S)(OC)OC)C(=O)S1"	"InChI=1S/C7H13N2O4PS3/c1-4-13-6-8-9(7(10)17-6)5-16-14(15,11-2)12-3/h4-5H2,1-3H3"	"FPMIAGPUNXEUCZ-UHFFFAOYSA-N"	"?"
"1270"	"2051-78-7"	"Allyl butyrate"	"DTXSID0047666"	"CCCC(=O)OCC=C"	"InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3"	"RMZIOVJHUJAAEY-UHFFFAOYSA-N"	"?"
"1271"	"111470-99-6"	"Amlodipine besylate"	"DTXSID2043909"	"CC1NC(COCCN)=C(C(C=1C(=O)OC)C1=CC=CC=C1Cl)C(=O)OCC"	"InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3"	"HTIQEAQVCYTUBX-UHFFFAOYSA-N"	"S(=O)(=O)(C1=CC=CC=C1)O"
"1272"	"3248-93-9"	"C.I. Basic Violet 14- free base (parent)"	"DTXSID0043844"	"CC1=CC(=CC=C1N)C(C1C=CC(N)=CC=1)=C1C=CC(=N)C=C1"	"InChI=1S/C20H19N3/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15/h2-12,21H,22-23H2,1H3"	"WVYMEHMNEMRCEL-UHFFFAOYSA-N"	"?"
"1273"	"41890-92-0"	"7-Methoxy-3,7-dimethyloctan-2-ol"	"DTXSID5052090"	"CC(CCCC(C)(C)OC)C(C)O"	"InChI=1S/C11H24O2/c1-9(10(2)12)7-6-8-11(3,4)13-5/h9-10,12H,6-8H2,1-5H3"	"ZJVRYPHKSDHLTC-UHFFFAOYSA-N"	"?"
"1274"	"4337-75-1"	"Sodium N-lauroyl-N-methyltaurate"	"DTXSID0042408"	"CCCCCCCCCCCC(=O)N(C)CCS(O)(=O)=O"	"InChI=1S/C15H31NO4S/c1-3-4-5-6-7-8-9-10-11-12-15(17)16(2)13-14-21(18,19)20/h3-14H2,1-2H3,(H,18,19,20)"	"DABQDIXIAXPQFG-UHFFFAOYSA-N"	"[Na+]"
"1275"	"1696-17-9"	"N,N-Diethylbenzamide"	"DTXSID0051784"	"CCN(CC)C(=O)C1C=CC=CC=1"	"InChI=1S/C11H15NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3"	"JLNGEXDJAQASHD-UHFFFAOYSA-N"	"?"
"1276"	"5870-93-9"	"Heptyl butanoate"	"DTXSID0042038"	"CCCCCCCOC(=O)CCC"	"InChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3"	"JPQHLIYIQARLQM-UHFFFAOYSA-N"	"?"
"1277"	"19376-15-9"			"CC(OC(C)=O)C(Cl)(Cl)Cl"	"InChI=1S/C5H7Cl3O2/c1-3(5(6,7)8)10-4(2)9/h3H,1-2H3"	"YFLDUTFKTAURAE-UHFFFAOYSA-N"	"?"
"1278"	"1763-23-1"	"PFOS"	"DTXSID3031864"	"OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)"	"YFSUTJLHUFNCNZ-UHFFFAOYSA-N"	"?"
"1279"	"145026-88-6"	"Flucarbazone"	"DTXSID0043979"	"CN1C(=NN(C1=O)C(=O)NS(=O)(=O)C1C=CC=CC=1OC(F)(F)F)OC"	"InChI=1S/C12H11F3N4O6S/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15/h3-6H,1-2H3,(H,17,20)"	"GINFBXXYGUODAT-UHFFFAOYSA-N"	"?"
"1280"	"104-45-0"	"4-Propylanisole"	"DTXSID0042325"	"CCCC1=CC=C(C=C1)OC"	"InChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3"	"KBHWKXNXTURZCD-UHFFFAOYSA-N"	"?"
"1281"	"12627-38-2"	"Triton X-301"	"DTXSID10155131"	"CC(C)(C)CC(C)(C)C1C=CC(=CC=1)OCCOS(O)(=O)=O"	"InChI=1S/C16H26O5S/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)20-10-11-21-22(17,18)19/h6-9H,10-12H2,1-5H3,(H,17,18,19)"	"PQOBBMHTPLNVQU-UHFFFAOYSA-N"	"[Na+]"
"1282"	"3414-89-9"	"9,12-Octadecadienoic acid (9Z,12Z)-, potassium salt"	"DTXSID0041561"	"CCCCCC=CCC=CCCCCCCCC(O)=O"	"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)"	"OYHQOLUKZRVURQ-UHFFFAOYSA-N"	"[K+]"
"1283"	"1331-29-9"			"ClC(Cl)CC1C=CC=CC=1"	"InChI=1S/C8H8Cl2/c9-8(10)6-7-4-2-1-3-5-7/h1-5,8H,6H2"	"NGQTUWCDHLILAX-UHFFFAOYSA-N"	"?"
"1284"	"126-61-4"	"Phosphonic acid, 1-(hydroxyvinyl)-, dimethyl ester, diethyl phosphate"	"DTXSID60155040"	"COP(=O)(OC)C(=C)OP(=O)(OCC)OCC"	"InChI=1S/C8H18O7P2/c1-6-13-17(10,14-7-2)15-8(3)16(9,11-4)12-5/h3,6-7H2,1-2,4-5H3"	"FJJRBYAELMSSPD-UHFFFAOYSA-N"	"?"
"1285"	"2675-94-7"	"N,N-Diethylacrylamide"	"DTXSID10181258"	"CCN(CC)C(=O)C=C"	"InChI=1S/C7H13NO/c1-4-7(9)8(5-2)6-3/h4H,1,5-6H2,2-3H3"	"OVHHHVAVHBHXAK-UHFFFAOYSA-N"	"?"
"1286"	"1072-83-9"	"2-Acetylpyrrole"	"DTXSID0047084"	"CC(=O)C1=CC=CN1"	"InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3"	"IGJQUJNPMOYEJY-UHFFFAOYSA-N"	"?"
"1287"	"4126-70-9"			"NCCOC(=O)C=CC(=O)OCCN"	"InChI=1S/C8H14N2O4/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h1-2H,3-6,9-10H2"	"LSAKCJLZJXGUKM-UHFFFAOYSA-N"	"[Cl-].[Cl-]"
"1288"	"27471-60-9"	"Fenoxedil hydrochloride"	"DTXSID30181896"	"CCCCOC1C=CC(=CC=1)OCC(=O)N(CCN(CC)CC)C1C=C(C=CC=1OCC)OCC"	"InChI=1S/C28H42N2O5/c1-6-11-20-34-23-12-14-24(15-13-23)35-22-28(31)30(19-18-29(7-2)8-3)26-21-25(32-9-4)16-17-27(26)33-10-5/h12-17,21H,6-11,18-20,22H2,1-5H3"	"OBQUKWIVMOIRGG-UHFFFAOYSA-N"	"Cl"
"1289"	"59631-26-4"	"Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) O,O-dipropyl ester"	"DTXSID80208300"	"COC1C(=O)N(C)N=CC=1OP(=S)(OCCC)OCCC"	"InChI=1S/C12H21N2O5PS/c1-5-7-17-20(21,18-8-6-2)19-10-9-13-14(3)12(15)11(10)16-4/h9H,5-8H2,1-4H3"	"GQLCFIDCYUDUIV-UHFFFAOYSA-N"	"?"
"1290"	"26964-71-6"	"Fenaperone hydrochloride"	"DTXSID80181462"	"O=C(CCCN1CCN(CC1)C(=O)OC1CCCCC1)C1C=CC(F)=CC=1"	"InChI=1S/C21H29FN2O3/c22-18-10-8-17(9-11-18)20(25)7-4-12-23-13-15-24(16-14-23)21(26)27-19-5-2-1-3-6-19/h8-11,19H,1-7,12-16H2"	"OCHNIEZVJROLLV-UHFFFAOYSA-N"	"Cl"
"1291"	"814-91-5"	"Copper(II) oxalate"	"DTXSID0041802"	"OC(=O)C(O)=O"	"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)"	"MUBZPKHOEPUJKR-UHFFFAOYSA-N"	"[Cu+2]"
"1292"	"1112-39-6"	"Dimethoxydimethylsilane"	"DTXSID0042379"	"C[Si](C)(OC)OC"	"InChI=1S/C4H12O2Si/c1-5-7(3,4)6-2/h1-4H3"	"JJQZDUKDJDQPMQ-UHFFFAOYSA-N"	"?"
"1293"	"501-68-8"	"Beclamide"	"DTXSID5057755"	"O=C(CCCl)NCC1C=CC=CC=1"	"InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)"	"JPYQFYIEOUVJDU-UHFFFAOYSA-N"	"?"
"1294"	"121776-57-6"	"Oxazolidine, 3-(dichloroacetyl)-5-(2-furanyl)-2,2-dimethyl-, (5R)-"	"DTXSID0042246"	"CC1(C)OC(CN1C(=O)C(Cl)Cl)C1=CC=CO1"	"InChI=1S/C11H13Cl2NO3/c1-11(2)14(10(15)9(12)13)6-8(17-11)7-4-3-5-16-7/h3-5,8-9H,6H2,1-2H3"	"MCNOFYBITGAAGM-UHFFFAOYSA-N"	"?"
"1295"	"3737-22-2"	"3,5-Pyridinedicarboxylic acid, diisopropyl ester"	"DTXSID40190813"	"CC(C)OC(=O)C1C=NC=C(C=1)C(=O)OC(C)C"	"InChI=1S/C13H17NO4/c1-8(2)17-12(15)10-5-11(7-14-6-10)13(16)18-9(3)4/h5-9H,1-4H3"	"JHKOMVRNWGLUFA-UHFFFAOYSA-N"	"?"
"1296"	"786-19-6"	"Carbophenothion"	"DTXSID7022120"	"CCOP(=S)(OCC)SCSC1C=CC(Cl)=CC=1"	"InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3"	"VEDTXTNSFWUXGQ-UHFFFAOYSA-N"	"?"
"1297"	"1071-22-3"	"3-(Trichlorosilyl)propanenitrile"	"DTXSID0042329"	"N#CCC[Si](Cl)(Cl)Cl"	"InChI=1S/C3H4Cl3NSi/c4-8(5,6)3-1-2-7/h1,3H2"	"OLBGECWYBGXCNV-UHFFFAOYSA-N"	"?"
"1298"	"36014-99-0"	"4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)-"	"DTXSID60189582"	"OS(=O)(=O)C1=C2N=C(NC2=C(Cl)C(Cl)=C1Cl)C(F)(F)F"	"InChI=1S/C8H2Cl3F3N2O3S/c9-1-2(10)4-5(6(3(1)11)20(17,18)19)16-7(15-4)8(12,13)14/h(H,15,16)(H,17,18,19)"	"FWQRRDSRAJTOGV-UHFFFAOYSA-N"	"?"
"1299"	"143-16-8"	"Dihexylamine"	"DTXSID1022009"	"CCCCCCNCCCCCC"	"InChI=1S/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3"	"PXSXRABJBXYMFT-UHFFFAOYSA-N"	"?"
"1300"	"122-56-5"	"Borane, tributyl-"	"DTXSID9059543"	"CCCCB(CCCC)CCCC"	"InChI=1S/C12H27B/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3"	"CMHHITPYCHHOGT-UHFFFAOYSA-N"	"?"
"1301"	"4799-59-1"	"O,O-DIET-O-(3-ME-4-SMEPH)P=O"	"DTXSID80876982"	"CC1=CC(=CC=C1SC)OP(=O)(OCC)OCC"	"InChI=1S/C12H19O4PS/c1-5-14-17(13,15-6-2)16-11-7-8-12(18-4)10(3)9-11/h7-9H,5-6H2,1-4H3"	"UAOUVRJFXPPTHR-UHFFFAOYSA-N"	"?"
"1302"	"30776-59-1"	"Tetradecylbenzenesulfonic acid"	"DTXSID0042458"	"CCCCCCCCCCCC(CC)C1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C20H34O3S/c1-3-5-6-7-8-9-10-11-12-13-18(4-2)19-14-16-20(17-15-19)24(21,22)23/h14-18H,3-13H2,1-2H3,(H,21,22,23)"	"JWRVRWIPVKBTBL-UHFFFAOYSA-N"	"?"
"1303"	"16219-98-0"	"2-Nitrosomethylaminopyridine"	"DTXSID4021050"	"CN(N=O)C1C=CC=CN=1"	"InChI=1S/C6H7N3O/c1-9(8-10)6-4-2-3-5-7-6/h2-5H,1H3"	"WJDNMDMNPIKDCP-UHFFFAOYSA-N"	"?"
"1304"	"27318-86-1"	"Floverine [INN:DCF]"	"DTXSID00181762"	"COC1C=C(C=C(C=1)OC)OCCO"	"InChI=1S/C10H14O4/c1-12-8-5-9(13-2)7-10(6-8)14-4-3-11/h5-7,11H,3-4H2,1-2H3"	"WWCVTBASZDLZAC-UHFFFAOYSA-N"	"?"
"1305"	"27016-91-7"	"D 58SI"	"DTXSID50181499"	"CNC(=O)N1C2C=CC(=CC=2C(=NCC1=O)C1C=CC=CC=1)[N+]([O-])=O"	"InChI=1S/C17H14N4O4/c1-18-17(23)20-14-8-7-12(21(24)25)9-13(14)16(19-10-15(20)22)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,23)"	"PDLWQTVMGHECQL-UHFFFAOYSA-N"	"?"
"1306"	"78491-02-8"	"Diazolidinyl urea"	"DTXSID0029559"	"OCNC(=O)N(CO)C1C(=O)N(CO)C(=O)N1CO"	"InChI=1S/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18)"	"SOROIESOUPGGFO-UHFFFAOYSA-N"	"?"
"1307"	"80834-65-7"	"2(1H)-Quinolinone, 3,4-dihydro-6-(3-(4-phenyl-1-piperazinyl)propyl)-"	"DTXSID70230655"	"O=C1CCC2C=C(CCCN3CCN(CC3)C3C=CC=CC=3)C=CC=2N1"	"InChI=1S/C22H27N3O/c26-22-11-9-19-17-18(8-10-21(19)23-22)5-4-12-24-13-15-25(16-14-24)20-6-2-1-3-7-20/h1-3,6-8,10,17H,4-5,9,11-16H2,(H,23,26)"	"FJQXKTZSIVUNRD-UHFFFAOYSA-N"	"?"
"1308"	"89427-08-7"	"Benzimidazole-4-carbonitrile, 6-chloro-2-(trifluoromethyl)-"	"DTXSID80237670"	"N#CC1C=C(Cl)C=C2NC(=NC=12)C(F)(F)F"	"InChI=1S/C9H3ClF3N3/c10-5-1-4(3-14)7-6(2-5)15-8(16-7)9(11,12)13/h1-2H,(H,15,16)"	"DUUONMUYQRZUOH-UHFFFAOYSA-N"	"?"
"1309"	"67704-68-1"	"Metazine"	"DTXSID90217988"	"CN(C#N)C1N=C(NC(C)C)N=C(NC(C)C)N=1"	"InChI=1S/C11H19N7/c1-7(2)13-9-15-10(14-8(3)4)17-11(16-9)18(5)6-12/h7-8H,1-5H3,(H2,13,14,15,16,17)"	"XMLHQGBTKIZHSK-UHFFFAOYSA-N"	"?"
"1310"	"3699-54-5"	"1-(2-Hydroxyethyl)-2-imidazolidinone"	"DTXSID0029260"	"OCCN1CCNC1=O"	"InChI=1S/C5H10N2O2/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9)"	"HBAIZGPCSAAFSU-UHFFFAOYSA-N"	"?"
"1311"	"163165-91-1"			"CC1(C)COC(=N1)C1C=CC=CC1=O"	"InChI=1S/C11H13NO2/c1-11(2)7-14-10(12-11)8-5-3-4-6-9(8)13/h3-6,8H,7H2,1-2H3"	"DXMFOILGULTISU-UHFFFAOYSA-N"	"?"
"1312"	"76-58-4"	"Ethylmorphine"	"DTXSID1046760"	"CCOC1C=CC2CC3C4C=CC(O)C5OC=1C=2C45CCN3C"	"InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3"	"OGDVEMNWJVYAJL-UHFFFAOYSA-N"	"?"
"1313"	"2223-82-7"	"2,2-Dimethyl-1,3-propanediyl diacrylate"	"DTXSID0051869"	"CC(C)(COC(=O)C=C)COC(=O)C=C"	"InChI=1S/C11H16O4/c1-5-9(12)14-7-11(3,4)8-15-10(13)6-2/h5-6H,1-2,7-8H2,3-4H3"	"MXFQRSUWYYSPOC-UHFFFAOYSA-N"	"?"
"1314"	"24994-52-3"	"Benzimidazol-6-ol, 5-chloro-2-(trifluoromethyl)-"	"DTXSID80179703"	"OC1=CC2N=C(NC=2C=C1Cl)C(F)(F)F"	"InChI=1S/C8H4ClF3N2O/c9-3-1-4-5(2-6(3)15)14-7(13-4)8(10,11)12/h1-2,15H,(H,13,14)"	"WVFCYJMVRGLCPI-UHFFFAOYSA-N"	"?"
"1315"	"38700-88-8"	"Benzene, 1-chloro-3-(phenylthio)-"	"DTXSID2068133"	"ClC1C=C(C=CC=1)SC1C=CC=CC=1"	"InChI=1S/C12H9ClS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H"	"YNJLAXHIFOICPE-UHFFFAOYSA-N"	"?"
"1316"	"871-58-9"	"Potassium butylxanthate"	"DTXSID40236129"	"CCCCOC(S)=S"	"InChI=1S/C5H10OS2/c1-2-3-4-6-5(7)8/h2-4H2,1H3,(H,7,8)"	"TUZCOAQWCRRVIP-UHFFFAOYSA-N"	"[K+]"
"1317"	"85-98-3"	"N,N'-Diethylcarbanilide"	"DTXSID8025040"	"CCN(C(=O)N(CC)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3"	"PZIMIYVOZBTARW-UHFFFAOYSA-N"	"?"
"1318"	"141-86-6"	"2,6-Diaminopyridine"	"DTXSID0040127"	"NC1C=CC=C(N)N=1"	"InChI=1S/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-3H,(H4,6,7,8)"	"VHNQIURBCCNWDN-UHFFFAOYSA-N"	"?"
"1319"	"112-73-2"	"Diethylene glycol dibutyl ether"	"DTXSID8025046"	"CCCCOCCOCCOCCCC"	"InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3"	"KZVBBTZJMSWGTK-UHFFFAOYSA-N"	"?"
"1320"	"10107-99-0"	"1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2-(2-hydroxyethoxy)ethyl ester, (1R,4aR,4bR,10aR)-"	"DTXSID0041278"	"CC(C)C1CCC2C(C=1)=CCC1C(C)(CCCC21C)C(=O)OCCOCCO"	"InChI=1S/C24H38O4/c1-17(2)18-6-8-20-19(16-18)7-9-21-23(20,3)10-5-11-24(21,4)22(26)28-15-14-27-13-12-25/h7,16-17,20-21,25H,5-6,8-15H2,1-4H3"	"PXVVQEJCUSSVKQ-UHFFFAOYSA-N"	"?"
"1321"	"34643-09-9"			"CC1C=CC(OC2C=CC(CC)=CC=2Cl)=C(CC(O)=O)C=1"	"InChI=1S/C17H17ClO3/c1-3-12-5-7-16(14(18)9-12)21-15-6-4-11(2)8-13(15)10-17(19)20/h4-9H,3,10H2,1-2H3,(H,19,20)"	"DTOBTMTUCDAZIZ-UHFFFAOYSA-N"	"?"
"1322"	"125904-11-2"	"Benzene, ethenyl-, ar-bromo derivs."	"DTXSID6029094"	"C=CC1=CC(Br)=CC=C1Br"	"InChI=1S/C8H6Br2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2"	"KWVKCGGJLLNVSC-UHFFFAOYSA-N"	"?"
"1323"	"849-99-0"	"Dicyclohexyl adipate"	"DTXSID8061212"	"O=C(CCCCC(=O)OC1CCCCC1)OC1CCCCC1"	"InChI=1S/C18H30O4/c19-17(21-15-9-3-1-4-10-15)13-7-8-14-18(20)22-16-11-5-2-6-12-16/h15-16H,1-14H2"	"UTGUHFOMNVLJSL-UHFFFAOYSA-N"	"?"
"1324"	"58955-85-4"			"CC1OCN=C(S1)C1C=CC=CC=1"	"InChI=1S/C10H11NOS/c1-8-12-7-11-10(13-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3"	"MXBIMNXDAMOVRF-UHFFFAOYSA-N"	"?"
"1325"	"24549-06-2"	"2-Ethyl-6-methylaniline"	"DTXSID7027833"	"CC1C=CC=C(CC)C=1N"	"InChI=1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3"	"JJVKJJNCIILLRP-UHFFFAOYSA-N"	"?"
"1326"	"40716-42-5"	"9-Octadecenamide, 12-hydroxy-N,N-bis(2-hydroxyethyl)-, (9Z,12R)-"	"DTXSID0041565"	"CCCCCCC(O)CC=CCCCCCCCC(=O)N(CCO)CCO"	"InChI=1S/C22H43NO4/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22(27)23(17-19-24)18-20-25/h9,12,21,24-26H,2-8,10-11,13-20H2,1H3"	"PDVQCPFKYPYROG-UHFFFAOYSA-N"	"?"
"1327"	"117666-87-2"			"CCOC(=S)C=CC1C=CC2OCOC=2C=1"	"InChI=1S/C12H12O3S/c1-2-13-12(16)6-4-9-3-5-10-11(7-9)15-8-14-10/h3-7H,2,8H2,1H3"	"SQYGWABCYSWYMD-UHFFFAOYSA-N"	"?"
"1328"	"91-25-8"	"2-Formylbenzenesulfonic acid"	"DTXSID0046983"	"OS(=O)(=O)C1=CC=CC=C1C=O"	"InChI=1S/C7H6O4S/c8-5-6-3-1-2-4-7(6)12(9,10)11/h1-5H,(H,9,10,11)"	"SHHKMWMIKILKQW-UHFFFAOYSA-N"	"?"
"1329"	"3913-02-8"	"2-Butyloctan-1-ol"	"DTXSID0044818"	"CCCCC(CO)CCCCCC"	"InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3"	"XMVBHZBLHNOQON-UHFFFAOYSA-N"	"?"
"1330"	"2209-86-1"	"Loprodiol"	"DTXSID40176591"	"OCC(CCl)(CCl)CO"	"InChI=1S/C5H10Cl2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2"	"YFESJHPTNWYOCO-UHFFFAOYSA-N"	"?"
"1331"	"81994-68-5"	"Phthalimide, 4-butylamino-N-(2-(diethylamino)ethyl)-, hydrochloride"	"DTXSID20231495"	"CCCCNC1C=C2C(=CC=1)C(=O)N(CCN(CC)CC)C2=O"	"InChI=1S/C18H27N3O2/c1-4-7-10-19-14-8-9-15-16(13-14)18(23)21(17(15)22)12-11-20(5-2)6-3/h8-9,13,19H,4-7,10-12H2,1-3H3"	"SSESQBSCMXUBEG-UHFFFAOYSA-N"	"Cl"
"1332"	"52723-84-9"	"Acetamide, 2-(4-chloro-2-methylphenoxy)-N-phenyl-"	"DTXSID00200700"	"CC1C=C(Cl)C=CC=1OCC(=O)NC1C=CC=CC=1"	"InChI=1S/C15H14ClNO2/c1-11-9-12(16)7-8-14(11)19-10-15(18)17-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)"	"FDDJKDJSDPCMJE-UHFFFAOYSA-N"	"?"
"1333"	"332-69-4"			"CN(C)C(=O)CCNC1C=CC(Br)=CC=1"	"InChI=1S/C11H15BrN2O/c1-14(2)11(15)7-8-13-10-5-3-9(12)4-6-10/h3-6,13H,7-8H2,1-2H3"	"ICBQXEWYZVQCFH-UHFFFAOYSA-N"	"?"
"1334"	"375-01-9"	"1-Butanol, 2,2,3,3,4,4,4-heptafluoro-"	"DTXSID4059914"	"OCC(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2"	"WXJFKAZDSQLPBX-UHFFFAOYSA-N"	"?"
"1335"	"48145-04-6"	"2-Phenoxyethyl acrylate"	"DTXSID4040715"	"C=CC(=O)OCCOC1C=CC=CC=1"	"InChI=1S/C11H12O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10/h2-7H,1,8-9H2"	"RZVINYQDSSQUKO-UHFFFAOYSA-N"	"?"
"1336"	"556-61-6"	"Methyl isothiocyanate"	"DTXSID2027204"	"CN=C=S"	"InChI=1S/C2H3NS/c1-3-2-4/h1H3"	"LGDSHSYDSCRFAB-UHFFFAOYSA-N"	"?"
"1337"	"2508-19-2"	"TNBS"	"DTXSID0043715"	"[O-][N+](=O)C1=CC(=C(C(=C1)[N+]([O-])=O)S(O)(=O)=O)[N+]([O-])=O"	"InChI=1S/C6H3N3O9S/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h1-2H,(H,16,17,18)"	"NHJVRSWLHSJWIN-UHFFFAOYSA-N"	"?"
"1338"	"2206-94-2"	"1-Phenylethenyl acetate"	"DTXSID0051865"	"CC(=O)OC(=C)C1C=CC=CC=1"	"InChI=1S/C10H10O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-7H,1H2,2H3"	"HWCUCNKPBMGSSC-UHFFFAOYSA-N"	"?"
"1339"	"488-69-7"	"D-Fructose-1,6-diphosphate"	"DTXSID0048347"	"OC1C(O)C(COP(O)(O)=O)OC1(O)COP(O)(O)=O"	"InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)"	"RNBGYGVWRKECFJ-UHFFFAOYSA-N"	"?"
"1340"	"15163-46-9"	"Benzenesulfonic acid, 2-dodecyl-, sodium salt"	"DTXSID0041642"	"CCCCCCCCCCCCC1C=CC=CC=1S(O)(=O)=O"	"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)"	"WBIQQQGBSDOWNP-UHFFFAOYSA-N"	"[Na+]"
"1341"	"17751-70-1"			"CCCCC(COC(C[N+]1C=CC=CC=1)C1=CC=C(CCCCCC)C=C1)CC"	"InChI=1S/C27H42NO/c1-4-7-9-11-15-25-16-18-26(19-17-25)27(22-28-20-12-10-13-21-28)29-23-24(6-3)14-8-5-2/h10,12-13,16-21,24,27H,4-9,11,14-15,22-23H2,1-3H3/q+1"	"JGXJARLTZBNPRE-UHFFFAOYSA-N"	"[Br-]"
"1342"	"13071-79-9"	"Terbufos"	"DTXSID2022254"	"CC(C)(C)SCSP(=S)(OCC)OCC"	"InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3"	"XLNZEKHULJKQBA-UHFFFAOYSA-N"	"?"
"1343"	"6790-58-5"	"(-)-Ambroxide"	"DTXSID0047113"	"CC1(C)CCCC2(C)C1CCC1(C)OCCC12"	"InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3"	"YPZUZOLGGMJZJO-UHFFFAOYSA-N"	"?"
"1344"	"1687-61-2"	"m-Cresol, 6-ethyl-"	"DTXSID20168595"	"CC1C=CC(CC)=C(O)C=1"	"InChI=1S/C9H12O/c1-3-8-5-4-7(2)6-9(8)10/h4-6,10H,3H2,1-2H3"	"LTRVUFFOMIUCPJ-UHFFFAOYSA-N"	"?"
"1345"	"58-38-8"	"Prochlorperazine"	"DTXSID7023514"	"CN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(Cl)=CC2=3)CC1"	"InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3"	"WIKYUJGCLQQFNW-UHFFFAOYSA-N"	"?"
"1346"	"119-17-5"	"3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid"	"DTXSID0044785"	"CC1CC(=O)N(N=1)C1=CC(=CC=C1)S(O)(=O)=O"	"InChI=1S/C10H10N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6H,5H2,1H3,(H,14,15,16)"	"VEMGKBUHUTYHHA-UHFFFAOYSA-N"	"?"
"1347"	"3025-30-7"	"Ethyl (2E,4Z)-deca-2,4-dienoate"	"DTXSID0041357"	"CCOC(=O)C=CC=CCCCCC"	"InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3"	"OPCRGEVPIBLWAY-UHFFFAOYSA-N"	"?"
"1348"	"2719-08-6"	"Methyl 2-(acetylamino)benzoate"	"DTXSID0051948"	"CC(=O)NC1C=CC=CC=1C(=O)OC"	"InChI=1S/C10H11NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h3-6H,1-2H3,(H,11,12)"	"UYQKZKVNYKOXHG-UHFFFAOYSA-N"	"?"
"1349"	"1757-18-2"	"Akton"	"DTXSID5034775"	"CCOP(=S)(OC(=CCl)C1C=C(Cl)C=CC=1Cl)OCC"	"InChI=1S/C12H14Cl3O3PS/c1-3-16-19(20,17-4-2)18-12(8-13)10-7-9(14)5-6-11(10)15/h5-8H,3-4H2,1-2H3"	"QCKIOHMRUZJYQZ-UHFFFAOYSA-N"	"?"
"1350"	"556-64-9"	"Methyl thiocyanate"	"DTXSID5060304"	"CSC#N"	"InChI=1S/C2H3NS/c1-4-2-3/h1H3"	"VYHVQEYOFIYNJP-UHFFFAOYSA-N"	"?"
"1351"	"104606-13-5"	"R 56865"	"DTXSID40146613"	"CN(C1CCN(CCCCOC2C=CC(F)=CC=2)CC1)C1=NC2C=CC=CC=2S1"	"InChI=1S/C23H28FN3OS/c1-26(23-25-21-6-2-3-7-22(21)29-23)19-12-15-27(16-13-19)14-4-5-17-28-20-10-8-18(24)9-11-20/h2-3,6-11,19H,4-5,12-17H2,1H3"	"PZPXREFPAFDHNG-UHFFFAOYSA-N"	"?"
"1352"	"74037-29-9"			"CCCC1=NN(C(O)=C1C=O)C1C=CC=CC=1"	"InChI=1S/C13H14N2O2/c1-2-6-12-11(9-16)13(17)15(14-12)10-7-4-3-5-8-10/h3-5,7-9,17H,2,6H2,1H3"	"MKOSELJPVFNBOI-UHFFFAOYSA-N"	"?"
"1353"	"112665-43-7"	"(+-)-7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid"	"DTXSID4021397"	"CC1C(=O)C(C(CCCCCC(O)=O)C2C=CC=CC=2)=C(C)C(=O)C=1C"	"InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)"	"ZBVKEHDGYSLCCC-UHFFFAOYSA-N"	"?"
"1354"	"117-62-4"	"2-Aminonaphthalene-1,5-disulfonic acid"	"DTXSID0045040"	"NC1C=CC2C(=CC=CC=2C=1S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)"	"YAIKCRUPEVOINQ-UHFFFAOYSA-N"	"?"
"1355"	"694-83-7"	"1,2-Cyclohexanediamine"	"DTXSID0027301"	"NC1CCCCC1N"	"InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2"	"SSJXIUAHEKJCMH-UHFFFAOYSA-N"	"?"
"1356"	"149690-78-8"	"D 19050"	"DTXSID50164363"	"C=CCOC(=O)NC1C=CC(NCC2C=CC(F)=CC=2)=NC=1N"	"InChI=1S/C16H17FN4O2/c1-2-9-23-16(22)20-13-7-8-14(21-15(13)18)19-10-11-3-5-12(17)6-4-11/h2-8H,1,9-10H2,(H,20,22)(H3,18,19,21)"	"LOCNFJOGRCMIIO-UHFFFAOYSA-N"	"Cl"
"1357"	"120928-09-8"	"Fenazaquin"	"DTXSID4040476"	"CC(C)(C)C1=CC=C(CCOC2=NC=NC3C=CC=CC=32)C=C1"	"InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3"	"DMYHGDXADUDKCQ-UHFFFAOYSA-N"	"?"
"1358"	"141-22-0"	"(9Z,12R)-12-Hydroxyoctadec-9-enoic acid"	"DTXSID0041567"	"CCCCCCC(O)CC=CCCCCCCCC(O)=O"	"InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)"	"WBHHMMIMDMUBKC-UHFFFAOYSA-N"	"?"
"1359"	"1031-07-8"	"Endosulfan sulfate"	"DTXSID3037541"	"O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"	"InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2"	"AAPVQEMYVNZIOO-UHFFFAOYSA-N"	"?"
"1360"	"28701-67-9"	"1-Propanamine, 3-(isodecyloxy)-, acetate"	"DTXSID0029343"	"CC(C)CCCCCCCOCCCN"	"InChI=1S/C13H29NO/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14/h13H,3-12,14H2,1-2H3"	"DHIBIUNZWFPELU-UHFFFAOYSA-N"	"C(=O)(O)C"
"1361"	"5560-72-5"	"Iprindole"	"DTXSID80204145"	"CN(C)CCCN1C2C=CC=CC=2C2CCCCCCC1=2"	"InChI=1S/C19H28N2/c1-20(2)14-9-15-21-18-12-6-4-3-5-10-16(18)17-11-7-8-13-19(17)21/h7-8,11,13H,3-6,9-10,12,14-15H2,1-2H3"	"PLIGPBGDXASWPX-UHFFFAOYSA-N"	"?"
"1362"	"73713-65-2"			"CC1N=CC(CO)=C(CNC2C=CC(=CC=2)C(=O)OCCN(CC)CC)C=1O"	"InChI=1S/C21H29N3O4/c1-4-24(5-2)10-11-28-21(27)16-6-8-18(9-7-16)23-13-19-17(14-25)12-22-15(3)20(19)26/h6-9,12,23,25-26H,4-5,10-11,13-14H2,1-3H3"	"QBJBWGYVTKMLEV-UHFFFAOYSA-N"	"[Cl-].[Cl-]"
"1363"	"625-69-4"	"2,4-Pentanediol"	"DTXSID9032878"	"CC(O)CC(C)O"	"InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3"	"GTCCGKPBSJZVRZ-UHFFFAOYSA-N"	"?"
"1364"	"135-98-8"	"sec-Butylbenzene"	"DTXSID2022333"	"CCC(C)C1C=CC=CC=1"	"InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3"	"ZJMWRROPUADPEA-UHFFFAOYSA-N"	"?"
"1365"	"68694-11-1"	"Triflumizole"	"DTXSID2032500"	"CCCOCC(=NC1C=CC(Cl)=CC=1C(F)(F)F)N1C=NC=C1"	"InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3"	"HSMVPDGQOIQYSR-UHFFFAOYSA-N"	"?"
"1366"	"64808-48-6"	"Lobenzarit sodium"	"DTXSID8048606"	"OC(=O)C1C=CC(Cl)=CC=1NC1C=CC=CC=1C(O)=O"	"InChI=1S/C14H10ClNO4/c15-8-5-6-10(14(19)20)12(7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,(H,17,18)(H,19,20)"	"UGDPYGKWIHHBMB-UHFFFAOYSA-N"	"[Na+].[Na+]"
"1367"	"2779-66-0"	"Phosphorodithioic acid, S-((3,4-dichlorophenylthio)methyl) O,O-dimethyl ester"	"DTXSID40182112"	"COP(=S)(OC)SCSC1C=C(Cl)C(Cl)=CC=1"	"InChI=1S/C9H11Cl2O2PS3/c1-12-14(15,13-2)17-6-16-7-3-4-8(10)9(11)5-7/h3-5H,6H2,1-2H3"	"BRBJXQTYAAYTQX-UHFFFAOYSA-N"	"?"
"1368"	"38421-90-8"	"(E)-5-Decen-1-ol acetate"	"DTXSID0035295"	"CCCCC=CCCCCOC(C)=O"	"InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h6-7H,3-5,8-11H2,1-2H3"	"VTUFOIHYMMMNOM-UHFFFAOYSA-N"	"?"
"1369"	"60634-41-5"			"CN1CCCCC1CCN1C2=CC(Br)=CC=C2SC2C=CC=CC1=2"	"InChI=1S/C20H23BrN2S/c1-22-12-5-4-6-16(22)11-13-23-17-7-2-3-8-19(17)24-20-10-9-15(21)14-18(20)23/h2-3,7-10,14,16H,4-6,11-13H2,1H3"	"HGXSRQXHKMFKJM-UHFFFAOYSA-N"	"?"
"1370"	"107-15-3"	"Ethylenediamine"	"DTXSID5021881"	"NCCN"	"InChI=1S/C2H8N2/c3-1-2-4/h1-4H2"	"PIICEJLVQHRZGT-UHFFFAOYSA-N"	"?"
"1371"	"36643-74-0"			"OC1CCC2C=CC=CC=21"	"InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2"	"YIAPLDFPUUJILH-UHFFFAOYSA-N"	"?"
"1372"	"41905-80-0"			"CCCCC(CC)C(=O)OC1=C(C2C(C)=CC(C)=CC=2C)C(=O)C2=CC=CC=C21"	"InChI=1S/C26H30O3/c1-6-8-11-19(7-2)26(28)29-25-21-13-10-9-12-20(21)24(27)23(25)22-17(4)14-16(3)15-18(22)5/h9-10,12-15,19H,6-8,11H2,1-5H3"	"VPZWBKSYSNFFTK-UHFFFAOYSA-N"	"?"
"1373"	"111-44-4"	"Bis(2-chloroethyl) ether"	"DTXSID9020168"	"ClCCOCCCl"	"InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2"	"ZNSMNVMLTJELDZ-UHFFFAOYSA-N"	"?"
"1374"	"59-50-7"	"4-Chloro-3-methylphenol"	"DTXSID4021717"	"CC1C=C(O)C=CC=1Cl"	"InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3"	"CFKMVGJGLGKFKI-UHFFFAOYSA-N"	"?"
"1375"	"335-42-2"	"Butanoyl fluoride, heptafluoro-"	"DTXSID0041696"	"O=C(F)C(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C4F8O/c5-1(13)2(6,7)3(8,9)4(10,11)12"	"YYXWJNBPHDUWJP-UHFFFAOYSA-N"	"?"
"1376"	"109-43-3"	"Dibutyl decanedioate"	"DTXSID1041847"	"CCCCOC(=O)CCCCCCCCC(=O)OCCCC"	"InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3"	"PYGXAGIECVVIOZ-UHFFFAOYSA-N"	"?"
"1377"	"104864-90-6"	"2-Methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-1-ol"	"DTXSID0051310"	"CC1=CCC(C(=C)CC(C)CO)C1(C)C"	"InChI=1S/C14H24O/c1-10(9-15)8-11(2)13-7-6-12(3)14(13,4)5/h6,10,13,15H,2,7-9H2,1,3-5H3"	"DGHXZJZALPECTJ-UHFFFAOYSA-N"	"?"
"1378"	"87344-19-2"	"Piperazine, 1-methyl-4-((1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetyl)-"	"DTXSID30236294"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)N2CCN(C)CC2)N1C"	"InChI=1S/C20H25N3O2/c1-15-4-6-16(7-5-15)20(25)18-9-8-17(22(18)3)14-19(24)23-12-10-21(2)11-13-23/h4-9H,10-14H2,1-3H3"	"BMEDLKNPIHMCSO-UHFFFAOYSA-N"	"?"
"1379"	"327-78-6"	"4-Chloro-3-(trifluoromethyl)phenyl isocyanate"	"DTXSID70369818"	"O=C=NC1C=C(C(Cl)=CC=1)C(F)(F)F"	"InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H"	"NBJZEUQTGLSUOB-UHFFFAOYSA-N"	"?"
"1380"	"5116-94-9"	"Monotridecyl phosphate"	"DTXSID0042169"	"CCCCCCCCCCCCCOP(O)(O)=O"	"InChI=1S/C13H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16/h2-13H2,1H3,(H2,14,15,16)"	"GAJQCIFYLSXSEZ-UHFFFAOYSA-N"	"?"
"1381"	"106-69-4"	"1,2,6-Hexanetriol"	"DTXSID0041224"	"OCCCCC(O)CO"	"InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2"	"ZWVMLYRJXORSEP-UHFFFAOYSA-N"	"?"
"1382"	"101023-74-9"			"CCCC=C(CC)C=NCCCCCCCCCCCCCCCCCCCCC"	"InChI=1S/C29H57N/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30-28-29(6-3)26-8-5-2/h26,28H,4-25,27H2,1-3H3"	"YLMMFDJRFDAPIX-UHFFFAOYSA-N"	"?"
"1383"	"87-59-2"	"2,3-Dimethylaniline"	"DTXSID3026304"	"CC1=C(N)C=CC=C1C"	"InChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3"	"VVAKEQGKZNKUSU-UHFFFAOYSA-N"	"?"
"1384"	"89-36-1"	"4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid"	"DTXSID0044999"	"CC1CC(=O)N(N=1)C1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)"	"CWJQQASJVVAXKL-UHFFFAOYSA-N"	"?"
"1385"	"79482-06-7"	"Chlorketone"	"DTXSID30229707"	"O=C1C2=CC=C3CCC4=CC=C(C2=C43)C(=O)C1(Cl)Cl"	"InChI=1S/C15H8Cl2O2/c16-15(17)13(18)9-5-3-7-1-2-8-4-6-10(14(15)19)12(9)11(7)8/h3-6H,1-2H2"	"VPDNTRHVNHBJCM-UHFFFAOYSA-N"	"?"
"1386"	"103-93-5"	"4-Tolyl isobutyrate"	"DTXSID0051522"	"CC1C=CC(CC(=O)C(C)C)=CC=1"	"InChI=1S/C12H16O/c1-9(2)12(13)8-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3"	"RUTLCLHEAOPMKT-UHFFFAOYSA-N"	"?"
"1387"	"93144-68-4"	"Propionamide, 2-(p-chlorophenoxy)-N-(2-(diethylamino)ethyl)-2-methyl-"	"DTXSID40239296"	"CC(C)(OC1C=CC(Cl)=CC=1)C(=O)NCCN(CC)CC"	"InChI=1S/C16H25ClN2O2/c1-5-19(6-2)12-11-18-15(20)16(3,4)21-14-9-7-13(17)8-10-14/h7-10H,5-6,11-12H2,1-4H3,(H,18,20)"	"UCFLBYXMGOWZPX-UHFFFAOYSA-N"	"?"
"1388"	"50679-08-8"	"Terfenadine"	"DTXSID2023642"	"CC(C)(C)C1C=CC(=CC=1)C(O)CCCN1CCC(CC1)C(O)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3"	"GUGOEEXESWIERI-UHFFFAOYSA-N"	"?"
"1389"	"14857-34-2"	"Ethoxydimethylsilane"	"DTXSID0051734"	"CCO[SiH](C)C"	"InChI=1S/C4H12OSi/c1-4-5-6(2)3/h6H,4H2,1-3H3"	"XZFFGKZBTQABBO-UHFFFAOYSA-N"	"?"
"1390"	"104-53-0"	"3-Phenylpropanal"	"DTXSID0047610"	"O=CCCC1C=CC=CC=1"	"InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2"	"YGCZTXZTJXYWCO-UHFFFAOYSA-N"	"?"
"1391"	"50-41-9"	"Clomiphene citrate (1:1)"	"DTXSID8020337"	"CCN(CCOC1C=CC(=CC=1)C(=C(Cl)C1C=CC=CC=1)C1C=CC=CC=1)CC"	"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3"	"GKIRPKYJQBWNGO-UHFFFAOYSA-N"	"C(CC(=O)O)(CC(=O)O)(C(=O)O)O"
"1392"	"1184-64-1"	"Copper(II) carbonate"	"DTXSID6034471"	"OC(O)=O"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	"[Cu+2]"
"1393"	"14270-40-7"	"Phenol, 3-methyl-4-(methylsulfonyl)-"	"DTXSID00162132"	"CC1C=C(O)C=CC=1S(C)(=O)=O"	"InChI=1S/C8H10O3S/c1-6-5-7(9)3-4-8(6)12(2,10)11/h3-5,9H,1-2H3"	"KGPGKOSHODHUSR-UHFFFAOYSA-N"	"?"
"1394"	"54473-55-1"			"CCC(=O)NP(=O)(OC)SCC=C"	"InChI=1S/C7H14NO3PS/c1-4-6-13-12(10,11-3)8-7(9)5-2/h4H,1,5-6H2,2-3H3,(H,8,9,10)"	"FILACZGQIOMMOX-UHFFFAOYSA-N"	"?"
"1395"	"3572-06-3"	"4-(4-(Acetyloxy)phenyl)-2-butanone"	"DTXSID2035481"	"CC(=O)CCC1C=CC(=CC=1)OC(C)=O"	"InChI=1S/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3"	"UMIKWXDGXDJQJK-UHFFFAOYSA-N"	"?"
"1396"	"16768-69-7"	"1-Ethyl-1,2,3,4-tetrahydroquinoline"	"DTXSID4073411"	"CCN1CCCC2C=CC=CC1=2"	"InChI=1S/C11H15N/c1-2-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8H,2,5,7,9H2,1H3"	"QYKOLWLKTJIVEX-UHFFFAOYSA-N"	"?"
"1397"	"16712-64-4"	"6-Hydroxy-2-naphthoic acid"	"DTXSID3029312"	"OC1C=C2C=CC(=CC2=CC=1)C(O)=O"	"InChI=1S/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14)"	"KAUQJMHLAFIZDU-UHFFFAOYSA-N"	"?"
"1398"	"6012-78-8"	"Phenol, 2,2'-thiobis(6-tert-butyl-4-chloro-"	"DTXSID30208870"	"CC(C)(C)C1=CC(Cl)=CC(SC2=CC(Cl)=CC(=C2O)C(C)(C)C)=C1O"	"InChI=1S/C20H24Cl2O2S/c1-19(2,3)13-7-11(21)9-15(17(13)23)25-16-10-12(22)8-14(18(16)24)20(4,5)6/h7-10,23-24H,1-6H3"	"STBISWCOPIJZJA-UHFFFAOYSA-N"	"?"
"1399"	"633-96-5"	"C.I. Acid Orange 7"	"DTXSID0038881"	"OC1C=CC2=CC=CC=C2C=1N=NC1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C16H12N2O4S/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22/h1-10,19H,(H,20,21,22)"	"RDUJRVXKAIVTDH-UHFFFAOYSA-N"	"[Na+]"
"1400"	"31098-20-1"			"C=CC(=O)OCCCS(O)(=O)=O"	"InChI=1S/C6H10O5S/c1-2-6(7)11-4-3-5-12(8,9)10/h2H,1,3-5H2,(H,8,9,10)"	"NYUTUWAFOUJLKI-UHFFFAOYSA-N"	"[K+]"
"1401"	"59379-68-9"			"CC1CSC(CS1)=NOC(=O)NC"	"InChI=1S/C7H12N2O2S2/c1-5-3-13-6(4-12-5)9-11-7(10)8-2/h5H,3-4H2,1-2H3,(H,8,10)"	"UDVRVYITEYEGRJ-UHFFFAOYSA-N"	"?"
"1402"	"506-59-2"	"N-Methylmethanamine hydrochloride"	"DTXSID8027163"	"CNC"	"InChI=1S/C2H7N/c1-3-2/h3H,1-2H3"	"ROSDSFDQCJNGOL-UHFFFAOYSA-N"	"Cl"
"1403"	"462-06-6"	"Fluorobenzene"	"DTXSID4025329"	"FC1C=CC=CC=1"	"InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H"	"PYLWMHQQBFSUBP-UHFFFAOYSA-N"	"?"
"1404"	"2921-31-5"	"2-Chlorohexahydro-4-methyl 4H-1,3,2-benzodioxaphosphorin 2-sulfide"	"DTXSID2041410"	"CC1OP(=S)(Cl)OC2CCCCC21"	"InChI=1S/C8H14ClO2PS/c1-6-7-4-2-3-5-8(7)11-12(9,13)10-6/h6-8H,2-5H2,1H3"	"HPLOCTDGLFAFAF-UHFFFAOYSA-N"	"?"
"1405"	"22373-78-0"	"Monensin sodium"	"DTXSID2045573"	"CC1(CCC2(CC(O)C(C)C(O2)C(C)C(OC)C(C)C(O)=O)O1)C1CCC(CC)(O1)C1OC(CC1C)C1OC(O)(CO)C(C)CC1C"	"InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)"	"GAOZTHIDHYLHMS-UHFFFAOYSA-N"	"[Na+]"
"1406"	"80834-53-3"			"CC1=C(C=CC=C1C)N1CCN(CCC(O)C2C=C3CCC(=O)NC3=CC=2)CC1"	"InChI=1S/C24H31N3O2/c1-17-4-3-5-22(18(17)2)27-14-12-26(13-15-27)11-10-23(28)20-6-8-21-19(16-20)7-9-24(29)25-21/h3-6,8,16,23,28H,7,9-15H2,1-2H3,(H,25,29)"	"XMZRQLSZNWAJLW-UHFFFAOYSA-N"	"?"
"1407"	"2402-79-1"	"2,3,5,6-Tetrachloropyridine"	"DTXSID7027467"	"ClC1=CC(Cl)=C(Cl)N=C1Cl"	"InChI=1S/C5HCl4N/c6-2-1-3(7)5(9)10-4(2)8/h1H"	"FATBKZJZAHWCSL-UHFFFAOYSA-N"	"?"
"1408"	"25369-78-2"	"2-Benzimidazolinethione, 5-chloro-"	"DTXSID80180011"	"S=C1NC2C=C(Cl)C=CC=2N1"	"InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)"	"ZZIHEYOZBRPWMB-UHFFFAOYSA-N"	"?"
"1409"	"120-35-4"	"3-Amino-4-methoxybenzanilide"	"DTXSID0051607"	"COC1C=CC(=CC=1N)C(=O)NC1C=CC=CC=1"	"InChI=1S/C14H14N2O2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)"	"LHMQDVIHBXWNII-UHFFFAOYSA-N"	"?"
"1410"	"98-13-5"	"Trichlorophenylsilane"	"DTXSID5026621"	"Cl[Si](Cl)(Cl)C1C=CC=CC=1"	"InChI=1S/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H"	"ORVMIVQULIKXCP-UHFFFAOYSA-N"	"?"
"1411"	"104-93-8"	"1-Methoxy-4-methylbenzene"	"DTXSID9026710"	"CC1C=CC(=CC=1)OC"	"InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3"	"CHLICZRVGGXEOD-UHFFFAOYSA-N"	"?"
"1412"	"117-14-6"	"1,5-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-"	"DTXSID1059448"	"OS(=O)(=O)C1=CC=CC2=C1C(=O)C1=CC=CC(=C1C2=O)S(O)(=O)=O"	"InChI=1S/C14H8O8S2/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)8-4-2-6-10(12(8)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)"	"OZTBHAGJSKTDGM-UHFFFAOYSA-N"	"?"
"1413"	"618-45-1"	"3-Isopropylphenol"	"DTXSID0044571"	"CC(C)C1C=C(O)C=CC=1"	"InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3"	"VLJSLTNSFSOYQR-UHFFFAOYSA-N"	"?"
"1414"	"71-23-8"	"1-Propanol"	"DTXSID2021739"	"CCCO"	"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3"	"BDERNNFJNOPAEC-UHFFFAOYSA-N"	"?"
"1415"	"28805-58-5"	"Butanedioic acid, octenyl-"	"DTXSID0036471"	"CCCCCCC=CC(CC(O)=O)C(O)=O"	"InChI=1S/C12H20O4/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14/h7-8,10H,2-6,9H2,1H3,(H,13,14)(H,15,16)"	"KCYQMQGPYWZZNJ-UHFFFAOYSA-N"	"?"
"1416"	"105-08-8"	"1,4-Cyclohexanedimethanol"	"DTXSID9026712"	"OCC1CCC(CC1)CO"	"InChI=1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2"	"YIMQCDZDWXUDCA-UHFFFAOYSA-N"	"?"
"1417"	"118-92-3"	"Anthranilic acid"	"DTXSID8020094"	"NC1C=CC=CC=1C(O)=O"	"InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)"	"RWZYAGGXGHYGMB-UHFFFAOYSA-N"	"?"
"1418"	"71526-07-3"	"MON-4660"	"DTXSID0044575"	"O=C(C(Cl)Cl)N1CCOC21CCCCC2"	"InChI=1S/C10H15Cl2NO2/c11-8(12)9(14)13-6-7-15-10(13)4-2-1-3-5-10/h8H,1-7H2"	"QWWHRELOCZEQNZ-UHFFFAOYSA-N"	"?"
"1419"	"124-30-1"	"1-Octadecanamine"	"DTXSID1025801"	"CCCCCCCCCCCCCCCCCCN"	"InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3"	"REYJJPSVUYRZGE-UHFFFAOYSA-N"	"?"
"1420"	"7287-19-6"	"Prometryn"	"DTXSID4024272"	"CSC1N=C(NC(C)C)N=C(NC(C)C)N=1"	"InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)"	"AAEVYOVXGOFMJO-UHFFFAOYSA-N"	"?"
"1421"	"1187-59-3"	"2-Propenamide, N-methyl-"	"DTXSID9041449"	"CNC(=O)C=C"	"InChI=1S/C4H7NO/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)"	"YPHQUSNPXDGUHL-UHFFFAOYSA-N"	"?"
"1422"	"96-08-2"	"Limonene dioxide"	"DTXSID9042097"	"CC1OC1C1CCC2(C)OC2C1"	"InChI=1S/C10H16O2/c1-6-9(11-6)7-3-4-10(2)8(5-7)12-10/h6-9H,3-5H2,1-2H3"	"YIEDFHHVUWKOEV-UHFFFAOYSA-N"	"?"
"1423"	"118-96-7"	"2,4,6-Trinitrotoluene"	"DTXSID7024372"	"CC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3"	"SPSSULHKWOKEEL-UHFFFAOYSA-N"	"?"
"1424"	"24168-70-5"	"2-sec-Butyl-3-methoxypyrazine"	"DTXSID0047082"	"CCC(C)C1=NC=CN=C1OC"	"InChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3"	"QMQDJVIJVPEQHE-UHFFFAOYSA-N"	"?"
"1425"	"53243-59-7"	"(2Z)-3-Methyl-5-phenylpent-2-enenitrile"	"DTXSID0052170"	"CC(CCC1C=CC=CC=1)=CC#N"	"InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3"	"QELCXXZZKSRBET-UHFFFAOYSA-N"	"?"
"1426"	"111-31-9"	"1-Hexanethiol"	"DTXSID0051574"	"CCCCCCS"	"InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3"	"PMBXCGGQNSVESQ-UHFFFAOYSA-N"	"?"
"1427"	"40712-66-1"	"4(3H)-Quinazolinone, 3-(4-bromo-o-tolyl)-2-methyl-, monohydrochloride"	"DTXSID50193698"	"CC1C=C(Br)C=CC=1N1C(=O)C2C=CC=CC=2N=C1C"	"InChI=1S/C16H13BrN2O/c1-10-9-12(17)7-8-15(10)19-11(2)18-14-6-4-3-5-13(14)16(19)20/h3-9H,1-2H3"	"CIYGULLCDQXZNK-UHFFFAOYSA-N"	"Cl"
"1428"	"1073-67-2"	"Benzene, 1-chloro-4-ethenyl-"	"DTXSID4061464"	"C=CC1C=CC(Cl)=CC=1"	"InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2"	"KTZVZZJJVJQZHV-UHFFFAOYSA-N"	"?"
"1429"	"56449-46-8"	"Poly(oxy-1,2-ethanediyl), alpha-hydro-omega-hydroxy-, (9Z)-9-octadecenoate"	"DTXSID0049737"	"CCCCCCCCC=CCCCCCCCC(=O)OCO"	"InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)22-18-20/h9-10,20H,2-8,11-18H2,1H3"	"CWABLJOHCHMTBW-UHFFFAOYSA-N"	"?"
"1430"	"389-08-2"	"Nalidixic acid"	"DTXSID3020912"	"CC1C=CC2=C(N=1)N(CC)C=C(C(O)=O)C2=O"	"InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)"	"MHWLWQUZZRMNGJ-UHFFFAOYSA-N"	"?"
"1431"	"4353-28-0"	"Tetraethylene glycol diethyl ether"	"DTXSID0052099"	"CCOCCOCCOCCOCCOCC"	"InChI=1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3"	"HYDWALOBQJFOMS-UHFFFAOYSA-N"	"?"
"1432"	"3734-97-2"	"Amiton oxalate"	"DTXSID9041601"	"CCN(CCSP(=O)(OCC)OCC)CC"	"InChI=1S/C10H24NO3PS/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4/h5-10H2,1-4H3"	"PJISLFCKHOHLLP-UHFFFAOYSA-N"	"C(C(=O)O)(=O)O"
"1433"	"89-57-6"	"5-Aminosalicylic acid"	"DTXSID5024506"	"NC1=CC=C(O)C(=C1)C(O)=O"	"InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)"	"KBOPZPXVLCULAV-UHFFFAOYSA-N"	"?"
"1434"	"13361-31-4"	"Acetic acid, cyano-, 2-methylpropyl ester"	"DTXSID6065424"	"CC(C)COC(=O)CC#N"	"InChI=1S/C7H11NO2/c1-6(2)5-10-7(9)3-4-8/h6H,3,5H2,1-2H3"	"HRGQEKKNLHJZGZ-UHFFFAOYSA-N"	"?"
"1435"	"4684-94-0"	"6-Chloro-2-picolinic acid"	"DTXSID7040289"	"OC(=O)C1C=CC=C(Cl)N=1"	"InChI=1S/C6H4ClNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)"	"ZLKMOIHCHCMSFW-UHFFFAOYSA-N"	"?"
"1436"	"423-39-2"	"Nonafluoro-1-iodobutane"	"DTXSID0047583"	"FC(F)(F)C(F)(F)C(F)(F)C(F)(F)I"	"InChI=1S/C4F9I/c5-1(6,3(9,10)11)2(7,8)4(12,13)14"	"PGRFXXCKHGIFSV-UHFFFAOYSA-N"	"?"
"1437"	"2431-54-1"			"ClC(CCl)=CCCl"	"InChI=1S/C4H5Cl3/c5-2-1-4(7)3-6/h1H,2-3H2"	"SXCATGXBSQWDDJ-UHFFFAOYSA-N"	"?"
"1438"	"136-96-9"	"Diamthazole dihydrochloride"	"DTXSID40159627"	"CN(C)C1=NC2C=CC(=CC=2S1)OCCN(CC)CC"	"InChI=1S/C15H23N3OS/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4/h7-8,11H,5-6,9-10H2,1-4H3"	"WGMYEOIMVYADRJ-UHFFFAOYSA-N"	"Cl.Cl"
"1439"	"1134-04-9"	"2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine"	"DTXSID0044781"	"ClC1N=C(C(Cl)=C(Cl)C=1Cl)C(Cl)(Cl)Cl"	"InChI=1S/C6Cl7N/c7-1-2(8)4(6(11,12)13)14-5(10)3(1)9"	"YMBFWRZKTZICHS-UHFFFAOYSA-N"	"?"
"1440"	"79902-63-9"	"Simvastatin"	"DTXSID0023581"	"CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21"	"InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3"	"RYMZZMVNJRMUDD-UHFFFAOYSA-N"	"?"
"1441"	"101-68-8"	"4,4'-Diphenylmethane diisocyanate"	"DTXSID7025180"	"O=C=NC1C=CC(CC2C=CC(=CC=2)N=C=O)=CC=1"	"InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2"	"UPMLOUAZCHDJJD-UHFFFAOYSA-N"	"?"
"1442"	"15205-68-2"	"Acrylic acid, 2-(ethylthio)ethyl ester"	"DTXSID20164951"	"CCSCCOC(=O)C=C"	"InChI=1S/C7H12O2S/c1-3-7(8)9-5-6-10-4-2/h3H,1,4-6H2,2H3"	"AJJCQYIECZAJBB-UHFFFAOYSA-N"	"?"
"1443"	"89-43-0"	"Methyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate"	"DTXSID0044579"	"CC(C)(O)CCCC(C)CC=NC1C=CC=CC=1C(=O)OC"	"InChI=1S/C18H27NO3/c1-14(8-7-12-18(2,3)21)11-13-19-16-10-6-5-9-15(16)17(20)22-4/h5-6,9-10,13-14,21H,7-8,11-12H2,1-4H3"	"BFBPISPWJZMWJN-UHFFFAOYSA-N"	"?"
"1444"	"76095-16-4"			"CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1CCCC1C(O)=O"	"InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)"	"GBXSMTUPTTWBMN-UHFFFAOYSA-N"	"C(=C/C(=O)O)/C(=O)O"
"1445"	"68015-67-8"	"Poly(oxy-1,2-ethanediyl), alpha-(2,3,4,5-tetramethylnonyl)-omega-hydroxy"	"DTXSID0051281"	"CCCCC(C)C(C)C(C)C(C)COCCO"	"InChI=1S/C15H32O2/c1-6-7-8-12(2)14(4)15(5)13(3)11-17-10-9-16/h12-16H,6-11H2,1-5H3"	"MKUBXIWLTWMQID-UHFFFAOYSA-N"	"?"
"1446"	"32791-31-4"	"2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-butenal"	"DTXSID0041438"	"CC1CCCC(C)(C)C=1C=CC(C)C=O"	"InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7-8,10-11H,5-6,9H2,1-4H3"	"HVDGAAPQCCUWDO-UHFFFAOYSA-N"	"?"
"1447"	"77668-42-9"	"(2,3-Dichlorophenyl)oxoacetonitrile"	"DTXSID80228306"	"N#CC(=O)C1=CC=CC(Cl)=C1Cl"	"InChI=1S/C8H3Cl2NO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3H"	"FIBBFBXFASKAON-UHFFFAOYSA-N"	"?"
"1448"	"38051-02-4"	"1-[2-({[5-Diethylamino)-2-{[4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl]sulfonyl}amino)ethyl]pyridinium chloride"	"DTXSID7048611"	"CN(C)S(=O)(=O)C1C=CC(=CC=1)N=NC1=CC=C(C=C1S(=O)(=O)NCC[N+]1C=CC=CC=1)N(CC)CC"	"InChI=1S/C25H33N6O4S2/c1-5-31(6-2)22-12-15-24(28-27-21-10-13-23(14-11-21)37(34,35)29(3)4)25(20-22)36(32,33)26-16-19-30-17-8-7-9-18-30/h7-15,17-18,20,26H,5-6,16,19H2,1-4H3/q+1"	"DLIRUVZALPTEMG-UHFFFAOYSA-N"	"[Cl-]"
"1449"	"123886-71-5"	"Ethanamine, 2-(4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-,hydrochloride, trans-"	"DTXSID80154136"	"COC1C=CC2C(C(C3C=CC=CC=3)C(C)(C)OC=2C=1)C1C=CC(=CC=1)OCCN"	"InChI=1S/C26H29NO3/c1-26(2)25(19-7-5-4-6-8-19)24(18-9-11-20(12-10-18)29-16-15-27)22-14-13-21(28-3)17-23(22)30-26/h4-14,17,24-25H,15-16,27H2,1-3H3"	"YWEKRBXPCZYEBB-UHFFFAOYSA-N"	"?"
"1450"	"320-60-5"	"2,4-Dichlorobenzotrifluoride"	"DTXSID0047959"	"FC(F)(F)C1=CC=C(Cl)C=C1Cl"	"InChI=1S/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H"	"KALSHRGEFLVFHE-UHFFFAOYSA-N"	"?"
"1451"	"82-02-0"	"Khellin"	"DTXSID9045267"	"CC1=CC(=O)C2C(O1)=C(OC)C1OC=CC=1C=2OC"	"InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3"	"HSMPDPBYAYSOBC-UHFFFAOYSA-N"	"?"
"1452"	"19395-58-5"	"Moquizone"	"DTXSID60173007"	"O=C1C2C=CC=CC=2N(CN1C1C=CC=CC=1)C(=O)CN1CCOCC1"	"InChI=1S/C20H21N3O3/c24-19(14-21-10-12-26-13-11-21)23-15-22(16-6-2-1-3-7-16)20(25)17-8-4-5-9-18(17)23/h1-9H,10-15H2"	"VCRQLDNIOXNDMT-UHFFFAOYSA-N"	"?"
"1453"	"91-88-3"	"2-(N-Ethyl-m-toluidino)ethanol"	"DTXSID3021801"	"CC1C=C(C=CC=1)N(CCO)CC"	"InChI=1S/C11H17NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11/h4-6,9,13H,3,7-8H2,1-2H3"	"KRNUKKZDGDAWBF-UHFFFAOYSA-N"	"?"
"1454"	"107-96-0"	"3-Mercaptopropanoic acid"	"DTXSID8026775"	"OC(=O)CCS"	"InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)"	"DKIDEFUBRARXTE-UHFFFAOYSA-N"	"?"
"1455"	"572-48-5"	"Coumithoate"	"DTXSID1058131"	"CCOP(=S)(OC1C=C2OC(=O)C3CCCCC=3C2=CC=1)OCC"	"InChI=1S/C17H21O5PS/c1-3-19-23(24,20-4-2)22-12-9-10-14-13-7-5-6-8-15(13)17(18)21-16(14)11-12/h9-11H,3-8H2,1-2H3"	"NSMRHYDOKZAMKJ-UHFFFAOYSA-N"	"?"
"1456"	"1134-23-2"	"Cycloate"	"DTXSID6032356"	"CCN(C1CCCCC1)C(=O)SCC"	"InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3"	"DFCAFRGABIXSDS-UHFFFAOYSA-N"	"?"
"1457"	"72468-80-5"			"CN(C)CCCCOC1C=CC=CC=1C=CC1C=CC=CC=1"	"InChI=1S/C20H25NO/c1-21(2)16-8-9-17-22-20-13-7-6-12-19(20)15-14-18-10-4-3-5-11-18/h3-7,10-15H,8-9,16-17H2,1-2H3"	"UBOMOXCJFCWPSI-UHFFFAOYSA-N"	"Cl"
"1458"	"18174-58-8"	"Pipoxolan hydrochloride"	"DTXSID5057672"	"O=C1OC(CCN2CCCCC2)OC1(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C22H25NO3/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)26-20(25-21)14-17-23-15-8-3-9-16-23/h1-2,4-7,10-13,20H,3,8-9,14-17H2"	"DXSUDONPFZKWOO-UHFFFAOYSA-N"	"Cl"
"1459"	"68479-04-9"	"1,3-Propanediamine, N-[3-(tridecyloxy)propyl]-, branched"	"DTXSID0028616"	"CC(C)CC(C)CCCCCCCOCCCNCCCN"	"InChI=1S/C19H42N2O/c1-18(2)17-19(3)11-7-5-4-6-8-15-22-16-10-14-21-13-9-12-20/h18-19,21H,4-17,20H2,1-3H3"	"OMQFYSDZSLDVLL-UHFFFAOYSA-N"	"?"
"1460"	"100-06-1"	"4'-Methoxyacetophenone"	"DTXSID2044347"	"CC(=O)C1=CC=C(C=C1)OC"	"InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3"	"NTPLXRHDUXRPNE-UHFFFAOYSA-N"	"?"
"1461"	"112-15-2"	"2-(2-Ethoxyethoxy)ethyl acetate"	"DTXSID6026905"	"CCOCCOCCOC(C)=O"	"InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3"	"FPZWZCWUIYYYBU-UHFFFAOYSA-N"	"?"
"1462"	"527-84-4"	"1-Methyl-2-(propan-2-yl)benzene"	"DTXSID1052165"	"CC1=CC=CC=C1C(C)C"	"InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3"	"WWRCMNKATXZARA-UHFFFAOYSA-N"	"?"
"1463"	"6334-11-8"	"2,4,6-Trimethylaniline hydrochloride"	"DTXSID6021400"	"CC1C=C(C)C=C(C)C=1N"	"InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3"	"KWVPRPSXBZNOHS-UHFFFAOYSA-N"	"Cl"
"1464"	"3505-38-2"	"Carbinoxamine maleate"	"DTXSID0047828"	"CN(C)CCOC(C1=CC=CC=N1)C1C=CC(Cl)=CC=1"	"InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3"	"OJFSXZCBGQGRNV-UHFFFAOYSA-N"	"C(/C=C\C(=O)O)(=O)O"
"1465"	"106231-34-9"			"CC1OC(CC)SC1=NOC(=O)NC"	"InChI=1S/C8H14N2O3S/c1-4-6-12-5(2)7(14-6)10-13-8(11)9-3/h5-6H,4H2,1-3H3,(H,9,11)"	"WNZYUVSDESQQME-UHFFFAOYSA-N"	"?"
"1466"	"116-09-6"	"Hydroxyacetone"	"DTXSID8051590"	"CC(=O)CO"	"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3"	"XLSMFKSTNGKWQX-UHFFFAOYSA-N"	"?"
"1467"	"344-72-9"	"Ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate"	"DTXSID0051491"	"CCOC(=O)C1SC(N)=NC=1C(F)(F)F"	"InChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(7(8,9)10)12-6(11)15-3/h2H2,1H3,(H2,11,12)"	"XJRPTMORGOIMMI-UHFFFAOYSA-N"	"?"
"1468"	"61432-55-1"	"Dimepiperate"	"DTXSID5058141"	"CC(C)(SC(=O)N1CCCCC1)C1C=CC=CC=1"	"InChI=1S/C15H21NOS/c1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3"	"BWUPSGJXXPATLU-UHFFFAOYSA-N"	"?"
"1469"	"941-69-5"	"1-Phenyl-1H-pyrrole-2,5-dione"	"DTXSID0041274"	"O=C1C=CC(=O)N1C1C=CC=CC=1"	"InChI=1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H"	"HIDBROSJWZYGSZ-UHFFFAOYSA-N"	"?"
"1470"	"98-57-7"	"4-Chlorophenyl methyl sulfone"	"DTXSID3023974"	"CS(=O)(=O)C1C=CC(Cl)=CC=1"	"InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3"	"LMCOQDVJBWVNNI-UHFFFAOYSA-N"	"?"
"1471"	"110-75-8"	"2-Chloroethyl vinyl ether"	"DTXSID0051570"	"C=COCCCl"	"InChI=1S/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2"	"DNJRKFKAFWSXSE-UHFFFAOYSA-N"	"?"
"1472"	"40949-94-8"	"Potassium bis(trimethylsilyl)amide"	"DTXSID00390655"	"C[Si](C)(C)N[Si](C)(C)C"	"InChI=1S/C6H19NSi2/c1-8(2,3)7-9(4,5)6/h7H,1-6H3"	"FFUAGWLWBBFQJT-UHFFFAOYSA-N"	"[K+]"
"1473"	"30772-79-3"	"Octahydro-4,7-methano-1H-indenecarbaldehyde"	"DTXSID0051990"	"O=CC1CCC2C1C1CC2CC1"	"InChI=1S/C11H16O/c12-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h6-11H,1-5H2"	"USPJNXWHVJTDJW-UHFFFAOYSA-N"	"?"
"1474"	"98-73-7"	"4-tert-Butylbenzoic acid"	"DTXSID0040703"	"CC(C)(C)C1C=CC(=CC=1)C(O)=O"	"InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)"	"KDVYCTOWXSLNNI-UHFFFAOYSA-N"	"?"
"1475"	"61738-03-2"			"CCN(N=O)C(C)OC"	"InChI=1S/C5H12N2O2/c1-4-7(6-8)5(2)9-3/h5H,4H2,1-3H3"	"DCUKVUVLSDGDEZ-UHFFFAOYSA-N"	"?"
"1476"	"593-29-3"	"Potassium stearate"	"DTXSID0042323"	"CCCCCCCCCCCCCCCCCC(O)=O"	"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)"	"QIQXTHQIDYTFRH-UHFFFAOYSA-N"	"[K+]"
"1477"	"491-04-3"	"6-(Isopropyl)-3-methylcyclohex-2-en-1-ol"	"DTXSID0052128"	"CC(C)C1CCC(C)=CC1O"	"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3"	"HPOHAUWWDDPHRS-UHFFFAOYSA-N"	"?"
"1478"	"10126-68-8"	"2-Oxetanone, 4-heptadecylidene-3-hexadecyl-"	"DTXSID0029715"	"CCCCCCCCCCCCCCCCC1C(=O)OC1=CCCCCCCCCCCCCCCCC"	"InChI=1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34(36(37)38-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3"	"NGDLSKPZMOTRTR-UHFFFAOYSA-N"	"?"
"1479"	"63956-91-2"			"CCCOC(=O)NC1=CC=CO1"	"InChI=1S/C8H11NO3/c1-2-5-12-8(10)9-7-4-3-6-11-7/h3-4,6H,2,5H2,1H3,(H,9,10)"	"PEGNJICWIBQPNA-UHFFFAOYSA-N"	"?"
"1480"	"40643-37-6"			"C/N=N/NC1=CC=C(I)C=C1"	"InChI=1S/C7H8IN3/c1-9-11-10-7-4-2-6(8)3-5-7/h2-5H,1H3,(H,9,10)"	"NUNUQSLVNRPSQB-UHFFFAOYSA-N"	"?"
"1481"	"590-63-6"	"Bethanechol"	"DTXSID2022676"	"CC(C[N+](C)(C)C)OC(N)=O"	"InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1"	"NZUPCNDJBJXXRF-UHFFFAOYSA-O"	"[Cl-]"
"1482"	"68584-27-0"	"Benzenesulfonic acid, C10-16-alkyl derivs., potassium salts"	"DTXSID0050477"	"CCCCCCCCCCC(CC)C1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C19H32O3S/c1-3-5-6-7-8-9-10-11-12-17(4-2)18-13-15-19(16-14-18)23(20,21)22/h13-17H,3-12H2,1-2H3,(H,20,21,22)"	"QAFZYDRHQRILAT-UHFFFAOYSA-N"	"[K+]"
"1483"	"562-49-2"	"Pentane,3,3-dimethyl-"	"DTXSID0049319"	"CC(C)(CC)CC"	"InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3"	"AEXMKKGTQYQZCS-UHFFFAOYSA-N"	"?"
"1484"	"2580-56-5"	"Basic Blue 26"	"DTXSID0038889"	"CN(C)C1C=CC(=CC=1)C(C1=CC=C(NC2C=CC=CC=2)C2C=CC=CC=21)=C1C=CC(C=C1)=[N+](C)C"	"InChI=1S/C33H31N3/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26/h5-23H,1-4H3/p+1"	"DBBPLAJYLIMROH-UHFFFAOYSA-O"	"[Cl-]"
"1485"	"16752-54-8"			"CNC(C)C#N"	"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3"	"MTKGPLGETVCLCF-UHFFFAOYSA-N"	"?"
"1486"	"69002-84-2"	"5-Hydroxydiclofenac"	"DTXSID00219059"	"OC1C=C(CC(O)=O)C(=CC=1)NC1C(Cl)=CC=CC=1Cl"	"InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)"	"VNQURRWYKFZKJZ-UHFFFAOYSA-N"	"?"
"1487"	"1852-14-8"	"1,1'-Ethylenebisurea"	"DTXSID0051819"	"NC(=O)NCCNC(N)=O"	"InChI=1S/C4H10N4O2/c5-3(9)7-1-2-8-4(6)10/h1-2H2,(H3,5,7,9)(H3,6,8,10)"	"ZUTJDJAXWKOOOI-UHFFFAOYSA-N"	"?"
"1488"	"1190-16-5"	"4-(Dichloromethylsilyl)butyronitrile"	"DTXSID5051600"	"C[Si](Cl)(Cl)CCCC#N"	"InChI=1S/C5H9Cl2NSi/c1-9(6,7)5-3-2-4-8/h2-3,5H2,1H3"	"UIFBMBZYGZSWQE-UHFFFAOYSA-N"	"?"
"1489"	"1940-42-7"	"4-Bromo-2,5-dichlorophenol"	"DTXSID3062073"	"OC1C=C(Cl)C(Br)=CC=1Cl"	"InChI=1S/C6H3BrCl2O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H"	"HWWKEEKUMAZJLL-UHFFFAOYSA-N"	"?"
"1490"	"765-15-1"	"Lauryl thiocyanate"	"DTXSID5042089"	"CCCCCCCCCCCCSC#N"	"InChI=1S/C13H25NS/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h2-12H2,1H3"	"RYZZMYXTNUJGMU-UHFFFAOYSA-N"	"?"
"1491"	"30653-83-9"			"CCCCNC(=O)C1C=C(N)C=CC=1OCC#C"	"InChI=1S/C14H18N2O2/c1-3-5-8-16-14(17)12-10-11(15)6-7-13(12)18-9-4-2/h2,6-7,10H,3,5,8-9,15H2,1H3,(H,16,17)"	"DXHYQIJBUNRPJT-UHFFFAOYSA-N"	"?"
"1492"	"97-00-7"	"1-Chloro-2,4-dinitrobenzene"	"DTXSID6020278"	"[O-][N+](=O)C1C=C(C=CC=1Cl)[N+]([O-])=O"	"InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H"	"VYZAHLCBVHPDDF-UHFFFAOYSA-N"	"?"
"1493"	"82469-79-2"	"Butyryl trihexyl citrate"	"DTXSID0047535"	"CCCC(=O)OC(CC(=O)OCCCCCC)(CC(=O)OCCCCCC)C(=O)OCCCCCC"	"InChI=1S/C28H50O8/c1-5-9-12-15-19-33-25(30)22-28(36-24(29)18-8-4,27(32)35-21-17-14-11-7-3)23-26(31)34-20-16-13-10-6-2/h5-23H2,1-4H3"	"GWVUTNGDMGTPFE-UHFFFAOYSA-N"	"?"
"1494"	"105-28-2"	"2-Heptadecyl-2-imidazoline"	"DTXSID0043769"	"CCCCCCCCCCCCCCCCCC1NCCN=1"	"InChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h2-19H2,1H3,(H,21,22)"	"NCVGSSQICKMAIA-UHFFFAOYSA-N"	"?"
"1495"	"93-75-4"	"Thioquinox"	"DTXSID3042471"	"S=C1SC2N=C3C=CC=CC3=NC=2S1"	"InChI=1S/C9H4N2S3/c12-9-13-7-8(14-9)11-6-4-2-1-3-5(6)10-7/h1-4H"	"ILERPRJWJPJZDN-UHFFFAOYSA-N"	"?"
"1496"	"1476-53-5"	"Novobiocin sodium"	"DTXSID9023386"	"CC(C)=CCC1C=C(C=CC=1O)C(=O)NC1C(=O)OC2C(=CC=C(OC3OC(C)(C)C(OC)C(OC(N)=O)C3O)C=2C)C=1O"	"InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)"	"YJQPYGGHQPGBLI-UHFFFAOYSA-N"	"[Na+]"
"1497"	"544-77-4"	"1-iodohexadecane"	"DTXSID0049317"	"CCCCCCCCCCCCCCCCI"	"InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3"	"KMWHQYDMBYABKL-UHFFFAOYSA-N"	"?"
"1498"	"63732-08-1"			"CCOC(=O)CC(=O)OC(Br)C(Cl)(Cl)Cl"	"InChI=1S/C7H8BrCl3O4/c1-2-14-4(12)3-5(13)15-6(8)7(9,10)11/h6H,2-3H2,1H3"	"VVVRYQWQSSUBOC-UHFFFAOYSA-N"	"?"
"1499"	"18470-07-0"			"CC1CCC(CC=1)C(C)(C)OP(=S)(OC)OC"	"InChI=1S/C12H23O3PS/c1-10-6-8-11(9-7-10)12(2,3)15-16(17,13-4)14-5/h6,11H,7-9H2,1-5H3"	"FEIBWHWCCJKRQE-UHFFFAOYSA-N"	"?"
"1500"	"13494-07-0"	"3,5-Dimethyl-1,2-cyclopentanedione"	"DTXSID0047660"	"CC1CC(C)C(=O)C1=O"	"InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3"	"MIDXCONKKJTLDX-UHFFFAOYSA-N"	"?"
"1501"	"69409-94-5"	"Fluvalinate"	"DTXSID7024110"	"CC(C)C(NC1C=CC(=CC=1Cl)C(F)(F)F)C(=O)OC(C#N)C1C=CC=C(C=1)OC1C=CC=CC=1"	"InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3"	"INISTDXBRIBGOC-UHFFFAOYSA-N"	"?"
"1502"	"7246-20-0"			"OP(O)(=O)OCC(Cl)(Cl)Cl"	"InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)"	"YYQRGCZGSFRBAM-UHFFFAOYSA-N"	"[Na+]"
"1503"	"23255-93-8"	"Hycanthone methanesulfonate"	"DTXSID4025408"	"CCN(CCNC1C=CC(CO)=C2SC3C=CC=CC=3C(=O)C=12)CC"	"InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3"	"MFZWMTSUNYWVBU-UHFFFAOYSA-N"	"CS(=O)([O-])=O"
"1504"	"5707-69-7"	"Drazoxolon"	"DTXSID3041908"	"CC1=NOC(=O)C1=NNC1C=CC=CC=1Cl"	"InChI=1S/C10H8ClN3O2/c1-6-9(10(15)16-14-6)13-12-8-5-3-2-4-7(8)11/h2-5,12H,1H3"	"OOTHTARUZHONSW-UHFFFAOYSA-N"	"?"
"1505"	"116-06-3"	"Aldicarb"	"DTXSID0039223"	"CNC(=O)ON=CC(C)(C)SC"	"InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)"	"QGLZXHRNAYXIBU-UHFFFAOYSA-N"	"?"
"1506"	"1690-33-1"			"CCC(OC(N)=O)C1C=CC=CC=1Cl"	"InChI=1S/C10H12ClNO2/c1-2-9(14-10(12)13)7-5-3-4-6-8(7)11/h3-6,9H,2H2,1H3,(H2,12,13)"	"VCZXDPUECVELRF-UHFFFAOYSA-N"	"?"
"1507"	"94-11-1"	"2,4-D isopropyl ester"	"DTXSID5020445"	"CC(C)OC(=O)COC1C=CC(Cl)=CC=1Cl"	"InChI=1S/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3"	"WHOKDONDRZNCBC-UHFFFAOYSA-N"	"?"
"1508"	"72245-46-6"	"Poly(propylene glycol) dibenzoate"	"DTXSID0051443"	"O=C(OCCCOC(=O)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C17H16O4/c18-16(14-8-3-1-4-9-14)20-12-7-13-21-17(19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2"	"SSEOOCRUUJYCKA-UHFFFAOYSA-N"	"?"
"1509"	"58-55-9"	"Theophylline"	"DTXSID5021336"	"CN1C(=O)C2NC=NC=2N(C)C1=O"	"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)"	"ZFXYFBGIUFBOJW-UHFFFAOYSA-N"	"?"
"1510"	"120811-92-9"	"(3-Methoxy-2-methylpropyl)benzene"	"DTXSID0051318"	"COCC(C)CC1C=CC=CC=1"	"InChI=1S/C11H16O/c1-10(9-12-2)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3"	"YRELUSXNOZNOQI-UHFFFAOYSA-N"	"?"
"1511"	"28219-61-6"	"2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol"	"DTXSID0044814"	"CC1=CCC(CC=C(CO)CC)C1(C)C"	"InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3"	"KHQDWCKZXLWDNM-UHFFFAOYSA-N"	"?"
"1512"	"13532-18-8"	"Methyl 3-(methylthio)propionate"	"DTXSID0047402"	"COC(=O)CCSC"	"InChI=1S/C5H10O2S/c1-7-5(6)3-4-8-2/h3-4H2,1-2H3"	"DMMJVMYCBULSIS-UHFFFAOYSA-N"	"?"
"1513"	"2665-13-6"	"2,2'-(1-Methyltrimethylenedioxy)bis(4-methyl-1,3,2-dioxaborinane)"	"DTXSID0032528"	"CC(CCOB1OC(C)CCO1)OB1OC(C)CCO1"	"InChI=1S/C12H24B2O6/c1-10-4-7-15-13(18-10)16-8-5-11(2)19-14-17-9-6-12(3)20-14/h10-12H,4-9H2,1-3H3"	"RCIYLEACODIIKU-UHFFFAOYSA-N"	"?"
"1514"	"50-76-0"	"Actinomycin D"	"DTXSID9020031"	"CC1C=CC(=C2N=C3C(=C(N)C(=O)C(C)=C3OC=12)C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(NC1=O)C(C)C)C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(NC1=O)C(C)C"	"InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)"	"RJURFGZVJUQBHK-UHFFFAOYSA-N"	"?"
"1515"	"2050-43-3"	"N-(2,4-Dimethylphenyl)acetamide"	"DTXSID0044868"	"CC1C=C(C)C(=CC=1)NC(C)=O"	"InChI=1S/C10H13NO/c1-7-4-5-10(8(2)6-7)11-9(3)12/h4-6H,1-3H3,(H,11,12)"	"PJEIIBXJUDOMAN-UHFFFAOYSA-N"	"?"
"1516"	"10258-54-5"	"2-Methoxyethyl cyanoacetate"	"DTXSID0038831"	"COCCOC(=O)CC#N"	"InChI=1S/C6H9NO3/c1-9-4-5-10-6(8)2-3-7/h2,4-5H2,1H3"	"SGLKIEOMYXTGBH-UHFFFAOYSA-N"	"?"
"1517"	"89-73-6"	"Salicylhydroxamic acid"	"DTXSID5075365"	"OC1C=CC=CC=1C(=O)NO"	"InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)"	"HBROZNQEVUILML-UHFFFAOYSA-N"	"?"
"1518"	"4776-06-1"	"Fluorosalan"	"DTXSID0041985"	"OC1=C(C=C(Br)C=C1Br)C(=O)NC1=CC(=CC=C1)C(F)(F)F"	"InChI=1S/C14H8Br2F3NO2/c15-8-5-10(12(21)11(16)6-8)13(22)20-9-3-1-2-7(4-9)14(17,18)19/h1-6,21H,(H,20,22)"	"VYKKDKFTDMVOBU-UHFFFAOYSA-N"	"?"
"1519"	"3759-07-7"			"CN(C)CCCN1C2=CC=CC=C2C(C)(C)C2C=CC=CC1=2"	"InChI=1S/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3"	"RYQOGSFEJBUZBX-UHFFFAOYSA-N"	"[C@@H]([C@H](C(=O)O)O)(C(=O)O)O"
"1520"	"29091-21-2"	"Prodiamine"	"DTXSID1034210"	"CCCN(CCC)C1=C(C=C(C(N)=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"InChI=1S/C13H17F3N4O4/c1-3-5-18(6-4-2)11-9(19(21)22)7-8(13(14,15)16)10(17)12(11)20(23)24/h7H,3-6,17H2,1-2H3"	"RSVPPPHXAASNOL-UHFFFAOYSA-N"	"?"
"1521"	"1585-07-5"	"1-Bromo-4-ethylbenzene"	"DTXSID0029218"	"CCC1C=CC(Br)=CC=1"	"InChI=1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3"	"URFPRAHGGBYNPW-UHFFFAOYSA-N"	"?"
"1522"	"28981-97-7"	"Alprazolam"	"DTXSID4022577"	"CC1=NN=C2CN=C(C3=CC(Cl)=CC=C3N21)C1C=CC=CC=1"	"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3"	"VREFGVBLTWBCJP-UHFFFAOYSA-N"	"?"
"1523"	"1113-14-0"	"trans-1,2-Bis(propylsulfonyl)ethylene"	"DTXSID3042479"	"CCCS(=O)(=O)C=CS(=O)(=O)CCC"	"InChI=1S/C8H16O4S2/c1-3-5-13(9,10)7-8-14(11,12)6-4-2/h7-8H,3-6H2,1-2H3"	"YTPMCWYIRHLEGM-UHFFFAOYSA-N"	"?"
"1524"	"10138-19-9"	"4-Heptyl-2,6-dimethylphenol"	"DTXSID00143880"	"CCCCCCCC1C=C(C)C(O)=C(C)C=1"	"InChI=1S/C15H24O/c1-4-5-6-7-8-9-14-10-12(2)15(16)13(3)11-14/h10-11,16H,4-9H2,1-3H3"	"ODXLPNFLMWDVLM-UHFFFAOYSA-N"	"?"
"1525"	"17256-39-2"	"2-Propanamine, 1-chloro-N,N-dimethyl-, hydrochloride (1:1)"	"DTXSID40884886"	"CC(CCl)N(C)C"	"InChI=1S/C5H12ClN/c1-5(4-6)7(2)3/h5H,4H2,1-3H3"	"ZMLUHYJUTIZTOJ-UHFFFAOYSA-N"	"Cl"
"1526"	"2058-52-8"	"Clothiapine"	"DTXSID5022851"	"CN1CCN(CC1)C1=NC2C=CC=CC=2SC2C=CC(Cl)=CC=21"	"InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3"	"KAAZGXDPUNNEFN-UHFFFAOYSA-N"	"?"
"1527"	"18181-80-1"	"Bromopropylate"	"DTXSID1034397"	"CC(C)OC(=O)C(O)(C1C=CC(Br)=CC=1)C1C=CC(Br)=CC=1"	"InChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3"	"FOANIXZHAMJWOI-UHFFFAOYSA-N"	"?"
"1528"	"68439-49-6"	"Alcohols, C16-18, ethoxylated"	"DTXSID0041939"	"CCCCCCCCCCCCCCCCCOCC"	"InChI=1S/C19H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-4-2/h3-19H2,1-2H3"	"AUZOGIIAYCMVLO-UHFFFAOYSA-N"	"?"
"1529"	"4549-40-0"	"N-Nitrosomethylvinylamine"	"DTXSID3042211"	"CN(CN=O)C=C"	"InChI=1S/C4H8N2O/c1-3-6(2)4-5-7/h3H,1,4H2,2H3"	"MFCHWYSOGVAXNC-UHFFFAOYSA-N"	"?"
"1530"	"4702-64-1"	"4,8-Diamino-1,5-dihydroxy-2-(4-methoxyphenyl)anthraquinone"	"DTXSID6052116"	"COC1C=CC(=CC=1)C1C=C(N)C2=C(C(=O)C3C(C2=O)=C(O)C=CC=3N)C=1O"	"InChI=1S/C21H16N2O5/c1-28-10-4-2-9(3-5-10)11-8-13(23)16-18(19(11)25)21(27)15-12(22)6-7-14(24)17(15)20(16)26/h2-8,24-25H,22-23H2,1H3"	"OVPZEFAFTQSEJB-UHFFFAOYSA-N"	"?"
"1531"	"1948-33-0"	"tert-Butylhydroquinone"	"DTXSID6020220"	"CC(C)(C)C1=CC(O)=CC=C1O"	"InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3"	"BGNXCDMCOKJUMV-UHFFFAOYSA-N"	"?"
"1532"	"4418-26-2"	"Sodium dehydroacetate"	"DTXSID7026029"	"CC1=CC(=O)C(C(=O)O1)=C(C)O"	"InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,9H,1-2H3"	"XFOHQPYIBGPKGL-UHFFFAOYSA-N"	"[Na+]"
"1533"	"18829-56-6"	"(E)-2-Nonenal"	"DTXSID0047086"	"CCCCCCC=CC=O"	"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3"	"BSAIUMLZVGUGKX-UHFFFAOYSA-N"	"?"
"1534"	"110-38-3"	"Ethyl decanoate"	"DTXSID0044363"	"CCCCCCCCCC(=O)OCC"	"InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3"	"RGXWDWUGBIJHDO-UHFFFAOYSA-N"	"?"
"1535"	"17756-81-9"	"Acetamide, 2-chloro-N-(2-cyanoethyl)-"	"DTXSID10170344"	"N#CCCNC(=O)CCl"	"InChI=1S/C5H7ClN2O/c6-4-5(9)8-3-1-2-7/h1,3-4H2,(H,8,9)"	"WECIKJKLCDCIMY-UHFFFAOYSA-N"	"?"
"1536"	"1679-51-2"	"Cyclohex-3-en-1-ylmethanol"	"DTXSID0044600"	"OCC1CC=CCC1"	"InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2"	"VEIYJWQZNGASMA-UHFFFAOYSA-N"	"?"
"1537"	"1121-24-0"	"Phenol, o-mercapto- (6CI,7CI,8CI)"	"DTXSID80149906"	"OC1C=CC=CC=1S"	"InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H"	"VMKYTRPNOVFCGZ-UHFFFAOYSA-N"	"?"
"1538"	"28895-91-2"	"Urea, 3-acetyl-1-methyl-1-nitroso-"	"DTXSID60183085"	"CC(=O)NC(=O)N(C)N=O"	"InChI=1S/C4H7N3O3/c1-3(8)5-4(9)7(2)6-10/h1-2H3,(H,5,8,9)"	"KCVSUTDQYYYPFT-UHFFFAOYSA-N"	"?"
"1539"	"59-87-0"	"Nitrofurazone"	"DTXSID5020944"	"NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O"	"InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)"	"IAIWVQXQOWNYOU-UHFFFAOYSA-N"	"?"
"1540"	"78-82-0"	"2-Methylpropanenitrile"	"DTXSID5026461"	"CC(C)C#N"	"InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3"	"LRDFRRGEGBBSRN-UHFFFAOYSA-N"	"?"
"1541"	"56797-40-1"	"(Z)-7-Hexadecenal"	"DTXSID0041193"	"CCCCCCCCC=CCCCCCC=O"	"InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h9-10,16H,2-8,11-15H2,1H3"	"BLJFSPZWKBTYHR-UHFFFAOYSA-N"	"?"
"1542"	"1190-53-0"			"CCCCNC(=N)NC(N)=N"	"InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)"	"XSEUMFJMFFMCIU-UHFFFAOYSA-N"	"Cl"
"1543"	"620-02-0"	"2-Furancarboxaldehyde, 5-methyl-"	"DTXSID1060714"	"CC1=CC=C(C=O)O1"	"InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3"	"OUDFNZMQXZILJD-UHFFFAOYSA-N"	"?"
"1544"	"55283-68-6"	"Ethalfluralin"	"DTXSID8032386"	"CC(=C)CN(CC)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"InChI=1S/C13H14F3N3O4/c1-4-17(7-8(2)3)12-10(18(20)21)5-9(13(14,15)16)6-11(12)19(22)23/h5-6H,2,4,7H2,1,3H3"	"PTFJIKYUEPWBMS-UHFFFAOYSA-N"	"?"
"1545"	"29512-49-0"	"Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)-"	"DTXSID0029347"	"CC1=CC2OC3C=C(C=CC=3C3(OC(=O)C4C=CC=CC3=4)C=2C=C1NC1C=CC=CC=1)N(CC)CC"	"InChI=1S/C31H28N2O3/c1-4-33(5-2)22-15-16-25-29(18-22)35-28-17-20(3)27(32-21-11-7-6-8-12-21)19-26(28)31(25)24-14-10-9-13-23(24)30(34)36-31/h6-19,32H,4-5H2,1-3H3"	"WQFYAGVHZYFXDO-UHFFFAOYSA-N"	"?"
"1546"	"5936-70-9"	"Benzamide, 3,4-diethoxy-N-(p-(2-(methylamino)ethoxy)benzyl)-"	"DTXSID40208104"	"CNCCOC1C=CC(CNC(=O)C2=CC(OCC)=C(C=C2)OCC)=CC=1"	"InChI=1S/C21H28N2O4/c1-4-25-19-11-8-17(14-20(19)26-5-2)21(24)23-15-16-6-9-18(10-7-16)27-13-12-22-3/h6-11,14,22H,4-5,12-13,15H2,1-3H3,(H,23,24)"	"IZKSBKIVEJBRSO-UHFFFAOYSA-N"	"?"
"1547"	"9004-57-3"	"Ethylcellulose"	"DTXSID0049608"	"CCOC1C(O)C(OC2OC(COCC)C(O)C(COCC)C2O)C(CO)OC1O"	"InChI=1S/C19H36O11/c1-4-25-8-10-13(21)12(9-26-5-2)29-19(14(10)22)30-16-11(7-20)28-18(24)17(15(16)23)27-6-3/h10-24H,4-9H2,1-3H3"	"GJQHNBFXPPDVQM-UHFFFAOYSA-N"	"?"
"1548"	"21452-14-2"			"CC1N=C(N)SC=1C(=O)NC1C=CC=CC=1"	"InChI=1S/C11H11N3OS/c1-7-9(16-11(12)13-7)10(15)14-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13)(H,14,15)"	"CACOMUHPQMDEJQ-UHFFFAOYSA-N"	"?"
"1549"	"472-66-2"	"2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde"	"DTXSID0047088"	"CC1CCCC(C)(C)C=1CC=O"	"InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3"	"VHTFHZGAMYUZEP-UHFFFAOYSA-N"	"?"
"1550"	"21595-58-4"	"Ethaneselenoamide"	"DTXSID3073428"	"CC(N)=[Se]"	"InChI=1S/C2H5NSe/c1-2(3)4/h1H3,(H2,3,4)"	"UIPOHYGKYQWEEA-UHFFFAOYSA-N"	"?"
"1551"	"3089-19-8"	"2-Methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]prop-2-enamide"	"DTXSID0044652"	"CC(=C)C(=O)NCCN1CCNC1=O"	"InChI=1S/C9H15N3O2/c1-7(2)8(13)10-3-5-12-6-4-11-9(12)14/h1,3-6H2,2H3,(H,10,13)(H,11,14)"	"ZHNZXPCKMAJBQQ-UHFFFAOYSA-N"	"?"
"1552"	"128-04-1"	"Sodium dimethyldithiocarbamate"	"DTXSID6027050"	"CN(C)C(S)=S"	"InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)"	"MZGNSEAPZQGJRB-UHFFFAOYSA-N"	"[Na+]"
"1553"	"1746-81-2"	"Monolinuron"	"DTXSID0037576"	"CON(C)C(=O)NC1C=CC(Cl)=CC=1"	"InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)"	"LKJPSUCKSLORMF-UHFFFAOYSA-N"	"?"
"1554"	"2674-91-1"	"Oxydeprofos"	"DTXSID4042250"	"CCS(=O)CC(C)SP(=O)(OC)OC"	"InChI=1S/C7H17O4PS2/c1-5-14(9)6-7(2)13-12(8,10-3)11-4/h7H,5-6H2,1-4H3"	"JAYZFNIOOYPIAH-UHFFFAOYSA-N"	"?"
"1555"	"76280-91-6"	"Tecloftalam"	"DTXSID7058179"	"O/C(=N\C1=CC=CC(Cl)=C1Cl)/C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C(O)=O"	"InChI=1S/C14H5Cl6NO3/c15-4-2-1-3-5(8(4)16)21-13(22)6-7(14(23)24)10(18)12(20)11(19)9(6)17/h1-3H,(H,21,22)(H,23,24)"	"ROZUQUDEWZIBHV-UHFFFAOYSA-N"	"?"
"1556"	"4197-25-5"	"Solvent Black 3"	"DTXSID0052091"	"CC1(C)NC2C=CC(N=NC3C=CC(N=NC4C=CC=CC=4)=C4C=CC=CC=34)=C3C=CC=C(N1)C=23"	"InChI=1S/C29H24N6/c1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19/h3-18,30-31H,1-2H3"	"YCUVUDODLRLVIC-UHFFFAOYSA-N"	"?"
"1557"	"51-77-4"	"Gefarnate"	"DTXSID0048636"	"CC(CCC=C(C)CCC=C(C)C)=CCCC(=O)OCC=C(C)CCC=C(C)C"	"InChI=1S/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3"	"ZPACYDRSPFRDHO-UHFFFAOYSA-N"	"?"
"1558"	"14216-25-2"	"2-Propenoic acid, 2-methyl-, 2-(ethylthio)ethyl ester"	"DTXSID4065731"	"CC(=C)C(=O)OCCSCC"	"InChI=1S/C8H14O2S/c1-4-11-6-5-10-8(9)7(2)3/h2,4-6H2,1,3H3"	"VMKYTTSJFPJNOS-UHFFFAOYSA-N"	"?"
"1559"	"13679-70-4"	"5-Methyl-2-thiophenecarboxaldehyde"	"DTXSID0047169"	"CC1=CC=C(C=O)S1"	"InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3"	"VAUMDUIUEPIGHM-UHFFFAOYSA-N"	"?"
"1560"	"3485-14-1"	"Cyclacillin"	"DTXSID9022861"	"CC1(C)SC2C(NC(=O)C3(N)CCCCC3)C(=O)N2C1C(O)=O"	"InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)"	"HGBLNBBNRORJKI-UHFFFAOYSA-N"	"?"
"1561"	"78755-81-4"	"Flumazenil"	"DTXSID2023064"	"CN1CC2=C(N=CN2C2=CC=C(F)C=C2C1=O)C(=O)OCC"	"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3"	"OFBIFZUFASYYRE-UHFFFAOYSA-N"	"?"
"1562"	"22316-71-8"			"NC1N=C2C=CC(=CC2=C(N)N=1)N(CC1C=C(Cl)C(Cl)=CC=1)N=O"	"InChI=1S/C15H12Cl2N6O/c16-11-3-1-8(5-12(11)17)7-23(22-24)9-2-4-13-10(6-9)14(18)21-15(19)20-13/h1-6H,7H2,(H4,18,19,20,21)"	"YVQXNYOBSUPZMH-UHFFFAOYSA-N"	"?"
"1563"	"4159-77-7"	"Rose bengal lactone"	"DTXSID0048426"	"OC1C(I)=C2OC3C(=CC(I)=C(O)C=3I)C3(OC(=O)C4C3=C(Cl)C(Cl)=C(Cl)C=4Cl)C2=CC=1I"	"InChI=1S/C20H4Cl4I4O5/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28/h1-2,29-30H"	"IICCLYANAQEHCI-UHFFFAOYSA-N"	"?"
"1564"	"5778-80-3"			"COC1=CC2=C(N)C3CCCCC=3N=C2C=C1"	"InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)"	"APQPVVOYBLOJDY-UHFFFAOYSA-N"	"?"
"1565"	"20820-80-8"			"CCOP(C)(=O)SCCN(C)C"	"InChI=1S/C7H18NO2PS/c1-5-10-11(4,9)12-7-6-8(2)3/h5-7H2,1-4H3"	"PKDYQTANBZBIRM-UHFFFAOYSA-N"	"?"
"1566"	"3735-92-0"	"Carbamic acid, dimethyldithio-, methyl ester"	"DTXSID40190797"	"CSC(=S)N(C)C"	"InChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3"	"NBBZMDUHKWRYSZ-UHFFFAOYSA-N"	"?"
"1567"	"18032-95-6"	"Phosphonodithioic acid, ethyl-, S,S-diethyl ester"	"DTXSID80170952"	"CCP(=O)(SCC)SCC"	"InChI=1S/C6H15OPS2/c1-4-8(7,9-5-2)10-6-3/h4-6H2,1-3H3"	"JACPDPNUDAAICS-UHFFFAOYSA-N"	"?"
"1568"	"2588-04-7"	"Phorate sulfone"	"DTXSID6042282"	"CCS(=O)(=O)CSP(=S)(OCC)OCC"	"InChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3"	"YVPSNUIHHFTTRL-UHFFFAOYSA-N"	"?"
"1569"	"55418-52-5"	"Piperonyl acetone"	"DTXSID0047161"	"CC(=O)CCC1C=CC2OCOC=2C=1"	"InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3"	"TZJLGGWGVLADDN-UHFFFAOYSA-N"	"?"
"1570"	"19480-43-4"	"MCPA-butotyl"	"DTXSID0042111"	"CC1C=C(Cl)C=CC=1OCC(=O)OCCOCCCC"	"InChI=1S/C15H21ClO4/c1-3-4-7-18-8-9-19-15(17)11-20-14-6-5-13(16)10-12(14)2/h5-6,10H,3-4,7-9,11H2,1-2H3"	"WKGKFWXGAHXMCE-UHFFFAOYSA-N"	"?"
"1571"	"142-62-1"	"Hexanoic acid"	"DTXSID7021607"	"CCCCCC(O)=O"	"InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)"	"FUZZWVXGSFPDMH-UHFFFAOYSA-N"	"?"
"1572"	"78-37-5"	"Linalyl cinnamate"	"DTXSID4047410"	"CC(C)=CCCC(C)(C=C)OC(=O)C=CC1C=CC=CC=1"	"InChI=1S/C19H24O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-14H,1,9,15H2,2-4H3"	"DPFUEXLIKDHJNB-UHFFFAOYSA-N"	"?"
"1573"	"52-51-7"	"Bronopol"	"DTXSID8024652"	"[O-][N+](=O)C(Br)(CO)CO"	"InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2"	"LVDKZNITIUWNER-UHFFFAOYSA-N"	"?"
"1574"	"130-95-0"	"Quinine"	"DTXSID0044280"	"COC1=CC=C2N=CC=C(C(O)C3CC4CCN3CC4C=C)C2=C1"	"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3"	"LOUPRKONTZGTKE-UHFFFAOYSA-N"	"?"
"1575"	"1824-81-3"	"6-Methylpyridin-2-amine"	"DTXSID0044860"	"CC1C=CC=C(N)N=1"	"InChI=1S/C6H8N2/c1-5-3-2-4-6(7)8-5/h2-4H,1H3,(H2,7,8)"	"QUXLCYFNVNNRBE-UHFFFAOYSA-N"	"?"
"1576"	"53734-79-5"	"Metralindole hydrochloride"	"DTXSID90202016"	"CN1CCN2C3C1=NCCC=3C1=CC(=CC=C21)OC"	"InChI=1S/C15H17N3O/c1-17-7-8-18-13-4-3-10(19-2)9-12(13)11-5-6-16-15(17)14(11)18/h3-4,9H,5-8H2,1-2H3"	"GVXBHSBKKJRBMS-UHFFFAOYSA-N"	"Cl"
"1577"	"55311-62-1"			"CC1=CC(C)=C(C=C1)N=CN(C)SC1C=CC(Cl)=CC=1"	"InChI=1S/C16H17ClN2S/c1-12-4-9-16(13(2)10-12)18-11-19(3)20-15-7-5-14(17)6-8-15/h4-11H,1-3H3"	"MZTDHAJDLGWQMR-UHFFFAOYSA-N"	"?"
"1578"	"18467-77-1"	"Dikegulac"	"DTXSID0047454"	"CC1(C)OC2C3OC(C)(C)OCC3OC2(O1)C(O)=O"	"InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)"	"FWCBATIDXGJRMF-UHFFFAOYSA-N"	"?"
"1579"	"113-92-8"	"Chlorpheniramine maleate"	"DTXSID4020321"	"CN(C)CCC(C1C=CC=CN=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3"	"SOYKEARSMXGVTM-UHFFFAOYSA-N"	"C(/C=C\C(=O)[O-])(=O)O"
"1580"	"112-49-2"	"Triethylene glycol dimethyl ether"	"DTXSID8026224"	"COCCOCCOCCOC"	"InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3"	"YFNKIDBQEZZDLK-UHFFFAOYSA-N"	"?"
"1581"	"3724-65-0"	"2-Butenoic acid"	"DTXSID7027544"	"CC=CC(O)=O"	"InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)"	"LDHQCZJRKDOVOX-UHFFFAOYSA-N"	"?"
"1582"	"4056-78-4"			"OC(=O)C1CC(CC1)C(O)=O"	"InChI=1S/C7H10O4/c8-6(9)4-1-2-5(3-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)"	"LNGJOYPCXLOTKL-UHFFFAOYSA-N"	"?"
"1583"	"827-95-2"	"Sodium 3-nitrobenzoate"	"DTXSID0044733"	"[O-][N+](=O)C1=CC(=CC=C1)C(O)=O"	"InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)"	"AFPHTEQTJZKQAQ-UHFFFAOYSA-N"	"[Na+]"
"1584"	"10138-60-0"			"CC=CC(O)C#C"	"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h2-3,5-7H,1H3"	"SRSOGIWDNSFTEG-UHFFFAOYSA-N"	"?"
"1585"	"1882-26-4"	"Pyricarbate"	"DTXSID5045708"	"CNC(=O)OCC1C=CC=C(COC(=O)NC)N=1"	"InChI=1S/C11H15N3O4/c1-12-10(15)17-6-8-4-3-5-9(14-8)7-18-11(16)13-2/h3-5H,6-7H2,1-2H3,(H,12,15)(H,13,16)"	"YEKQSSHBERGOJK-UHFFFAOYSA-N"	"?"
"1586"	"17526-94-2"	"3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)"	"DTXSID0044606"	"CC1=CC=C(C=C1NC(=O)N(C)C)NC(=O)N(C)C"	"InChI=1S/C13H20N4O2/c1-9-6-7-10(14-12(18)16(2)3)8-11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)"	"KDQTUCKOAOGTLT-UHFFFAOYSA-N"	"?"
"1587"	"42922-74-7"	"Sucrose octanoate"	"DTXSID0035952"	"CCCCCCCC(=O)OC1C(CO)OC(CO)(OC2OC(CO)C(O)C(OC(=O)CCCCCCC)C2O)C1O"	"InChI=1S/C28H50O13/c1-3-5-7-9-11-13-20(32)38-24-19(16-30)40-28(17-31,26(24)36)41-27-23(35)25(22(34)18(15-29)37-27)39-21(33)14-12-10-8-6-4-2/h18-19,22-27,29-31,34-36H,3-17H2,1-2H3"	"SMBYVSHXHQFQEF-UHFFFAOYSA-N"	"?"
"1588"	"18664-94-3"	"Propanenitrile, 3,3'-(1,4-butanediylbis(oxy))bis-"	"DTXSID60171927"	"N#CCCOCCCCOCCC#N"	"InChI=1S/C10H16N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-4,7-10H2"	"RCRNVWKZQROUJM-UHFFFAOYSA-N"	"?"
"1589"	"123-05-7"	"2-Ethylhexanal"	"DTXSID9025291"	"CCCCC(CC)C=O"	"InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3"	"LGYNIFWIKSEESD-UHFFFAOYSA-N"	"?"
"1590"	"50539-67-8"	"Carbamic acid, methyl((4-methylphenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"DTXSID50198547"	"CC1C=CC(=CC=1)SN(C)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"InChI=1S/C19H21NO3S/c1-13-8-10-15(11-9-13)24-20(4)18(21)22-16-7-5-6-14-12-19(2,3)23-17(14)16/h5-11H,12H2,1-4H3"	"TWFYTVQCMTWBHO-UHFFFAOYSA-N"	"?"
"1591"	"288-13-1"	"Pyrazole"	"DTXSID2059774"	"C1=CC=NN1"	"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)"	"WTKZEGDFNFYCGP-UHFFFAOYSA-N"	"?"
"1592"	"20917-49-1"	"Nitrosoheptamethyleneimine"	"DTXSID1021039"	"O=NN1CCCCCCC1"	"InChI=1S/C7H14N2O/c10-8-9-6-4-2-1-3-5-7-9/h1-7H2"	"RCFKQVLHWYOSFF-UHFFFAOYSA-N"	"?"
"1593"	"21835-01-8"	"3-Ethyl-2-hydroxy-2-cyclopenten-1-one"	"DTXSID0044232"	"CCC1CCC(=O)C1=O"	"InChI=1S/C7H10O2/c1-2-5-3-4-6(8)7(5)9/h5H,2-4H2,1H3"	"RRVYBPVLSILURP-UHFFFAOYSA-N"	"?"
"1594"	"74833-39-9"			"CC12C(O)C(O)C(OC3C=C(C)C(O)CC13COC(C)=O)C12CO1"	"InChI=1S/C17H24O7/c1-8-4-11-16(5-10(8)19,6-22-9(2)18)15(3)13(21)12(20)14(24-11)17(15)7-23-17/h4,10-14,19-21H,5-7H2,1-3H3"	"FCLYQYOJLQDQNA-UHFFFAOYSA-N"	"?"
"1595"	"131-15-7"	"Bis(1-methylheptyl) phthalate"	"DTXSID0051655"	"CC(CCCCCC)OC(=O)C1=CC=CC=C1C(=O)OC(C)CCCCCC"	"InChI=1S/C24H38O4/c1-5-7-9-11-15-19(3)27-23(25)21-17-13-14-18-22(21)24(26)28-20(4)16-12-10-8-6-2/h13-14,17-20H,5-12,15-16H2,1-4H3"	"RLRMXWDXPLINPJ-UHFFFAOYSA-N"	"?"
"1596"	"2503-73-3"	"C.I. Direct Blue 78, tetrasodium salt"	"DTXSID0041725"	"OC1C(=CC2=CC=C(C=C2C=1N=NC1=CC=C(N=NC2=CC=C(N=NC3=CC(=CC=C3S(O)(=O)=O)S(O)(=O)=O)C3=CC=C(C=C23)S(O)(=O)=O)C2=CC=CC=C21)NC1C=CC=CC=1)S(O)(=O)=O"	"InChI=1S/C42H29N7O13S4/c50-42-40(66(60,61)62)20-24-10-11-26(43-25-6-2-1-3-7-25)21-32(24)41(42)49-47-35-16-15-34(29-8-4-5-9-30(29)35)44-46-37-18-17-36(31-14-12-27(22-33(31)37)63(51,52)53)45-48-38-23-28(64(54,55)56)13-19-39(38)65(57,58)59/h1-23,43,50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)"	"OTVGHDXNYKTBTK-UHFFFAOYSA-N"	"[Na+].[Na+].[Na+]"
"1597"	"6891-44-7"	"Ethanaminium, N,N,N-trimethyl-2-[(2-methyl-1-oxo-2-propenyl)oxy]-, methyl sulfate"	"DTXSID0040258"	"CC(=C)C(=O)OCC[N+](C)(C)C"	"InChI=1S/C9H18NO2/c1-8(2)9(11)12-7-6-10(3,4)5/h1,6-7H2,2-5H3/q+1"	"USFMMZYROHDWPJ-UHFFFAOYSA-N"	"S(=O)(=O)(OC)[O-]"
"1598"	"1300-94-3"	"Amylmetacresol"	"DTXSID8046791"	"CC1C=C(O)C(CCCCC)=CC=1"	"InChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3"	"CKGWFZQGEQJZIL-UHFFFAOYSA-N"	"?"
"1599"	"64-65-3"	"Bemegride"	"DTXSID0045250"	"CCC1(C)CC(=O)NC(=O)C1"	"InChI=1S/C8H13NO2/c1-3-8(2)4-6(10)9-7(11)5-8/h3-5H2,1-2H3,(H,9,10,11)"	"ORRZGUBHBVWWOP-UHFFFAOYSA-N"	"?"
"1600"	"27464-23-9"	"Oxdralazine dihydrochloride"	"DTXSID60181884"	"NNC1C=CC(=NN=1)N(CCO)CCO"	"InChI=1S/C8H15N5O2/c9-10-7-1-2-8(12-11-7)13(3-5-14)4-6-15/h1-2,14-15H,3-6,9H2,(H,10,11)"	"POFDNYKJHWKGDU-UHFFFAOYSA-N"	"Cl.Cl"
"1601"	"1982-69-0"	"Sodium dicamba"	"DTXSID8027450"	"COC1=C(C(O)=O)C(Cl)=CC=C1Cl"	"InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)"	"IWEDIXLBFLAXBO-UHFFFAOYSA-N"	"[Na+]"
"1602"	"142-58-5"	"Tetradecanamide, N-(2-hydroxyethyl)-"	"DTXSID0042452"	"CCCCCCCCCCCCCC(=O)NCCO"	"InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18/h18H,2-15H2,1H3,(H,17,19)"	"JHIXEZNTXMFXEK-UHFFFAOYSA-N"	"?"
"1603"	"104-09-6"	"(4-Methylphenyl)acetaldehyde"	"DTXSID0051524"	"CC1=CC=C(CC=O)C=C1"	"InChI=1S/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3"	"CIXAYNMKFFQEFU-UHFFFAOYSA-N"	"?"
"1604"	"93-71-0"	"Allidochlor"	"DTXSID2041591"	"C=CCN(CC=C)C(=O)CCl"	"InChI=1S/C8H12ClNO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2"	"MDBGGTQNNUOQRC-UHFFFAOYSA-N"	"?"
"1605"	"58430-94-7"	"3,5,5-Trimethylhexyl acetate"	"DTXSID0041270"	"CC(CC(C)(C)C)CCOC(C)=O"	"InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3"	"DGKXDLCVQSQVBC-UHFFFAOYSA-N"	"?"
"1606"	"141-18-4"	"Bis(2-butoxyethyl) adipate"	"DTXSID2051712"	"CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC"	"InChI=1S/C18H34O6/c1-3-5-11-21-13-15-23-17(19)9-7-8-10-18(20)24-16-14-22-12-6-4-2/h3-16H2,1-2H3"	"IHTSDBYPAZEUOP-UHFFFAOYSA-N"	"?"
"1607"	"1079-01-2"	"Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, 2-acetate, (1S,5R)-"	"DTXSID70889329"	"CC(=O)OCC1=CCC2CC1C2(C)C"	"InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3"	"BKATZVAUANSCKN-UHFFFAOYSA-N"	"?"
"1608"	"60-12-8"	"2-Phenylethanol"	"DTXSID9026342"	"OCCC1C=CC=CC=1"	"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2"	"WRMNZCZEMHIOCP-UHFFFAOYSA-N"	"?"
"1609"	"1929-73-3"	"2,4-D-Butotyl"	"DTXSID1032309"	"CCCCOCCOC(=O)COC1C=CC(Cl)=CC=1Cl"	"InChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3"	"ZMWGIGHRZQTQRE-UHFFFAOYSA-N"	"?"
"1610"	"1432-14-0"	"MCPP, diethanoline salt"	"DTXSID4058310"	"CC1C=C(Cl)C=CC=1OC(C)C(O)=O"	"InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)"	"WNTGYJSOUMFZEP-UHFFFAOYSA-N"	"N(CCO)CCO"
"1611"	"580-48-3"	"Chlorazine"	"DTXSID6041765"	"CCN(CC)C1N=C(Cl)N=C(N=1)N(CC)CC"	"InChI=1S/C11H20ClN5/c1-5-16(6-2)10-13-9(12)14-11(15-10)17(7-3)8-4/h5-8H2,1-4H3"	"QHXDTLYEHWXDSO-UHFFFAOYSA-N"	"?"
"1612"	"6152-33-6"	"Sodium 2-phenylphenate tetrahydrate"	"DTXSID1040794"	"OC1=CC=CC=C1C1C=CC=CC=1"	"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H"	"LLEMOWNGBBNAJR-UHFFFAOYSA-N"	"[Na+].O.O.O"
"1613"	"80-04-6"	"4,4'-Propane-2,2-diyldicyclohexanol"	"DTXSID0044993"	"CC(C)(C1CCC(O)CC1)C1CCC(O)CC1"	"InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3"	"CDBAMNGURPMUTG-UHFFFAOYSA-N"	"?"
"1614"	"144980-77-8"			"O=C1C2C=CC=CC=2S(=O)(=O)N1CCCCNCC1CCC2C=CC=CC=2O1"	"InChI=1S/C21H24N2O4S/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17/h1-4,7-10,17,22H,5-6,11-15H2"	"YGYBFMRFXNDIPO-UHFFFAOYSA-N"	"Cl"
"1615"	"6227-14-1"	"C.I. Direct Violet 9, disodium salt"	"DTXSID0041727"	"CC1C=C(N=NC2C(=CC3=CC(=CC=C3C=2O)NC2C=CC=CC=2)S(O)(=O)=O)C(=CC=1N=NC1C=CC(=CC=1)S(O)(=O)=O)OC"	"InChI=1S/C30H25N5O8S2/c1-18-14-26(27(43-2)17-25(18)33-32-21-8-11-23(12-9-21)44(37,38)39)34-35-29-28(45(40,41)42)16-19-15-22(10-13-24(19)30(29)36)31-20-6-4-3-5-7-20/h3-17,31,36H,1-2H3,(H,37,38,39)(H,40,41,42)"	"POHJIWSCJNKSOQ-UHFFFAOYSA-N"	"[Na+].[Na+]"
"1616"	"181258-87-7"	"cis-1-Ethoxy-4-(2-methylbutan-2-yl)cyclohexane"	"DTXSID0051811"	"CC(C)(CC)C1CCC(CC1)OCC"	"InChI=1S/C13H26O/c1-5-13(3,4)11-7-9-12(10-8-11)14-6-2/h11-12H,5-10H2,1-4H3"	"KDPSHFVSTJYAJQ-UHFFFAOYSA-N"	"?"
"1617"	"68515-40-2"	"1,2-Benzenedicarboxylic acid, benzyl C7-9-branched and linear alkyl esters"	"DTXSID0028660"	"CCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCC1C=CC=CC=1"	"InChI=1S/C23H28O4/c1-2-3-4-5-6-12-17-26-22(24)20-15-10-11-16-21(20)23(25)27-18-19-13-8-7-9-14-19/h7-11,13-16H,2-6,12,17-18H2,1H3"	"WHHSHXMIKFVAEK-UHFFFAOYSA-N"	"?"
"1618"	"62637-93-8"	"Trimethylamine oxide dihydrate"	"DTXSID00211694"	"C[N+](C)(C)[O-]"	"InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3"	"UYPYRKYUKCHHIB-UHFFFAOYSA-N"	"O.O"
"1619"	"28768-32-3"	"4,4'-Methylenebis(N,N-diglycidylaniline)"	"DTXSID0042248"	"C(C1C=CC(=CC=1)N(CC1CO1)CC1CO1)C1C=CC(=CC=1)N(CC1CO1)CC1CO1"	"InChI=1S/C25H30N2O4/c1-5-20(26(10-22-14-28-22)11-23-15-29-23)6-2-18(1)9-19-3-7-21(8-4-19)27(12-24-16-30-24)13-25-17-31-25/h1-8,22-25H,9-17H2"	"FAUAZXVRLVIARB-UHFFFAOYSA-N"	"?"
"1620"	"27776-21-2"	"2,2'-(diazene-1,2-diyldiethane-1,1-diyl)bis-4,5-dihydro-1H-imidazole dihydrochloride"	"DTXSID0049444"	"CC(N=NC(C)C1NCCN=1)C1NCCN=1"	"InChI=1S/C10H18N6/c1-7(9-11-3-4-12-9)15-16-8(2)10-13-5-6-14-10/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)"	"CKEBABWMNHFRKR-UHFFFAOYSA-N"	"Cl.Cl"
"1621"	"2431-50-7"	"2,3,4-Trichloro-1-butene"	"DTXSID6027474"	"C=C(Cl)C(Cl)CCl"	"InChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h4H,1-2H2"	"WZUZDBPJFHQVJC-UHFFFAOYSA-N"	"?"
"1622"	"6359-90-6"	"C.I. Acid Yellow 34, monosodium salt"	"DTXSID0041646"	"CC1=NN(C2C=C(C=CC=2Cl)S(O)(=O)=O)C(=O)C1N=NC1C=CC=CC=1"	"InChI=1S/C16H13ClN4O4S/c1-10-15(19-18-11-5-3-2-4-6-11)16(22)21(20-10)14-9-12(26(23,24)25)7-8-13(14)17/h2-9,15H,1H3,(H,23,24,25)"	"QDTMJKXRTWLGGY-UHFFFAOYSA-N"	"[Na+]"
"1623"	"14052-79-0"	"2-Furaldehyde, 5-nitro-, 4,4-dimethyl-3-thiosemicarbazone"	"DTXSID80161426"	"CN(C)C(=S)NN=CC1=CC=C(O1)[N+]([O-])=O"	"InChI=1S/C8H10N4O3S/c1-11(2)8(16)10-9-5-6-3-4-7(15-6)12(13)14/h3-5H,1-2H3,(H,10,16)"	"CWSFSUPASHHZKE-UHFFFAOYSA-N"	"?"
"1624"	"67578-42-1"			"CC(C(O)=O)C1=CC2=C(C=C1)OC1C=CC=CC=1CC2=O"	"InChI=1S/C17H14O4/c1-10(17(19)20)11-6-7-16-13(8-11)14(18)9-12-4-2-3-5-15(12)21-16/h2-8,10H,9H2,1H3,(H,19,20)"	"HHMVMSNPBYGGOD-UHFFFAOYSA-N"	"?"
"1625"	"105-86-2"	"(2E)-3,7-Dimethylocta-2,6-dien-1-yl formate"	"DTXSID0047614"	"CC(C)=CCCC(C)=CCOC=O"	"InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3"	"FQMZVFJYMPNUCT-UHFFFAOYSA-N"	"?"
"1626"	"1195-16-0"	"Citiolone"	"DTXSID0045888"	"CC(=O)NC1CCSC1=O"	"InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)"	"NRFJZTXWLKPZAV-UHFFFAOYSA-N"	"?"
"1627"	"540-07-8"	"Pentyl hexanoate"	"DTXSID0047581"	"CCCCCOC(=O)CCCCC"	"InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3"	"WRFZKAGPPQGDDQ-UHFFFAOYSA-N"	"?"
"1628"	"62-56-6"	"Thiourea"	"DTXSID9021348"	"NC(N)=S"	"InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)"	"UMGDCJDMYOKAJW-UHFFFAOYSA-N"	"?"
"1629"	"18530-56-8"	"Norea"	"DTXSID6040292"	"CN(C)C(=O)NC1CC2CC1C1CCCC21"	"InChI=1S/C13H22N2O/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)"	"YGLMVCVJLXREAK-UHFFFAOYSA-N"	"?"
"1630"	"505-60-2"	"Bis-(2-chloroethyl)sulfide"	"DTXSID0037100"	"ClCCSCCCl"	"InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2"	"QKSKPIVNLNLAAV-UHFFFAOYSA-N"	"?"
"1631"	"2785-89-9"	"4-Ethyl-2-methoxyphenol"	"DTXSID0047038"	"CCC1=CC(OC)=C(O)C=C1"	"InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3"	"CHWNEIVBYREQRF-UHFFFAOYSA-N"	"?"
"1632"	"143-07-7"	"Dodecanoic acid"	"DTXSID5021590"	"CCCCCCCCCCCC(O)=O"	"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)"	"POULHZVOKOAJMA-UHFFFAOYSA-N"	"?"
"1633"	"16339-01-8"			"CN(N=O)C1C=CC(=CC=1)N=NC1C=CC=CC=1"	"InChI=1S/C13H12N4O/c1-17(16-18)13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3"	"YKCOXSGBLMSJLH-UHFFFAOYSA-N"	"?"
"1634"	"100-41-4"	"Ethylbenzene"	"DTXSID3020596"	"CCC1C=CC=CC=1"	"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3"	"YNQLUTRBYVCPMQ-UHFFFAOYSA-N"	"?"
"1635"	"55635-13-7"	"Alloxydim-sodium"	"DTXSID9047041"	"COC(=O)C1=C(O)C(=C(CCC)NOCC=C)C(=O)CC1(C)C"	"InChI=1S/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,18,20H,2,6,8-10H2,1,3-5H3"	"OSKVCTBASLBKQC-UHFFFAOYSA-N"	"[Na+]"
"1636"	"33228-44-3"	"4-Pentylaniline"	"DTXSID0040707"	"CCCCCC1C=CC(N)=CC=1"	"InChI=1S/C11H17N/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5,12H2,1H3"	"DGFTWBUZRHAHTH-UHFFFAOYSA-N"	"?"
"1637"	"12217-48-0"	"C.I. Basic Red 14 chloride"	"DTXSID0041723"	"CN(CCC#N)C1C=CC(/C=C/C2=[N+](C)C3=CC=CC=C3C2(C)C)=CC=1"	"InChI=1S/C23H26N3/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24/h5-6,8-15H,7,17H2,1-4H3/q+1"	"JUTWSMKHSDVLSS-UHFFFAOYSA-N"	"[Cl-]"
"1638"	"236391-76-7"	"Acetic acid, 2-(1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester"	"DTXSID0051360"	"CC(OC(=O)COC(=O)CC)C1CC(C)(C)CCC1"	"InChI=1S/C15H26O4/c1-5-13(16)18-10-14(17)19-11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3"	"PDUFSBFWOJELLV-UHFFFAOYSA-N"	"?"
"1639"	"16915-70-1"	"Nifursol"	"DTXSID0046226"	"[O-][N+](=O)C1=CC=C(CN=NC(=O)C2C=C(C=C(C=2O)[N+]([O-])=O)[N+]([O-])=O)O1"	"InChI=1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-4,18H,5H2"	"WHIFUNRHJODLNG-UHFFFAOYSA-N"	"?"
"1640"	"1146-99-2"	"Clorindione"	"DTXSID0046228"	"O=C1C(C2C=CC(Cl)=CC=2)C(=O)C2C=CC=CC1=2"	"InChI=1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H"	"NJDUWAXIURWWLN-UHFFFAOYSA-N"	"?"
"1641"	"33213-28-4"			"CC(C)NCC(O)COC(C)C1C=CC=CC=1"	"InChI=1S/C14H23NO2/c1-11(2)15-9-14(16)10-17-12(3)13-7-5-4-6-8-13/h4-8,11-12,14-16H,9-10H2,1-3H3"	"MBNNABIVZGFXAG-UHFFFAOYSA-N"	"C(=O)(C(=O)O)O"
"1642"	"104-47-2"	"4-Methoxyphenylacetonitrile"	"DTXSID0051526"	"COC1C=CC(CC#N)=CC=1"	"InChI=1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3"	"PACGLQCRGWFBJH-UHFFFAOYSA-N"	"?"
"1643"	"90-20-0"	"4-Amino-5-hydroxynaphthalene-2,7-disulfonic acid"	"DTXSID0046981"	"NC1=CC(=CC2C=C(C=C(O)C=21)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C10H9NO7S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)"	"APRRQJCCBSJQOQ-UHFFFAOYSA-N"	"?"
"1644"	"24295-03-2"	"2-Acetylthiazole"	"DTXSID0030162"	"CC(=O)C1=NC=CS1"	"InChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3"	"MOMFXATYAINJML-UHFFFAOYSA-N"	"?"
"1645"	"15911-16-7"	"Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-"	"DTXSID30166587"	"CC1ON=C2C(=O)NN=C(C)C=12"	"InChI=1S/C7H7N3O2/c1-3-5-4(2)12-10-6(5)7(11)9-8-3/h1-2H3,(H,9,11)"	"DINKYECDKUZHJM-UHFFFAOYSA-N"	"?"
"1646"	"114-49-8"	"Scopolamine hydrobromide"	"DTXSID0032029"	"CN1C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1"	"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3"	"STECJAGHUSJQJN-UHFFFAOYSA-N"	"Br"
"1647"	"3338-24-7"	"Phosphorodithioic acid, O,O-diethyl ester, sodium salt"	"DTXSID8027535"	"CCOP(S)(=S)OCC"	"InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)"	"IRDLUHRVLVEUHA-UHFFFAOYSA-N"	"[Na+]"
"1648"	"28808-62-0"			"CC1CCCC2(C)C(OC(=O)C2=1)C1C=COC=1"	"InChI=1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3"	"XYYAFLHHHZVPRN-UHFFFAOYSA-N"	"?"
"1649"	"17292-62-5"	"Sodium cyanamide"	"DTXSID9051791"	"NC#N"	"InChI=1S/CH2N2/c2-1-3/h2H2"	"XZMCDFZZKTWFGF-UHFFFAOYSA-N"	"[Na+]"
"1650"	"25006-32-0"			"COP(=O)(OC1C=C(Cl)C(Br)=CC=1Cl)C1C=CC=CC=1"	"InChI=1S/C13H10BrCl2O3P/c1-18-20(17,9-5-3-2-4-6-9)19-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3"	"MAKUYRKZFGSMMG-UHFFFAOYSA-N"	"?"
"1651"	"4130-42-1"	"2,6-Di-tert-butyl-4-ethylphenol"	"DTXSID0029262"	"CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C"	"InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3"	"BVUXDWXKPROUDO-UHFFFAOYSA-N"	"?"
"1652"	"3333-52-6"	"Tetramethylsuccinonitrile"	"DTXSID0026125"	"CC(C)(C#N)C(C)(C)C#N"	"InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3"	"ZVQXQPNJHRNGID-UHFFFAOYSA-N"	"?"
"1653"	"77-71-4"	"5,5-Dimethylhydantoin"	"DTXSID5021754"	"CC1(C)NC(=O)NC1=O"	"InChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)"	"YIROYDNZEPTFOL-UHFFFAOYSA-N"	"?"
"1654"	"2990-22-9"	"1-Propanol, 3,3'-(benzylimino)di-, dimethanesulfonate (ester), hydrochloride"	"DTXSID00184016"	"CS(=O)(=O)OCCCN(CC1C=CC=CC=1)CCCOS(C)(=O)=O"	"InChI=1S/C15H25NO6S2/c1-23(17,18)21-12-6-10-16(11-7-13-22-24(2,19)20)14-15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-14H2,1-2H3"	"HXBBIXGEGBTYNK-UHFFFAOYSA-N"	"Cl"
"1655"	"20241-03-6"	"1-(3-TOLYL)-3,3-DIMETHYLTRIAZENE"	"DTXSID80879559"	"CC1C=CC=C(C=1)N=NN(C)C"	"InChI=1S/C9H13N3/c1-8-5-4-6-9(7-8)10-11-12(2)3/h4-7H,1-3H3"	"FQSKSHNJOFUZJJ-UHFFFAOYSA-N"	"?"
"1656"	"4228-91-5"	"Benzimidazole, 4-chloro-6-nitro-2-(trifluoromethyl)-"	"DTXSID60195108"	"[O-][N+](=O)C1C=C2NC(=NC2=C(Cl)C=1)C(F)(F)F"	"InChI=1S/C8H3ClF3N3O2/c9-4-1-3(15(16)17)2-5-6(4)14-7(13-5)8(10,11)12/h1-2H,(H,13,14)"	"HNDQGIJHWSTKDW-UHFFFAOYSA-N"	"?"
"1657"	"51352-87-5"			"COC(=O)C1C=C(CCN(C)CC2C=CC=CC=2)C=CC=1"	"InChI=1S/C18H21NO2/c1-19(14-16-7-4-3-5-8-16)12-11-15-9-6-10-17(13-15)18(20)21-2/h3-10,13H,11-12,14H2,1-2H3"	"IGJQEMHBYKNIQR-UHFFFAOYSA-N"	"Cl"
"1658"	"112-60-7"	"Tetraethylene glycol"	"DTXSID9026922"	"OCCOCCOCCOCCO"	"InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2"	"UWHCKJMYHZGTIT-UHFFFAOYSA-N"	"?"
"1659"	"101-96-2"	"N,N'-Bis(1-methylpropyl)-1,4-benzenediamine"	"DTXSID7024956"	"CC(CC)NC1C=CC(=CC=1)NC(C)CC"	"InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3"	"FSWDLYNGJBGFJH-UHFFFAOYSA-N"	"?"
"1660"	"53404-31-2"	"Dichlorprop butoxyethyl ester"	"DTXSID0041858"	"CCCCOCCOC(=O)C(C)OC1C=CC(Cl)=CC=1Cl"	"InChI=1S/C15H20Cl2O4/c1-3-4-7-19-8-9-20-15(18)11(2)21-14-6-5-12(16)10-13(14)17/h5-6,10-11H,3-4,7-9H2,1-2H3"	"NCMJQZVNCFTQPG-UHFFFAOYSA-N"	"?"
"1661"	"52963-62-9"			"COC1C=CC(=CC=1F)C(OC1C=CC=CC=1)C1NCCCN=1"	"InChI=1S/C18H19FN2O2/c1-22-16-9-8-13(12-15(16)19)17(18-20-10-5-11-21-18)23-14-6-3-2-4-7-14/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,20,21)"	"RPGDLEXGKWFLOV-UHFFFAOYSA-N"	"?"
"1662"	"49803-32-9"	"1,3-Indandione, 2-(1-(1-methylethyl)-4(1H)-pyridinylidene)-"	"DTXSID10198083"	"CC(C)N1C=CC(C=C1)=C1C(=O)C2C=CC=CC=2C1=O"	"InChI=1S/C17H15NO2/c1-11(2)18-9-7-12(8-10-18)15-16(19)13-5-3-4-6-14(13)17(15)20/h3-11H,1-2H3"	"BARWNEXAEKNALP-UHFFFAOYSA-N"	"?"
"1663"	"2231-57-4"	"Thiocarbazide"	"DTXSID7027461"	"NNC(=S)NN"	"InChI=1S/CH6N4S/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)"	"LJTFFORYSFGNCT-UHFFFAOYSA-N"	"?"
"1664"	"128-42-7"	"4,4'-Dinitro-2,2'-stilbenesulfonic acid"	"DTXSID7047019"	"[O-][N+](=O)C1=CC(=C(C=C1)C=CC1=CC=C(C=C1S(O)(=O)=O)[N+]([O-])=O)S(O)(=O)=O"	"InChI=1S/C14H10N2O10S2/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26/h1-8H,(H,21,22,23)(H,24,25,26)"	"UETHPMGVZHBAFB-UHFFFAOYSA-N"	"?"
"1665"	"35153-18-5"	"(E)-11-Tetradecen-1-ol"	"DTXSID0035293"	"CCC=CCCCCCCCCCCO"	"InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,15H,2,5-14H2,1H3"	"YGHAIPJLMYTNAI-UHFFFAOYSA-N"	"?"
"1666"	"130-37-0"	"Menadione sodium bisulfite"	"DTXSID0040547"	"CC1(CC(=O)C2=CC=CC=C2C1=O)S(O)(=O)=O"	"InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)"	"WIXFIQKTHUVFDI-UHFFFAOYSA-N"	"[Na+]"
"1667"	"18263-25-7"	"2-Bromohexadecanoic acid"	"DTXSID0037734"	"CCCCCCCCCCCCCCC(Br)C(O)=O"	"InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)"	"DPRAYRYQQAXQPE-UHFFFAOYSA-N"	"?"
"1668"	"621-23-8"	"1,3,5-Trimethoxybenzene"	"DTXSID0045963"	"COC1C=C(C=C(C=1)OC)OC"	"InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3"	"LKUDPHPHKOZXCD-UHFFFAOYSA-N"	"?"
"1669"	"32808-52-9"	"Bucloxic acid sodium"	"DTXSID20186476"	"OC(=O)CCC(=O)C1=CC=C(C2CCCCC2)C(Cl)=C1"	"InChI=1S/C16H19ClO3/c17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)"	"IJTPQQVCKPZIMV-UHFFFAOYSA-N"	"[Na+]"
"1670"	"28940-11-6"	"7-Methyl-2H-1,5-benzodioxepin-3(4H)-one"	"DTXSID0047165"	"CC1C=C2OCC(=O)COC2=CC=1"	"InChI=1S/C10H10O3/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4H,5-6H2,1H3"	"SWUIQEBPZIHZQS-UHFFFAOYSA-N"	"?"
"1671"	"50776-39-1"	"Tinofedrine hydrochloride"	"DTXSID30198808"	"CC(NCC=C(C1=CSC=C1)C1=CSC=C1)C(O)C1C=CC=CC=1"	"InChI=1S/C20H21NOS2/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18/h2-9,11-15,20-22H,10H2,1H3"	"JQSHEDRVRBSFCZ-UHFFFAOYSA-N"	"Cl"
"1672"	"77693-03-9"			"CC1C=CC2SC3=CC=C(C=C3C(=O)CC=2C=1)C(C)C(O)=O"	"InChI=1S/C18H16O3S/c1-10-3-5-16-13(7-10)9-15(19)14-8-12(11(2)18(20)21)4-6-17(14)22-16/h3-8,11H,9H2,1-2H3,(H,20,21)"	"HPAFMJRQXOLETH-UHFFFAOYSA-N"	"?"
"1673"	"3040-44-6"	"1-Piperidineethanol"	"DTXSID4062808"	"OCCN1CCCCC1"	"InChI=1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2"	"KZTWONRVIPPDKH-UHFFFAOYSA-N"	"?"
"1674"	"66232-27-7"	"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, dodecyl ester"	"DTXSID30216430"	"CCCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl"	"InChI=1S/C24H39Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-20-29-24(28)21-22-12-14-23(15-13-22)27(18-16-25)19-17-26/h12-15H,2-11,16-21H2,1H3"	"HEBYKHCHUCWIIH-UHFFFAOYSA-N"	"?"
"1675"	"22355-34-6"	"Benzoic acid dicyclohexylamine salt"	"DTXSID2073140"	"C1CCCCC1NC1CCCCC1"	"InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2"	"XBPCUCUWBYBCDP-UHFFFAOYSA-N"	"C(C1=CC=CC=C1)(=O)O"
"1676"	"22316-47-8"	"Clobazam"	"DTXSID2046759"	"CN1C2C=CC(Cl)=CC=2N(C2C=CC=CC=2)C(=O)CC1=O"	"InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3"	"CXOXHMZGEKVPMT-UHFFFAOYSA-N"	"?"
"1677"	"67874-72-0"	"2-(2-Methylbutan-2-yl)cyclohexyl acetate"	"DTXSID0044573"	"CCC(C)(C)C1CCCCC1OC(C)=O"	"InChI=1S/C13H24O2/c1-5-13(3,4)11-8-6-7-9-12(11)15-10(2)14/h11-12H,5-9H2,1-4H3"	"YEVACTAGDANHRH-UHFFFAOYSA-N"	"?"
"1678"	"2321-07-5"	"Fluorescein"	"DTXSID0038887"	"OC1=CC2OC3C=C(O)C=CC=3C3(OC(=O)C4C=CC=CC3=4)C=2C=C1"	"InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H"	"GNBHRKFJIUUOQI-UHFFFAOYSA-N"	"?"
"1679"	"65-23-6"	"Pyridoxine"	"DTXSID4023541"	"CC1N=CC(CO)=C(CO)C=1O"	"InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3"	"LXNHXLLTXMVWPM-UHFFFAOYSA-N"	"?"
"1680"	"475-03-6"	"1,2,3,4-Tetrahydro-1,1,6-trimethylnaphthalene"	"DTXSID0052120"	"CC1C=C2CCCC(C)(C)C2=CC=1"	"InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3"	"LTMQZVLXCLQPCT-UHFFFAOYSA-N"	"?"
"1681"	"623-48-3"	"Acetic acid, iodo-, ethyl ester"	"DTXSID5060770"	"CCOC(=O)CI"	"InChI=1S/C4H7IO2/c1-2-7-4(6)3-5/h2-3H2,1H3"	"MFFXVVHUKRKXCI-UHFFFAOYSA-N"	"?"
"1682"	"77-78-1"	"Dimethyl sulfate"	"DTXSID5024055"	"COS(=O)(=O)OC"	"InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3"	"VAYGXNSJCAHWJZ-UHFFFAOYSA-N"	"?"
"1683"	"25726-97-0"	"Pyrazole, 1-((trichloromethyl)thio)-"	"DTXSID00180412"	"ClC(Cl)(Cl)SN1C=CC=N1"	"InChI=1S/C4H3Cl3N2S/c5-4(6,7)10-9-3-1-2-8-9/h1-3H"	"VDRPADALJJQJTN-UHFFFAOYSA-N"	"?"
"1684"	"877-43-0"	"2,6-Dimethylquinoline"	"DTXSID0044153"	"CC1=CC2=CC=C(C)N=C2C=C1"	"InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3"	"JJPSZKIOGBRMHK-UHFFFAOYSA-N"	"?"
"1685"	"1866-43-9"	"Rolodine"	"DTXSID30171919"	"CC1N=C(NCC2C=CC=CC=2)C2C=CNC=2N=1"	"InChI=1S/C14H14N4/c1-10-17-13-12(7-8-15-13)14(18-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,15,16,17,18)"	"HPZHFGBKCGWNGN-UHFFFAOYSA-N"	"?"
"1686"	"950-10-7"	"Mephosfolan"	"DTXSID0058221"	"CC1CSC(=NP(=O)(OCC)OCC)S1"	"InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3"	"LTQSAUHRSCMPLD-UHFFFAOYSA-N"	"?"
"1687"	"22224-92-6"	"Fenamiphos"	"DTXSID3024102"	"CC1C=C(C=CC=1SC)OP(=O)(NC(C)C)OCC"	"InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)"	"ZCJPOPBZHLUFHF-UHFFFAOYSA-N"	"?"
"1688"	"118-88-7"	"5-Amino-2-methylbenzenesulfonic acid"	"DTXSID0044523"	"CC1=CC=C(N)C=C1S(O)(=O)=O"	"InChI=1S/C7H9NO3S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)"	"BRKFTWHPLMMNHF-UHFFFAOYSA-N"	"?"
"1689"	"28283-89-8"	"Sodium 2,5-dichloro-3-nitrobenzoate"	"DTXSID8042397"	"[O-][N+](=O)C1=CC(Cl)=CC(C(O)=O)=C1Cl"	"InChI=1S/C7H3Cl2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12)"	"AUAXYMOBWXOEQD-UHFFFAOYSA-N"	"[Na+]"
"1690"	"76025-08-6"	"Bis(2-chloro-1-methylethyl) 2-chloropropyl phosphate"	"DTXSID0029557"	"CC(Cl)COP(=O)(OC(C)CCl)OC(C)CCl"	"InChI=1S/C9H18Cl3O4P/c1-7(12)6-14-17(13,15-8(2)4-10)16-9(3)5-11/h7-9H,4-6H2,1-3H3"	"NISNGFDWZYZNPT-UHFFFAOYSA-N"	"?"
"1691"	"98-59-9"	"p-Toluenesulfonyl chloride"	"DTXSID1052660"	"CC1=CC=C(C=C1)S(=O)(=O)Cl"	"InChI=1S/C7H7ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3"	"YYROPELSRYBVMQ-UHFFFAOYSA-N"	"?"
"1692"	"2917-21-7"			"COP(=S)(CC)OC1C=CC(=CC=1Cl)[N+]([O-])=O"	"InChI=1S/C9H11ClNO4PS/c1-3-16(17,14-2)15-9-5-4-7(11(12)13)6-8(9)10/h4-6H,3H2,1-2H3"	"GBSHLOCYYUYGCZ-UHFFFAOYSA-N"	"?"
"1693"	"707-61-9"	"2,3-Dihydro-4-methyl-1-phenyl-1H-phosphole 1-oxide"	"DTXSID0051497"	"CC1CCP(=O)(C=1)C1C=CC=CC=1"	"InChI=1S/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3"	"YMKWWHFRGALXLE-UHFFFAOYSA-N"	"?"
"1694"	"75-31-0"	"Isopropylamine"	"DTXSID2025682"	"CC(C)N"	"InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3"	"JJWLVOIRVHMVIS-UHFFFAOYSA-N"	"?"
"1695"	"3010-24-0"	"1-Octadecanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, chloride"	"DTXSID0041276"	"CCCCCCCCCCCCCCCCCC[N+](C)(CCO)CCO"	"InChI=1S/C23H50NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(2,20-22-25)21-23-26/h25-26H,3-23H2,1-2H3/q+1"	"PNCQLRYMHQOAOR-UHFFFAOYSA-N"	"[Cl-]"
"1696"	"3077-12-1"	"2,2'-[(4-Methylphenyl)imino]diethanol"	"DTXSID0044650"	"CC1=CC=C(C=C1)N(CCO)CCO"	"InChI=1S/C11H17NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3"	"JUVSRZCUMWZBFK-UHFFFAOYSA-N"	"?"
"1697"	"36727-29-4"	"Hexanoylchloride,3,5,5-trimethyl-"	"DTXSID0049284"	"CC(CC(=O)Cl)CC(C)(C)C"	"InChI=1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3"	"GEKPNPPFAYJZRD-UHFFFAOYSA-N"	"?"
"1698"	"13047-13-7"	"4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one"	"DTXSID9044794"	"CC1(CO)CN(NC1=O)C1C=CC=CC=1"	"InChI=1S/C11H14N2O2/c1-11(8-14)7-13(12-10(11)15)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,12,15)"	"DSVIHYOAKPVFEH-UHFFFAOYSA-N"	"?"
"1699"	"89427-16-7"	"Benzimidazole, 6-bromo-4,5-dichloro-2-(trifluoromethyl)-"	"DTXSID60237678"	"FC(F)(F)C1NC2=CC(Br)=C(Cl)C(Cl)=C2N=1"	"InChI=1S/C8H2BrCl2F3N2/c9-2-1-3-6(5(11)4(2)10)16-7(15-3)8(12,13)14/h1H,(H,15,16)"	"AVFXGPGKCKKMBB-UHFFFAOYSA-N"	"?"
"1700"	"6899-10-1"	"Hexadecyltrimethylammonium"	"DTXSID3047978"	"CCCCCCCCCCCCCCCC[N+](C)(C)C"	"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1"	"RLGQACBPNDBWTB-UHFFFAOYSA-N"	"?"
"1701"	"1614-30-8"	"Urea, 1,1'-(4,4'-biphenylyene)bis(2-thio-"	"DTXSID00167142"	"NC(=S)NC1C=CC(=CC=1)C1C=CC(=CC=1)NC(N)=S"	"InChI=1S/C14H14N4S2/c15-13(19)17-11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-14(16)20/h1-8H,(H3,15,17,19)(H3,16,18,20)"	"FAOJSYHCXVRQKK-UHFFFAOYSA-N"	"?"
"1702"	"117-18-0"	"2,3,5,6-Tetrachloronitrobenzene"	"DTXSID0026098"	"[O-][N+](=O)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl"	"InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H"	"XQTLDIFVVHJORV-UHFFFAOYSA-N"	"?"
"1703"	"1680-21-3"	"Triethylene glycol diacrylate"	"DTXSID0051780"	"C=CC(=O)OCCOCCOCCOC(=O)C=C"	"InChI=1S/C12H18O6/c1-3-11(13)17-9-7-15-5-6-16-8-10-18-12(14)4-2/h3-4H,1-2,5-10H2"	"INQDDHNZXOAFFD-UHFFFAOYSA-N"	"?"
"1704"	"3658-93-3"	"1,1-Diethoxyhexane"	"DTXSID0052045"	"CCCCCC(OCC)OCC"	"InChI=1S/C10H22O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-9H2,1-3H3"	"WNHOMUCDFNTSEV-UHFFFAOYSA-N"	"?"
"1705"	"57081-56-8"	"Acetic acid, 2-(4-(4-chlorobenzyl)phenoxy)-, 3-pyridinylmethyl ester"	"DTXSID30205703"	"O=C(COC1C=CC(CC2C=CC(Cl)=CC=2)=CC=1)OCC1C=NC=CC=1"	"InChI=1S/C21H18ClNO3/c22-19-7-3-16(4-8-19)12-17-5-9-20(10-6-17)25-15-21(24)26-14-18-2-1-11-23-13-18/h1-11,13H,12,14-15H2"	"LIEKKOSECRQYGL-UHFFFAOYSA-N"	"?"
"1706"	"133-67-5"	"Trichlormethiazide"	"DTXSID7023699"	"NS(=O)(=O)C1C=C2C(=CC=1Cl)NC(NS2(=O)=O)C(Cl)Cl"	"InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)"	"LMJSLTNSBFUCMU-UHFFFAOYSA-N"	"?"
"1707"	"13286-49-2"	"Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester"	"DTXSID30157819"	"CCOP(=S)(OCC)SCC1=CC=C(C=C1)[N+]([O-])=O"	"InChI=1S/C11H16NO4PS2/c1-3-15-17(18,16-4-2)19-9-10-5-7-11(8-6-10)12(13)14/h5-8H,3-4,9H2,1-2H3"	"BTGZQLZLKSJTHK-UHFFFAOYSA-N"	"?"
"1708"	"3558-60-9"	"(2-Methoxyethyl)benzene"	"DTXSID1052032"	"COCCC1C=CC=CC=1"	"InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3"	"CQLYXIUHVFRXLT-UHFFFAOYSA-N"	"?"
"1709"	"9081-17-8"	"Poly(oxy-1,2-ethanediyl), alpha-sulfo-omega--(nonylphenoxy)-"	"DTXSID0049731"	"CCCCC(CCCC)C1C=CC(=CC=1)OCCOS(O)(=O)=O"	"InChI=1S/C17H28O5S/c1-3-5-7-15(8-6-4-2)16-9-11-17(12-10-16)21-13-14-22-23(18,19)20/h9-12,15H,3-8,13-14H2,1-2H3,(H,18,19,20)"	"WMIKODJYFGLWLQ-UHFFFAOYSA-N"	"?"
"1710"	"4121-35-1"	"Phenazine, 1,2,3,4-tetrahydro-, 5,10-dioxide"	"DTXSID40194134"	"ON1C2C=CC=CC=2[N+](=O)C2CCCCC1=2"	"InChI=1S/C12H13N2O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-2,5-6,15H,3-4,7-8H2/q+1"	"IZFRHKVMYDNDJS-UHFFFAOYSA-N"	"?"
"1711"	"13457-18-6"	"Pyrazophos"	"DTXSID7042352"	"CC1=NC2=CC(=NN2C=C1C(=O)OCC)OP(=S)(OCC)OCC"	"InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3"	"JOOMJVFZQRQWKR-UHFFFAOYSA-N"	"?"
"1712"	"6853-79-8"			"CNC(=O)OC1C=CC=CC=1C(SCC)SCC"	"InChI=1S/C13H19NO2S2/c1-4-17-12(18-5-2)10-8-6-7-9-11(10)16-13(15)14-3/h6-9,12H,4-5H2,1-3H3,(H,14,15)"	"GAAGFBCYBSDRSY-UHFFFAOYSA-N"	"?"
"1713"	"108-82-7"	"2,6-Dimethyl-4-heptanol"	"DTXSID8026802"	"CC(C)CC(O)CC(C)C"	"InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3"	"HXQPUEQDBSPXTE-UHFFFAOYSA-N"	"?"
"1714"	"2235-12-3"	"1,3,5-Hexatriene"	"DTXSID3062283"	"C=CC=CC=C"	"InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2"	"AFVDZBIIBXWASR-UHFFFAOYSA-N"	"?"
"1715"	"67968-24-5"	"Dodecyl diphenylether disulfonic acid ammonium salt"	"DTXSID0049579"	"CCCCCCC(CCCCC)C1=CC(OC2=CC=CC=C2S(O)(=O)=O)=C(C=C1)S(O)(=O)=O"	"InChI=1S/C24H34O7S2/c1-3-5-7-9-13-19(12-8-6-4-2)20-16-17-24(33(28,29)30)22(18-20)31-21-14-10-11-15-23(21)32(25,26)27/h10-11,14-19H,3-9,12-13H2,1-2H3,(H,25,26,27)(H,28,29,30)"	"UTZMJEHMSBZKJN-UHFFFAOYSA-N"	"[NH4+].[NH4+]"
"1716"	"1203-24-3"	"1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione"	"DTXSID40152794"	"O=C1C=CC(=O)N1C1C=CC=CC=1Cl"	"InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H"	"KPQOXMCRYWDRSB-UHFFFAOYSA-N"	"?"
"1717"	"642-44-4"	"Aminometradine"	"DTXSID00214403"	"CCN1C(=O)N(CC=C)C(N)=CC1=O"	"InChI=1S/C9H13N3O2/c1-3-5-12-7(10)6-8(13)11(4-2)9(12)14/h3,6H,1,4-5,10H2,2H3"	"NGXUUAFYUCOICP-UHFFFAOYSA-N"	"?"
"1718"	"68389-47-9"	"Phosphorodithioic acid, 2-ethylhexyl 2-methylpropyl ester"	"DTXSID0042290"	"CC(C)COP(=O)(S)SCC(CCCC)CC"	"InChI=1S/C12H27O2PS2/c1-5-7-8-12(6-2)10-17-15(13,16)14-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,13,16)"	"XHIANSYMJWOVLO-UHFFFAOYSA-N"	"?"
"1719"	"21755-66-8"	"Picoperine"	"DTXSID40176157"	"C(C1C=CC=CN=1)N(CCN1CCCCC1)C1C=CC=CC=1"	"InChI=1S/C19H25N3/c1-3-10-19(11-4-1)22(17-18-9-5-6-12-20-18)16-15-21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-17H2"	"MVMXJBMAGBRAHD-UHFFFAOYSA-N"	"?"
"1720"	"4412-09-3"	"5,5'-Oxybis[3,4-dichloro-2(5H)-furanone]"	"DTXSID8041533"	"O=C1OC(OC2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl"	"InChI=1S/C8H2Cl4O5/c9-1-3(11)7(15-5(1)13)17-8-4(12)2(10)6(14)16-8/h7-8H"	"PESQEUXEQYJQCC-UHFFFAOYSA-N"	"?"
"1721"	"98124-09-5"	"1H-Pyrrole-2-acetamide, N-(2-((2,5-dimethoxyphenyl)amino)-2-oxoethyl)-1-methyl-5-(4-methylbenzoyl)-"	"DTXSID30243463"	"CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)NCC(=O)NC2=CC(=CC=C2OC)OC)N1C"	"InChI=1S/C25H27N3O5/c1-16-5-7-17(8-6-16)25(31)21-11-9-18(28(21)2)13-23(29)26-15-24(30)27-20-14-19(32-3)10-12-22(20)33-4/h5-12,14H,13,15H2,1-4H3,(H,26,29)(H,27,30)"	"SXENMHWUAFRKPO-UHFFFAOYSA-N"	"?"
"1722"	"6973-01-9"	"4-Pteridinamine (9CI)"	"DTXSID20220026"	"NC1=NC=NC2N=CC=NC=21"	"InChI=1S/C6H5N5/c7-5-4-6(11-3-10-5)9-2-1-8-4/h1-3H,(H2,7,9,10,11)"	"VFATYAVSACUHHG-UHFFFAOYSA-N"	"?"
"1723"	"5240-72-2"	"2-Norbornane methanol"	"DTXSID70875762"	"OCC1CC2CC1CC2"	"InChI=1S/C8H14O/c9-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2"	"LWHKUVOYICRGGR-UHFFFAOYSA-N"	"?"
"1724"	"121-43-7"	"Trimethyl borate"	"DTXSID0037738"	"COB(OC)OC"	"InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3"	"WRECIMRULFAWHA-UHFFFAOYSA-N"	"?"
"1725"	"59-33-6"	"Pyrilamine maleate"	"DTXSID4021216"	"CN(C)CCN(CC1C=CC(=CC=1)OC)C1=CC=CC=N1"	"InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3"	"YECBIJXISLIIDS-UHFFFAOYSA-N"	"OC(=O)/C=C\C(O)=O"
"1726"	"20977-50-8"	"Carperone"	"DTXSID70175178"	"CC(C)NC(=O)OC1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1"	"InChI=1S/C19H27FN2O3/c1-14(2)21-19(24)25-17-9-12-22(13-10-17)11-3-4-18(23)15-5-7-16(20)8-6-15/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,21,24)"	"HJSFDYCHYVGVDC-UHFFFAOYSA-N"	"?"
"1727"	"97-74-5"	"Tetramethylthiuram monosulfide"	"DTXSID0021333"	"CN(C)C(=S)SC(=S)N(C)C"	"InChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3"	"REQPQFUJGGOFQL-UHFFFAOYSA-N"	"?"
"1728"	"100-72-1"			"OCC1CCCCO1"	"InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2"	"ROTONRWJLXYJBD-UHFFFAOYSA-N"	"?"
"1729"	"96567-81-6"	"2H-1-Benzopyran-2-one, 6-((dimethylamino)methyl)-7-hydroxy-4-methyl-8-(2-propenyl)-, hydrochloride"	"DTXSID20242329"	"CC1=CC(=O)OC2C1=CC(CN(C)C)=C(O)C=2CC=C"	"InChI=1S/C16H19NO3/c1-5-6-12-15(19)11(9-17(3)4)8-13-10(2)7-14(18)20-16(12)13/h5,7-8,19H,1,6,9H2,2-4H3"	"QUARHORHZVAMTC-UHFFFAOYSA-N"	"Cl"
"1730"	"935-92-2"	"2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-"	"DTXSID5061320"	"CC1C(=O)C=C(C)C(=O)C=1C"	"InChI=1S/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H3"	"QIXDHVDGPXBRRD-UHFFFAOYSA-N"	"?"
"1731"	"3337-87-9"	"Quinazoline, 4-((2-(dimethylamino)ethyl)amino)-"	"DTXSID00186994"	"CN(C)CCNC1=NC=NC2C=CC=CC=21"	"InChI=1S/C12H16N4/c1-16(2)8-7-13-12-10-5-3-4-6-11(10)14-9-15-12/h3-6,9H,7-8H2,1-2H3,(H,13,14,15)"	"YTGHVUIQNDNPCX-UHFFFAOYSA-N"	"?"
"1732"	"86-86-2"	"1-Naphthaleneacetamide"	"DTXSID3020914"	"NC(=O)CC1=CC=CC2C=CC=CC=21"	"InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)"	"XFNJVKMNNVCYEK-UHFFFAOYSA-N"	"?"
"1733"	"74-83-9"	"Methyl bromide"	"DTXSID8020832"	"CBr"	"InChI=1S/CH3Br/c1-2/h1H3"	"GZUXJHMPEANEGY-UHFFFAOYSA-N"	"?"
"1734"	"141-79-7"	"4-Methylpent-3-en-2-one"	"DTXSID1029170"	"CC(C)=CC(C)=O"	"InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3"	"SHOJXDKTYKFBRD-UHFFFAOYSA-N"	"?"
"1735"	"1300-51-2"	"Monosodium phenolsulfonate"	"DTXSID0029212"	"OC1C=CC=CC=1S(O)(=O)=O"	"InChI=1S/C6H6O4S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4,7H,(H,8,9,10)"	"IULJSGIJJZZUMF-UHFFFAOYSA-N"	"[Na+]"
"1736"	"60756-96-9"			"OCCC1CCN(CCC=C2C3=CC(=CC=C3SC3C=C(F)C=CC2=3)C(F)(F)F)CC1"	"InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2"	"CCUOZZURYIZOKX-UHFFFAOYSA-N"	"?"
"1737"	"27074-03-9"	"1,4-Dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile"	"DTXSID0051946"	"CC1CC(=O)N(C)C(=O)C=1C#N"	"InChI=1S/C8H8N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3H2,1-2H3"	"IDZOJEUXQIGYHV-UHFFFAOYSA-N"	"?"
"1738"	"99-88-7"	"Cumidine"	"DTXSID20243932"	"CC(C)C1C=CC(N)=CC=1"	"InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3"	"LRTFPLFDLJYEKT-UHFFFAOYSA-N"	"?"
"1739"	"112733-08-1"	"1(2H)-Quinazolineacetic acid, 3,4-dihydro-3-((4-bromo-2-fluorophenyl)methyl)-2,4-dioxo-7-fluoro-"	"DTXSID80150153"	"OC(=O)CN1C2C=C(F)C=CC=2C(=O)N(CC2C=CC(Br)=CC=2F)C1=O"	"InChI=1S/C17H11BrF2N2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)"	"XLOHSVVOWVIPFC-UHFFFAOYSA-N"	"?"
"1740"	"13116-53-5"	"1,2,2,3-Tetrachloropropane"	"DTXSID5051656"	"ClC(Cl)(CCl)CCl"	"InChI=1S/C3H4Cl4/c4-1-3(6,7)2-5/h1-2H2"	"UDPHJTAYHSSOQB-UHFFFAOYSA-N"	"?"
"1741"	"111-01-3"	"Squalane"	"DTXSID0046513"	"CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C"	"InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3"	"PRAKJMSDJKAYCZ-UHFFFAOYSA-N"	"?"
"1742"	"37565-83-6"			"CSP(=O)(OC)SC(C1C=CC=CC=1)C(=O)OCC"	"InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(14,15-2)18-3/h5-9,11H,4H2,1-3H3"	"OBXULSHFYPVXMT-UHFFFAOYSA-N"	"?"
"1743"	"3084-48-8"	"Trihexylphosphine oxide"	"DTXSID0051992"	"CCCCCCP(=O)(CCCCCC)CCCCCC"	"InChI=1S/C18H39OP/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3"	"PPDZLUVUQQGIOJ-UHFFFAOYSA-N"	"?"
"1744"	"36452-21-8"	"1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, sodium salt (1:2)"	"DTXSID0052041"	"O=C1NC(=O)NC(=O)N1"	"InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)"	"ZFSLODLOARCGLH-UHFFFAOYSA-N"	"[Na+].[Na+]"
"1745"	"2008-41-5"	"Butylate"	"DTXSID7023936"	"CCSC(=O)N(CC(C)C)CC(C)C"	"InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3"	"BMTAFVWTTFSTOG-UHFFFAOYSA-N"	"?"
"1746"	"590-01-2"	"Butyl propionate"	"DTXSID5027223"	"CCCCOC(=O)CC"	"InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3"	"BTMVHUNTONAYDX-UHFFFAOYSA-N"	"?"
"1747"	"66671-82-7"	"1,4-Benzenediamine, 2-methoxy-, sulfate (1:1)"	"DTXSID3070468"	"COC1=CC(N)=CC=C1N"	"InChI=1S/C7H10N2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,8-9H2,1H3"	"HGUYBLVGLMAUFF-UHFFFAOYSA-N"	"S(=O)(=O)(O)O"
"1748"	"3064-70-8"	"Bis(trichloromethyl)sulfone"	"DTXSID3032331"	"O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"	"InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8"	"YBNLWIZAWPBUKQ-UHFFFAOYSA-N"	"?"
"1749"	"831-59-4"	"Disodium benzene-1,3-disulfonate"	"DTXSID0044735"	"OS(=O)(=O)C1C=C(C=CC=1)S(O)(=O)=O"	"InChI=1S/C6H6O6S2/c7-13(8,9)5-2-1-3-6(4-5)14(10,11)12/h1-4H,(H,7,8,9)(H,10,11,12)"	"WRUAHXANJKHFIL-UHFFFAOYSA-N"	"[Na+].[Na+]"
"1750"	"85-07-4"	"2-Methyl-1-naphthaleneacetamide"	"DTXSID0041434"	"CC1C=CC2C=CC=CC=2C=1CC(N)=O"	"InChI=1S/C13H13NO/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13(14)15/h2-7H,8H2,1H3,(H2,14,15)"	"AFOVBPMGZPJPKX-UHFFFAOYSA-N"	"?"
"1751"	"94-97-3"	"5-Chlorobenzotriazole"	"DTXSID0047450"	"ClC1=CC2N=NNC=2C=C1"	"InChI=1S/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)"	"PZBQVZFITSVHAW-UHFFFAOYSA-N"	"?"
"1752"	"35160-17-9"	"2-Thiazoline, 2-(1-naphthylamino)-"	"DTXSID20188657"	"C1CSC(NC2=CC=CC3C=CC=CC=32)=N1"	"InChI=1S/C13H12N2S/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-7H,8-9H2,(H,14,15)"	"OPHJVMLHMZPRDG-UHFFFAOYSA-N"	"?"
"1753"	"62-53-3"	"Aniline"	"DTXSID8020090"	"NC1C=CC=CC=1"	"InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2"	"PAYRUJLWNCNPSJ-UHFFFAOYSA-N"	"?"
"1754"	"79611-16-8"			"CC1N=C(N=C(N)N=1)N1N=CCC1C"	"InChI=1S/C8H12N6/c1-5-3-4-10-14(5)8-12-6(2)11-7(9)13-8/h4-5H,3H2,1-2H3,(H2,9,11,12,13)"	"MIGRFARSOFSYIJ-UHFFFAOYSA-N"	"?"
"1755"	"81250-25-1"	"1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-3-(2-methylpropyl)-1-propyl-"	"DTXSID20230983"	"CC1NC2=C(N=1)N(CC(C)C)C(=O)N(CCC)C2=O"	"InChI=1S/C13H20N4O2/c1-5-6-16-12(18)10-11(15-9(4)14-10)17(13(16)19)7-8(2)3/h8H,5-7H2,1-4H3,(H,14,15)"	"MXCWVLPCPQZMFT-UHFFFAOYSA-N"	"?"
"1756"	"36518-74-8"			"CCCOC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl"	"InChI=1S/C9H7Cl5O/c1-2-3-15-9-7(13)5(11)4(10)6(12)8(9)14/h2-3H2,1H3"	"GJMNJUGLIPUBHJ-UHFFFAOYSA-N"	"?"
"1757"	"1071-93-8"	"Hexanedihydrazide"	"DTXSID0044361"	"NNC(=O)CCCCC(=O)NN"	"InChI=1S/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)"	"IBVAQQYNSHJXBV-UHFFFAOYSA-N"	"?"
"1758"	"1223-36-5"	"Clofexamide"	"DTXSID6046424"	"CCN(CCNC(=O)COC1C=CC(Cl)=CC=1)CC"	"InChI=1S/C14H21ClN2O2/c1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)"	"UORGKWWJEQDTGX-UHFFFAOYSA-N"	"?"
"1759"	"33005-95-7"	"Tiaprofenic acid"	"DTXSID5023665"	"CC(C(O)=O)C1=CC=C(S1)C(=O)C1C=CC=CC=1"	"InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)"	"GUHPRPJDBZHYCJ-UHFFFAOYSA-N"	"?"
"1760"	"3060-89-7"	"Metobromuron"	"DTXSID6042157"	"CON(C)C(=O)NC1C=CC(Br)=CC=1"	"InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)"	"WLFDQEVORAMCIM-UHFFFAOYSA-N"	"?"
"1761"	"7681-80-3"			"CC(CC)C(C1=CC=CC=C1)C(=O)OC1CC[N+](C)(C)CC1"	"InChI=1S/C19H30NO2/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17/h6-10,15,17-18H,5,11-14H2,1-4H3/q+1"	"WSWDKMFWJOALEW-UHFFFAOYSA-N"	"COS(=O)(=O)[O-]"
"1762"	"3289-28-9"	"Cyclohexanecarboxylic acid, ethyl ester"	"DTXSID7062958"	"CCOC(=O)C1CCCCC1"	"InChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3"	"JJOYCHKVKWDMEA-UHFFFAOYSA-N"	"?"
"1763"	"630-60-4"	"Ouabain"	"DTXSID0043765"	"CC12CC(O)C3C(CCC4(O)CC(CC(O)C43CO)OC3OC(C)C(O)C(O)C3O)C1(O)CCC2C1COC(=O)C=1"	"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3"	"LPMXVESGRSUGHW-UHFFFAOYSA-N"	"?"
"1764"	"67-03-8"	"Thiamine hydrochloride"	"DTXSID0040622"	"CC1N=C(N)C(C[N+]2=CSC(CCO)=C2C)=CN=1"	"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1"	"JZRWCGZRTZMZEH-UHFFFAOYSA-N"	"[Cl-].Cl"
"1765"	"53-96-3"	"2-Acetylaminofluorene"	"DTXSID0039227"	"CC(=O)NC1C=C2CC3C=CC=CC=3C2=CC=1"	"InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)"	"CZIHNRWJTSTCEX-UHFFFAOYSA-N"	"?"
"1766"	"64037-20-3"	"Benzoxazole, 5-chloro-2-dimethylamino-"	"DTXSID80214042"	"CN(C)C1=NC2C=C(Cl)C=CC=2O1"	"InChI=1S/C9H9ClN2O/c1-12(2)9-11-7-5-6(10)3-4-8(7)13-9/h3-5H,1-2H3"	"PEIPXRWFLGUKQA-UHFFFAOYSA-N"	"?"
"1767"	"103694-68-4"	"2,2-Dimethyl-3-(3-methylphenyl)propanol"	"DTXSID0051520"	"CC1C=CC=C(CC(C)(C)CO)C=1"	"InChI=1S/C12H18O/c1-10-5-4-6-11(7-10)8-12(2,3)9-13/h4-7,13H,8-9H2,1-3H3"	"FYMOBFDUZIDKMI-UHFFFAOYSA-N"	"?"
"1768"	"137927-74-3"	"Acetic acid, ((6-(4-fluorophenoxy)-4-pyrimidinyl)thio)-, hydrazide"	"DTXSID90160400"	"NNC(=O)CSC1C=C(N=CN=1)OC1C=CC(F)=CC=1"	"InChI=1S/C12H11FN4O2S/c13-8-1-3-9(4-2-8)19-11-5-12(16-7-15-11)20-6-10(18)17-14/h1-5,7H,6,14H2,(H,17,18)"	"OENZEBSYOMLZSJ-UHFFFAOYSA-N"	"?"
"1769"	"5888-33-5"	"Isobornyl acrylate"	"DTXSID5052250"	"CC1(C)C2CC(OC(=O)C=C)C1(C)CC2"	"InChI=1S/C13H20O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3"	"PSGCQDPCAWOCSH-UHFFFAOYSA-N"	"?"
"1770"	"96-64-0"	"Pinacolyl methylphosphonofluoridate"	"DTXSID2031906"	"CC(OP(C)(=O)F)C(C)(C)C"	"InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3"	"GRXKLBBBQUKJJZ-UHFFFAOYSA-N"	"?"
"1771"	"42585-60-4"			"CN(C)CCCN1C(C(SC2C=CC=CC1=2)C(C)O)C1C=CC=CC=1"	"InChI=1S/C21H28N2OS/c1-16(24)21-20(17-10-5-4-6-11-17)23(15-9-14-22(2)3)18-12-7-8-13-19(18)25-21/h4-8,10-13,16,20-21,24H,9,14-15H2,1-3H3"	"NLHSAORUHYEBFE-UHFFFAOYSA-N"	"?"
"1772"	"18361-12-1"	"Phosphorothioic acid, O-(6-chlorothymyl) O,O-dimethyl ester"	"DTXSID30171454"	"CC1=CC(OP(=S)(OC)OC)=C(C=C1Cl)C(C)C"	"InChI=1S/C12H18ClO3PS/c1-8(2)10-7-11(13)9(3)6-12(10)16-17(18,14-4)15-5/h6-8H,1-5H3"	"JGRYQQOHKWTHNX-UHFFFAOYSA-N"	"?"
"1773"	"515-03-7"	"Sclareol"	"DTXSID0047111"	"CC1(C)CCCC2(C)C1CCC(C)(O)C2CCC(C)(O)C=C"	"InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3"	"XVULBTBTFGYVRC-UHFFFAOYSA-N"	"?"
"1774"	"7778-70-3"	"2-Mercaptobenzothiazole potassium salt"	"DTXSID0041432"	"SC1=NC2=CC=CC=C2S1"	"InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)"	"YXIWHUQXZSMYRE-UHFFFAOYSA-N"	"[K+]"
"1775"	"54927-63-8"	"Septamycin"	"DTXSID70203440"	"CC1(O)OC(C2CCC(O2)C2CCC(O2)C2(C)OC3(OC(CC(OC)C3C)CC3OC(O)(C(C)C(O)=O)C(C)C(OC)C3(C)OC3CCC(OC)C(C)O3)C(C)C2OC)C(C)CC1C"	"InChI=1S/C48H82O16/c1-24-21-25(2)46(10,51)63-40(24)35-16-15-33(58-35)34-17-19-37(59-34)45(9)42(56-14)28(5)48(64-45)26(3)36(54-12)22-31(60-48)23-38-44(8,62-39-20-18-32(53-11)30(7)57-39)41(55-13)27(4)47(52,61-38)29(6)43(49)50/h24-42,51-52H,15-23H2,1-14H3,(H,49,50)"	"QZVSDERYSHAHPU-UHFFFAOYSA-N"	"?"
"1776"	"144-49-0"	"Fluoroacetic acid"	"DTXSID0041981"	"OC(=O)CF"	"InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)"	"QEWYKACRFQMRMB-UHFFFAOYSA-N"	"?"
"1777"	"65442-31-1"	"6-(Butan-2-yl)quinoline"	"DTXSID4052340"	"CCC(C)C1C=C2C=CC=NC2=CC=1"	"InChI=1S/C13H15N/c1-3-10(2)11-6-7-13-12(9-11)5-4-8-14-13/h4-10H,3H2,1-2H3"	"AUBLFWWZTFFBNU-UHFFFAOYSA-N"	"?"
"1778"	"3226-32-2"	"Phenol, o-hexyl-"	"DTXSID00186010"	"CCCCCCC1C=CC=CC=1O"	"InChI=1S/C12H18O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h6-7,9-10,13H,2-5,8H2,1H3"	"ABMULKFGWTYIIK-UHFFFAOYSA-N"	"?"
"1779"	"91-43-0"	"1-Chloro-2,5-diethoxy-4-nitrobenzene"	"DTXSID0044739"	"CCOC1C=C(Cl)C(=CC=1[N+]([O-])=O)OCC"	"InChI=1S/C10H12ClNO4/c1-3-15-9-6-8(12(13)14)10(16-4-2)5-7(9)11/h5-6H,3-4H2,1-2H3"	"HWLDAZMGMQYWGW-UHFFFAOYSA-N"	"?"
"1780"	"67674-36-6"	"(2E,6Z)-1,1-diethoxynona-2,6-diene"	"DTXSID0047034"	"CCC=CCCC=CC(OCC)OCC"	"InChI=1S/C13H24O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h7-8,11-13H,4-6,9-10H2,1-3H3"	"GCIRJCKOUVCUBZ-UHFFFAOYSA-N"	"?"
"1781"	"119168-77-3"	"Tebufenpyrad"	"DTXSID0034223"	"CCC1=NN(C)C(C(=O)NCC2C=CC(=CC=2)C(C)(C)C)=C1Cl"	"InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)"	"ZZYSLNWGKKDOML-UHFFFAOYSA-N"	"?"
"1782"	"2141-62-0"	"3-Ethoxypropiononitrile"	"DTXSID0051861"	"CCOCCC#N"	"InChI=1S/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3"	"DCWQZPJHHVLHSV-UHFFFAOYSA-N"	"?"
"1783"	"108-68-9"	"3,5-Dimethylphenol"	"DTXSID1025148"	"CC1=CC(O)=CC(C)=C1"	"InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3"	"TUAMRELNJMMDMT-UHFFFAOYSA-N"	"?"
"1784"	"26038-90-4"	"Boric acid compd. with 1-amino-2-propanol (1:x)"	"DTXSID0051364"	"CC(O)CN"	"InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3"	"HXKKHQJGJAFBHI-UHFFFAOYSA-N"	"B(O)(O)O"
"1785"	"33396-37-1"			"CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)c2coc(=O)cc2)C(O)C(O)C1OC"	"InChI=1S/C31H44O8/c1-17-27(36-4)25(33)26(34)28(38-17)39-20-9-12-29(2)19(15-20)6-7-23-22(29)10-13-30(3)21(11-14-31(23,30)35)18-5-8-24(32)37-16-18/h5,8,15-17,20-23,25-28,33-35H,6-7,9-14H2,1-4H3"	"RKWPZPDLTYBKCL-UHFFFAOYSA-N"	"?"
"1786"	"77-81-6"	"Tabun"	"DTXSID80861631"	"CCOP(=O)(C#N)N(C)C"	"InChI=1S/C5H11N2O2P/c1-4-9-10(8,5-6)7(2)3/h4H2,1-3H3"	"PJVJTCIRVMBVIA-UHFFFAOYSA-N"	"?"
"1787"	"27593-23-3"	"6-Pentyl-2H-pyran-2-one"	"DTXSID0047589"	"CCCCCC1=CC=CC(=O)O1"	"InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3"	"MAUFTTLGOUBZNA-UHFFFAOYSA-N"	"?"
"1788"	"86433-39-8"	"Terflavoxate hydrochloride"	"DTXSID30235540"	"CC1C(=O)C2C=CC=C(C(=O)OC(C)(C)CN3CCCCC3)C=2OC=1C1C=CC=CC=1"	"InChI=1S/C26H29NO4/c1-18-22(28)20-13-10-14-21(24(20)30-23(18)19-11-6-4-7-12-19)25(29)31-26(2,3)17-27-15-8-5-9-16-27/h4,6-7,10-14H,5,8-9,15-17H2,1-3H3"	"VQTYZZPDAFGNCK-UHFFFAOYSA-N"	"Cl"
"1789"	"367-21-5"	"3-Chloro-4-fluoroaniline"	"DTXSID0038754"	"NC1C=C(Cl)C(F)=CC=1"	"InChI=1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2"	"YSEMCVGMNUUNRK-UHFFFAOYSA-N"	"?"
"1790"	"3083-25-8"	"1,2-Epoxy-4,4,4-trichlorobutane"	"DTXSID8025250"	"ClC(Cl)(Cl)CC1CO1"	"InChI=1S/C4H5Cl3O/c5-4(6,7)1-3-2-8-3/h3H,1-2H2"	"CYYDNXCYDWWSPS-UHFFFAOYSA-N"	"?"
"1791"	"75011-65-3"	"N-Methyldopamine,O,O'-diisobutyroylester hydrochloride"	"DTXSID0020864"	"CC(C)C(=O)OC1C=C(CCNC)C=CC=1OC(=O)C(C)C"	"InChI=1S/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3"	"WDKXLLJDNUBYCY-UHFFFAOYSA-N"	"Cl"
"1792"	"68187-41-7"	"Phosphorodithioic acid, O,O-di-C1-14-alkyl esters"	"DTXSID0028408"	"CCCCCCCOP(S)(=S)OCCCCCCC"	"InChI=1S/C14H31O2PS2/c1-3-5-7-9-11-13-15-17(18,19)16-14-12-10-8-6-4-2/h3-14H2,1-2H3,(H,18,19)"	"KXKYPMWKQXTEEX-UHFFFAOYSA-N"	"?"
"1793"	"2545-59-7"	"2,4,5-T-butotyl"	"DTXSID3041328"	"CCCCOCCOC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl"	"InChI=1S/C14H17Cl3O4/c1-2-3-4-19-5-6-20-14(18)9-21-13-8-11(16)10(15)7-12(13)17/h7-8H,2-6,9H2,1H3"	"GLDWASBMYWLQGG-UHFFFAOYSA-N"	"?"
"1794"	"117666-85-0"			"COC1C=CC(C=CC(=S)OCC)=CC=1OCCC"	"InChI=1S/C15H20O3S/c1-4-10-18-14-11-12(6-8-13(14)16-3)7-9-15(19)17-5-2/h6-9,11H,4-5,10H2,1-3H3"	"VFRJDRWMWFPRRY-UHFFFAOYSA-N"	"?"
"1795"	"10312-83-1"	"2-Methoxyacetaldehyde"	"DTXSID90145651"	"COCC=O"	"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3"	"YSEFYOVWKJXNCH-UHFFFAOYSA-N"	"?"
"1796"	"17329-19-0"			"C(CCCCCN=CC1=CC=CO1)N=CC1=CC=CO1"	"InChI=1S/C16H20N2O2/c1(3-9-17-13-15-7-5-11-19-15)2-4-10-18-14-16-8-6-12-20-16/h5-8,11-14H,1-4,9-10H2"	"LMXJMWBWWSFMLA-UHFFFAOYSA-N"	"?"
"1797"	"7082-21-5"	"Terodiline hydrochloride"	"DTXSID1048968"	"CC(CC(C1C=CC=CC=1)C1C=CC=CC=1)NC(C)(C)C"	"InChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3"	"UISARWKNNNHPGI-UHFFFAOYSA-N"	"Cl"
"1798"	"13425-22-4"			"NC1=NCC(O1)C1C=CC=CC=1"	"InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)"	"SYAKTDIEAPMBAL-UHFFFAOYSA-N"	"C(=C/C(=O)O)\C(=O)O"
"1799"	"3566-09-4"			"CNC(=O)OC1=CC=CC(C(C)C)=C1Cl"	"InChI=1S/C11H14ClNO2/c1-7(2)8-5-4-6-9(10(8)12)15-11(14)13-3/h4-7H,1-3H3,(H,13,14)"	"OYQYZTQPLCFOSQ-UHFFFAOYSA-N"	"?"
"1800"	"136-78-7"	"Sesone"	"DTXSID0042377"	"OS(=O)(=O)OCCOC1C=CC(Cl)=CC=1Cl"	"InChI=1S/C8H8Cl2O5S/c9-6-1-2-8(7(10)5-6)14-3-4-15-16(11,12)13/h1-2,5H,3-4H2,(H,11,12,13)"	"HJEINPVZRDJRBY-UHFFFAOYSA-N"	"[Na+]"
"1801"	"55335-06-3"	"Triclopyr"	"DTXSID0032497"	"OC(=O)COC1N=C(Cl)C(Cl)=CC=1Cl"	"InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)"	"REEQLXCGVXDJSQ-UHFFFAOYSA-N"	"?"
"1802"	"2984-70-5"			"CCP(=S)(OC)SC1C=CC=CC=1"	"InChI=1S/C9H13OPS2/c1-3-11(12,10-2)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3"	"BFHXKSJAKWIQQW-UHFFFAOYSA-N"	"?"
"1803"	"63980-23-4"			"CCCCCCCCCC=CC(=O)OC(=O)C=CCCCCCCCCC"	"InChI=1S/C24H42O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3"	"XNFGZQXMDBREDW-UHFFFAOYSA-N"	"?"
"1804"	"56-18-8"	"Iminobis-3-propylamine"	"DTXSID0025440"	"NCCCNCCCN"	"InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2"	"OTBHHUPVCYLGQO-UHFFFAOYSA-N"	"?"
"1805"	"97-05-2"	"Benzoic acid, 2-hydroxy-5-sulfo-"	"DTXSID7059145"	"OC(=O)C1C=C(C=CC=1O)S(O)(=O)=O"	"InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)"	"YCPXWRQRBFJBPZ-UHFFFAOYSA-N"	"?"
"1806"	"22259-30-9"	"Formetanate"	"DTXSID9041990"	"CNC(=O)OC1C=C(C=CC=1)N=CN(C)C"	"InChI=1S/C11H15N3O2/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3/h4-8H,1-3H3,(H,12,15)"	"RMFNNCGOSPBBAD-UHFFFAOYSA-N"	"?"
"1807"	"534-17-8"	"Dicaesium carbonate"	"DTXSID0052178"	"OC(O)=O"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	"[Cs+].[Cs+]"
"1808"	"13187-06-9"	"Pimethixene maleate"	"DTXSID7045863"	"CN1CCC(CC1)=C1C2C=CC=CC=2SC2C=CC=CC=21"	"InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3"	"NZLVRVYNQYGMAB-UHFFFAOYSA-N"	"OC(=O)/C=C\C(O)=O"
"1809"	"40548-68-3"	"Tetrahydro-2-nitroso-2H-1,2-oxazine"	"DTXSID1021326"	"O=NN1CCCCO1"	"InChI=1S/C4H8N2O2/c7-5-6-3-1-2-4-8-6/h1-4H2"	"PREXGTBZMLDXHV-UHFFFAOYSA-N"	"?"
"1810"	"39004-94-9"	"Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester"	"DTXSID30192280"	"COP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC1C=CC(=CC=1)[N+]([O-])=O"	"InChI=1S/C13H11N2O7PS/c1-20-23(24,21-12-6-2-10(3-7-12)14(16)17)22-13-8-4-11(5-9-13)15(18)19/h2-9H,1H3"	"AQAXQJMWHPFBPU-UHFFFAOYSA-N"	"?"
"1811"	"43154-85-4"	"Butanedioic acid, sulfo-, 1-[1-methyl-2-[(1-oxo-9-octadecenyl)amino]ethyl] ester, disodium salt"	"DTXSID0041694"	"CC(CNC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CC(C(O)=O)S(O)(=O)=O"	"InChI=1S/C25H45NO8S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-20-21(2)34-24(28)19-22(25(29)30)35(31,32)33/h10-11,21-22H,3-9,12-20H2,1-2H3,(H,26,27)(H,29,30)(H,31,32,33)"	"MGYNSFHFMQUQLF-UHFFFAOYSA-N"	"[Na+].[Na+]"
"1812"	"61-54-1"	"Tryptamine"	"DTXSID2075340"	"NCCC1=CNC2C=CC=CC=21"	"InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2"	"APJYDQYYACXCRM-UHFFFAOYSA-N"	"?"
"1813"	"4385-05-1"	"N,N-Dimethyl-2-(morpholin-4-yl)ethanamine"	"DTXSID0044943"	"CN(C)CCN1CCOCC1"	"InChI=1S/C8H18N2O/c1-9(2)3-4-10-5-7-11-8-6-10/h3-8H2,1-2H3"	"PMHXGHYANBXRSZ-UHFFFAOYSA-N"	"?"
"1814"	"31333-64-9"	"Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester"	"DTXSID9073468"	"CSC(C)=CSP(=S)(OCC)OCC"	"InChI=1S/C8H17O2PS3/c1-5-9-11(12,10-6-2)14-7-8(3)13-4/h7H,5-6H2,1-4H3"	"OODROCAKQYOGSX-UHFFFAOYSA-N"	"?"
"1815"	"37350-58-6"	"Metoprolol"	"DTXSID2023309"	"CC(C)NCC(O)COC1=CC=C(CCOC)C=C1"	"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3"	"IUBSYMUCCVWXPE-UHFFFAOYSA-N"	"?"
"1816"	"68608-89-9"	"Mono-C11-13-branched alkyl benzenesulfonic acid sodium salts"	"DTXSID0029472"	"CC(C)CC(C)CC(C)C(CC)C1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C18H30O3S/c1-6-18(15(5)12-14(4)11-13(2)3)16-7-9-17(10-8-16)22(19,20)21/h7-10,13-15,18H,6,11-12H2,1-5H3,(H,19,20,21)"	"IMRAQEPVUVPOHG-UHFFFAOYSA-N"	"[Na+]"
"1817"	"56218-79-2"	"(Z)-9-Tetradecen-1-ol formate"	"DTXSID0041195"	"CCCCC=CCCCCCCCCOC=O"	"InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16/h5-6,15H,2-4,7-14H2,1H3"	"MAOWSVNIDSZOBR-UHFFFAOYSA-N"	"?"
"1818"	"120-11-6"	"1-Benzyloxy-2-methoxy-4-(1-propenyl)benzene"	"DTXSID0051605"	"COC1=CC(C=CC)=CC=C1OCC1C=CC=CC=1"	"InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3"	"YKSSSKBJDZDZTD-UHFFFAOYSA-N"	"?"
"1819"	"56047-23-5"	"Sodium 4-chlorophthalate"	"DTXSID0044442"	"OC(=O)C1C=CC(Cl)=CC=1C(O)=O"	"InChI=1S/C8H5ClO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)"	"DVIPPHSQIBKWSA-UHFFFAOYSA-N"	"[Na+]"
"1820"	"4748-78-1"	"4-Ethylbenzaldehyde"	"DTXSID0047080"	"CCC1=CC=C(C=O)C=C1"	"InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3"	"QNGNSVIICDLXHT-UHFFFAOYSA-N"	"?"
"1821"	"36443-68-2"	"Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate"	"DTXSID0044236"	"CC1C=C(CCC(=O)OCCOCCOCCOC(=O)CCC2C=C(C)C(O)=C(C=2)C(C)(C)C)C=C(C=1O)C(C)(C)C"	"InChI=1S/C34H50O8/c1-23-19-25(21-27(31(23)37)33(3,4)5)9-11-29(35)41-17-15-39-13-14-40-16-18-42-30(36)12-10-26-20-24(2)32(38)28(22-26)34(6,7)8/h19-22,37-38H,9-18H2,1-8H3"	"QSRJVOOOWGXUDY-UHFFFAOYSA-N"	"?"
"1822"	"6004-98-4"			"C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2C=CC=CC=2)CC1"	"InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1"	"ZRYHPQCHHOKSMD-UHFFFAOYSA-N"	"?"
"1823"	"117-83-9"	"Bis(2-butoxyethyl) phthalate"	"DTXSID9047174"	"CCCCOCCOC(=O)C1C=CC=CC=1C(=O)OCCOCCCC"	"InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3"	"CMCJNODIWQEOAI-UHFFFAOYSA-N"	"?"
"1824"	"7681-76-7"	"Ronidazole"	"DTXSID6045400"	"CN1C(COC(N)=O)=NC=C1[N+]([O-])=O"	"InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)"	"PQFRTXSWDXZRRS-UHFFFAOYSA-N"	"?"
"1825"	"2624-31-9"	"Potassium palmitate"	"DTXSID0042321"	"CCCCCCCCCCCCCCCC(O)=O"	"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)"	"IPCSVZSSVZVIGE-UHFFFAOYSA-N"	"[K+]"
"1826"	"2642-71-9"	"Azinphos-ethyl"	"DTXSID5037498"	"CCOP(=S)(OCC)SCN1N=NC2C=CC=CC=2C1=O"	"InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3"	"RQVGAIADHNPSME-UHFFFAOYSA-N"	"?"
"1827"	"68855-24-3"	"Benzene, C14-30-alkyl derivs."	"DTXSID0028824"	"CCCCCCCCCCCCCCCCCCCCCCC1C=CC=CC=1"	"InChI=1S/C28H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-28-26-23-21-24-27-28/h21,23-24,26-27H,2-20,22,25H2,1H3"	"MEYUFRQDILUMEC-UHFFFAOYSA-N"	"?"
"1828"	"2905-23-9"	"Benzenesulfonyl chloride, 2-chloro-"	"DTXSID3074731"	"O=S(=O)(Cl)C1C=CC=CC=1Cl"	"InChI=1S/C6H4Cl2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H"	"KMVZDSQHLDGKGV-UHFFFAOYSA-N"	"?"
"1829"	"90503-68-7"	"Acetamide, 2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)-"	"DTXSID9073707"	"CC1=CC=CC(OCC)=C1N(COCCC)C(=O)CCl"	"InChI=1S/C15H22ClNO3/c1-4-9-19-11-17(14(18)10-16)15-12(3)7-6-8-13(15)20-5-2/h6-8H,4-5,9-11H2,1-3H3"	"XQRHYWUNESOAQI-UHFFFAOYSA-N"	"?"
"1830"	"38577-97-8"	"4'5'-Diiodofluorescein"	"DTXSID0044238"	"OC1C=CC2=C(OC3=C(C=CC(O)=C3I)C32OC(=O)C2=CC=CC=C32)C=1I"	"InChI=1S/C20H10I2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H"	"DSVUBXQDJGJGIC-UHFFFAOYSA-N"	"?"
"1831"	"119-40-4"	"4-Hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid"	"DTXSID0044787"	"OC1=CC(=CC2C=C(C=CC1=2)NC1C=CC=CC=1)S(O)(=O)=O"	"InChI=1S/C16H13NO4S/c18-16-10-14(22(19,20)21)9-11-8-13(6-7-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)"	"YGNDWDUEMICDLW-UHFFFAOYSA-N"	"?"
"1832"	"2654-58-2"	"4,4-Dimethyl-1-phenyl-3-pyrazolidone"	"DTXSID0051940"	"CC1(C)CN(NC1=O)C1C=CC=CC=1"	"InChI=1S/C11H14N2O/c1-11(2)8-13(12-10(11)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)"	"SJSJAWHHGDPBOC-UHFFFAOYSA-N"	"?"
"1833"	"2496-92-6"	"O,O-diethyl S-[2-(ethylsulfinyl)-ethyl]phosphorothioate"	"DTXSID7042229"	"CCS(=O)CCSP(=O)(OCC)OCC"	"InChI=1S/C8H19O4PS2/c1-4-11-13(9,12-5-2)14-7-8-15(10)6-3/h4-8H2,1-3H3"	"RWRHZQVSYSDUSM-UHFFFAOYSA-N"	"?"
"1834"	"33235-84-6"			"CCOC(C1NCCCN=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C13H17ClN2O/c1-2-17-12(13-15-8-3-9-16-13)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,15,16)"	"VWBNFHRDDOEDJI-UHFFFAOYSA-N"	"?"
"1835"	"581-42-0"	"2,6-Dimethylnaphthalene"	"DTXSID0029187"	"CC1=CC2C=CC(C)=CC=2C=C1"	"InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3"	"YGYNBBAUIYTWBF-UHFFFAOYSA-N"	"?"
"1836"	"66276-87-7"	"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, decyl ester"	"DTXSID30216475"	"CCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl"	"InChI=1S/C22H35Cl2NO2/c1-2-3-4-5-6-7-8-9-18-27-22(26)19-20-10-12-21(13-11-20)25(16-14-23)17-15-24/h10-13H,2-9,14-19H2,1H3"	"VEYPUIZXSXBCGC-UHFFFAOYSA-N"	"?"
"1837"	"544-92-3"	"Copper cyanide"	"DTXSID7023986"	"C#N"	"InChI=1S/CHN/c1-2/h1H"	"LELOWRISYMNNSU-UHFFFAOYSA-N"	"[Cu+]"
"1838"	"152-97-6"	"Fluocortolone"	"DTXSID00861835"	"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(O)C=O"	"InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,10-11,13-14,16-20,26-27H,6,8-9H2,1-3H3"	"FVWMPQKFPZSHTJ-UHFFFAOYSA-N"	"?"
"1839"	"30304-41-7"	"Phenol, dodecyl-, hydrogen phosphorodithioate"	"DTXSID0029349"	"CCCCCCCCCCCCC1C=CC(=CC=1)OP(S)(=S)OC1C=CC(CCCCCCCCCCCC)=CC=1"	"InChI=1S/C36H59O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-33-25-29-35(30-26-33)37-39(40,41)38-36-31-27-34(28-32-36)24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3,(H,40,41)"	"KIHVMOUITFPOEI-UHFFFAOYSA-N"	"?"
"1840"	"4404-43-7"	"C.I. Fluorescent brightening agent 28"	"DTXSID0029264"	"OS(=O)(=O)C1=CC(=CC=C1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1=NC(NC2C=CC=CC=2)=NC(=N1)N(CCO)CCO)NC1=NC(NC2C=CC=CC=2)=NC(=N1)N(CCO)CCO"	"InChI=1S/C40H44N12O10S2/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50)"	"CNGYZEMWVAWWOB-UHFFFAOYSA-N"	"?"
"1841"	"56217-65-3"			"CC(C)COP(C)(=O)SCCN(C)C"	"InChI=1S/C9H22NO2PS/c1-9(2)8-12-13(5,11)14-7-6-10(3)4/h9H,6-8H2,1-5H3"	"OVBJVFPBWXJERA-UHFFFAOYSA-N"	"?"
"1842"	"335-27-3"	"Perfluoro-1,3-dimethylcyclohexane"	"DTXSID0036926"	"FC1(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F)C(F)(F)F"	"InChI=1S/C8F16/c9-1(7(19,20)21)3(11,12)2(10,8(22,23)24)5(15,16)6(17,18)4(1,13)14"	"LOQGSOTUHASIHI-UHFFFAOYSA-N"	"?"
"1843"	"31430-15-6"	"Flubendazole"	"DTXSID8023058"	"COC(=O)NC1NC2=CC(=CC=C2N=1)C(=O)C1C=CC(F)=CC=1"	"InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)"	"CPEUVMUXAHMANV-UHFFFAOYSA-N"	"?"
"1844"	"525-76-8"	"4H-3,1-Benzoxazin-4-one,2-methyl-"	"DTXSID0049313"	"CC1=NC2=CC=CC=C2C(=O)O1"	"InChI=1S/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3"	"WMQSKECCMQRJRX-UHFFFAOYSA-N"	"?"
"1845"	"33232-88-1"			"COP(=O)(CC)OC1C=CC(=CC=1)C#N"	"InChI=1S/C10H12NO3P/c1-3-15(12,13-2)14-10-6-4-9(8-11)5-7-10/h4-7H,3H2,1-2H3"	"MNSKANYJEVJUOP-UHFFFAOYSA-N"	"?"
"1846"	"27178-16-1"			"CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C"	"InChI=1S/C26H50O4/c1-23(2)17-11-7-5-9-15-21-29-25(27)19-13-14-20-26(28)30-22-16-10-6-8-12-18-24(3)4/h23-24H,5-22H2,1-4H3"	"YKGYQYOQRGPFTO-UHFFFAOYSA-N"	"?"
"1847"	"68332-79-6"	"Propylene glycol octanoate"	"DTXSID0035794"	"CCCCCCCC(=O)OCC(C)O"	"InChI=1S/C11H22O3/c1-3-4-5-6-7-8-11(13)14-9-10(2)12/h10,12H,3-9H2,1-2H3"	"GHHURQMJLARIDK-UHFFFAOYSA-N"	"?"
"1848"	"4273-98-7"	"2-(Phenylsulfonyl)aniline"	"DTXSID0044941"	"NC1=CC=CC=C1S(=O)(=O)C1C=CC=CC=1"	"InChI=1S/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2"	"JBCUKQQIWSWEOK-UHFFFAOYSA-N"	"?"
"1849"	"3684-97-7"	"Acetonitrile, 2(N-methyl-N-nitroso)amino-"	"DTXSID30190302"	"CN(CC#N)N=O"	"InChI=1S/C3H5N3O/c1-6(5-7)3-2-4/h3H2,1H3"	"KJIVJRGXJXQEQK-UHFFFAOYSA-N"	"?"
"1850"	"3037-72-7"			"C[Si](CCCCN)(OCC)OCC"	"InChI=1S/C9H23NO2Si/c1-4-11-13(3,12-5-2)9-7-6-8-10/h4-10H2,1-3H3"	"YHFFINXFNYQPQA-UHFFFAOYSA-N"	"?"
"1851"	"42373-04-6"	"C.I. Basic Red 29"	"DTXSID0030900"	"CN1C(=C(/N=N/C2SC=C[N+]=2C)C2C=CC=CC1=2)C1C=CC=CC=1"	"InChI=1S/C19H17N4S/c1-22-12-13-24-19(22)21-20-17-15-10-6-7-11-16(15)23(2)18(17)14-8-4-3-5-9-14/h3-13H,1-2H3/q+1"	"MBSCGGXZUJHLJX-UHFFFAOYSA-N"	"[Cl-]"
"1852"	"1817-68-1"	"2,6-Bis(1-phenylethyl)-4-methylphenol"	"DTXSID0051813"	"CC1C=C(C(C)C2C=CC=CC=2)C(O)=C(C=1)C(C)C1C=CC=CC=1"	"InChI=1S/C23H24O/c1-16-14-21(17(2)19-10-6-4-7-11-19)23(24)22(15-16)18(3)20-12-8-5-9-13-20/h4-15,17-18,24H,1-3H3"	"QFCGHEBLSUPGPF-UHFFFAOYSA-N"	"?"
"1853"	"123-81-9"	"Ethane-1,2-diyl bis(sulfanylacetate)"	"DTXSID0044527"	"O=C(CS)OCCOC(=O)CS"	"InChI=1S/C6H10O4S2/c7-5(3-11)9-1-2-10-6(8)4-12/h11-12H,1-4H2"	"PSYGHMBJXWRQFD-UHFFFAOYSA-N"	"?"
"1854"	"1708-34-5"	"2-Hexyl-1,3-dioxolane"	"DTXSID0051786"	"CCCCCCC1OCCO1"	"InChI=1S/C9H18O2/c1-2-3-4-5-6-9-10-7-8-11-9/h9H,2-8H2,1H3"	"DDSSJDFXTAYRNO-UHFFFAOYSA-N"	"?"
"1855"	"63938-48-7"			"O=C(OCC(Cl)(Cl)Cl)C1=CC=CO1"	"InChI=1S/C7H5Cl3O3/c8-7(9,10)4-13-6(11)5-2-1-3-12-5/h1-3H,4H2"	"WWHZWLUAKBBFNX-UHFFFAOYSA-N"	"?"
"1856"	"7700-17-6"	"Crotoxyphos"	"DTXSID6037514"	"CC(=CC(=O)OC(C)C1C=CC=CC=1)OP(=O)(OC)OC"	"InChI=1S/C14H19O6P/c1-11(20-21(16,17-3)18-4)10-14(15)19-12(2)13-8-6-5-7-9-13/h5-10,12H,1-4H3"	"XXXSILNSXNPGKG-UHFFFAOYSA-N"	"?"
"1857"	"10420-33-4"	"Dimethyl acetylsuccinate"	"DTXSID0041692"	"CC(=O)C(CC(=O)OC)C(=O)OC"	"InChI=1S/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3"	"XREKLQOUFWBSFH-UHFFFAOYSA-N"	"?"
"1858"	"111-12-6"	"Methyl 2-octynoate"	"DTXSID9047093"	"CCCCCC#CC(=O)OC"	"InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3"	"FRLZQXRXIKQFNS-UHFFFAOYSA-N"	"?"
"1859"	"84-51-5"	"2-Ethylanthracene-9,10-dione"	"DTXSID5044994"	"CCC1=CC2=C(C=C1)C(=O)C1C=CC=CC=1C2=O"	"InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3"	"SJEBAWHUJDUKQK-UHFFFAOYSA-N"	"?"
"1860"	"90-05-1"	"2-Methoxyphenol"	"DTXSID0023113"	"COC1C=CC=CC=1O"	"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3"	"LHGVFZTZFXWLCP-UHFFFAOYSA-N"	"?"
"1861"	"13590-97-1"	"Dodecylguanidine hydrochloride"	"DTXSID0035954"	"CCCCCCCCCCCCNC(N)=N"	"InChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)"	"HILAYQUKKYWPJW-UHFFFAOYSA-N"	"Cl"
"1862"	"5331-32-8"	"(1R,2R,4R)-2-Methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane -rel-"	"DTXSID0052174"	"CC1(C)C2CC(OC)C1(C)CC2"	"InChI=1S/C11H20O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h8-9H,5-7H2,1-4H3"	"ZRHVOKYSOWTPIG-UHFFFAOYSA-N"	"?"
"1863"	"51937-00-9"	"9,12-Tetradecadien-1-ol, (9E,12Z)-"	"DTXSID0041563"	"CC=CCC=CCCCCCCCCO"	"InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,5-6,15H,4,7-14H2,1H3"	"IHRPKOQVBCPMQH-UHFFFAOYSA-N"	"?"
"1864"	"2988-32-1"			"CN(C)CCC1(C=CC2=CC=CC=C12)C1C=CC=CC=1"	"InChI=1S/C19H21N/c1-20(2)15-14-19(17-9-4-3-5-10-17)13-12-16-8-6-7-11-18(16)19/h3-13H,14-15H2,1-2H3"	"KAQPNQMPHIRKJJ-UHFFFAOYSA-N"	"Cl"
"1865"	"3508-00-7"	"Heptadecane,1-bromo-"	"DTXSID0049280"	"CCCCCCCCCCCCCCCCCBr"	"InChI=1S/C17H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-17H2,1H3"	"HHSDZLLPIXMEIU-UHFFFAOYSA-N"	"?"
"1866"	"4482-85-3"			"Cc1c(Cl)c(=O)oc2cc(ccc12)OP(=O)(OCC(C)Cl)OCC(C)Cl"	"InChI=1S/C16H18Cl3O6P/c1-9(17)7-22-26(21,23-8-10(2)18)25-12-4-5-13-11(3)15(19)16(20)24-14(13)6-12/h4-6,9-10H,7-8H2,1-3H3"	"YPYDHHNOVXXEOE-UHFFFAOYSA-N"	"?"
"1867"	"9005-38-3"	"Sodium alginate"	"DTXSID0040410"	"OC1OC(C(O)C(O)C1O)C(O)=O"	"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)"	"AEMOLEFTQBMNLQ-UHFFFAOYSA-N"	"?"
"1868"	"5284-66-2"	"1-Propanesulfonic acid"	"DTXSID0051231"	"CCCS(O)(=O)=O"	"InChI=1S/C3H8O3S/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6)"	"KCXFHTAICRTXLI-UHFFFAOYSA-N"	"?"
"1869"	"3772-51-8"			"CCOP(=S)(OCC)SCSCSP(=S)(OCC)OCC"	"InChI=1S/C10H24O4P2S5/c1-5-11-15(17,12-6-2)20-9-19-10-21-16(18,13-7-3)14-8-4/h5-10H2,1-4H3"	"XAPFNRDTCIXDLS-UHFFFAOYSA-N"	"?"
"1870"	"591-80-0"	"4-Pentenoic acid"	"DTXSID0044448"	"C=CCCC(O)=O"	"InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)"	"HVAMZGADVCBITI-UHFFFAOYSA-N"	"?"
"1871"	"127-63-9"	"Diphenylsulfone"	"DTXSID6041892"	"O=S(=O)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H"	"KZTYYGOKRVBIMI-UHFFFAOYSA-N"	"?"
"1872"	"488-23-3"	"1,2,3,4-Tetramethylbenzene"	"DTXSID4060072"	"CC1=CC=C(C)C(C)=C1C"	"InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3"	"UOHMMEJUHBCKEE-UHFFFAOYSA-N"	"?"
"1873"	"68258-90-2"	"Heptachlorocyclopentane"	"DTXSID0029426"	"ClC1(Cl)C(Cl)C(Cl)(Cl)C(Cl)C1Cl"	"InChI=1S/C5H3Cl7/c6-1-2(7)5(11,12)3(8)4(1,9)10/h1-3H"	"XCEUTYGYMGYCBG-UHFFFAOYSA-N"	"?"
"1874"	"71771-90-9"	"Denopamine"	"DTXSID8045800"	"COC1=CC=C(CCNCC(O)C2=CC=C(O)C=C2)C=C1OC"	"InChI=1S/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3"	"VHSBBVZJABQOSG-UHFFFAOYSA-N"	"?"
"1875"	"65-22-5"	"Pyridoxal hydrochloride"	"DTXSID0058774"	"CC1N=CC(CO)=C(C=O)C=1O"	"InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3"	"RADKZDMFGJYCBB-UHFFFAOYSA-N"	"Cl"
"1876"	"555-16-8"	"4-Nitrobenzaldehyde"	"DTXSID5022061"	"[O-][N+](=O)C1C=CC(=CC=1)C=O"	"InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H"	"BXRFQSNOROATLV-UHFFFAOYSA-N"	"?"
"1877"	"19589-59-4"	"Benzenesulfonic acid, 3-dodecyl-, sodium salt"	"DTXSID0041644"	"CCCCCCCCCCCCC1C=C(C=CC=1)S(O)(=O)=O"	"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21/h12,14-16H,2-11,13H2,1H3,(H,19,20,21)"	"HRPQWSOMACYCRG-UHFFFAOYSA-N"	"[Na+]"
"1878"	"532-09-2"	"Acetamide, N-(2-butoxyphenyl)- (9CI)"	"DTXSID20201254"	"CC(=O)NC1C=CC=CC=1OCCCC"	"InChI=1S/C12H17NO2/c1-3-4-9-15-12-8-6-5-7-11(12)13-10(2)14/h5-8H,3-4,9H2,1-2H3,(H,13,14)"	"MJELWGXEQOCGGW-UHFFFAOYSA-N"	"?"
"1879"	"27125-91-3"			"CC=CC(C)OC"	"InChI=1S/C6H12O/c1-4-5-6(2)7-3/h4-6H,1-3H3"	"BHZPHJWPPWDASK-UHFFFAOYSA-N"	"?"
"1880"	"27589-33-9"	"Azosemide"	"DTXSID7046910"	"NS(=O)(=O)C1=CC(C2NN=NN=2)=C(C=C1Cl)NCC1=CC=CS1"	"InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)"	"HMEDEBAJARCKCT-UHFFFAOYSA-N"	"?"
"1881"	"532-87-6"	"4-(5-Methyl-1-methylene-4-hexenyl)-1-(4-methylpent-3-enyl)cyclohexene"	"DTXSID0052172"	"CC(C)=CCCC1CCC(CC=1)C(=C)CCC=C(C)C"	"InChI=1S/C20H32/c1-16(2)8-6-10-18(5)20-14-12-19(13-15-20)11-7-9-17(3)4/h8-9,12,20H,5-7,10-11,13-15H2,1-4H3"	"GJYJYFHBOBUTBY-UHFFFAOYSA-N"	"?"
"1882"	"87-33-2"	"Isosorbide dinitrate"	"DTXSID0045832"	"[O-][N+](=O)OC1COC2C1OCC2O[N+]([O-])=O"	"InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2"	"MOYKHGMNXAOIAT-UHFFFAOYSA-N"	"?"
"1883"	"16401-80-2"	"Delmetacin"	"DTXSID90167696"	"CC1=C(CC(O)=O)C2C=CC=CC=2N1C(=O)C1C=CC=CC=1"	"InChI=1S/C18H15NO3/c1-12-15(11-17(20)21)14-9-5-6-10-16(14)19(12)18(22)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,21)"	"AZCOEIZFVQEQCU-UHFFFAOYSA-N"	"?"
"1884"	"87314-99-6"	"2,3-Pyridinedicarboxylic acid, strontium salt"	"DTXSID20236283"	"OC(=O)C1=CC=CN=C1C(O)=O"	"InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)"	"GJAWHXHKYYXBSV-UHFFFAOYSA-N"	"[Sr+2]"
"1885"	"1438-16-0"	"4-Thiazolidinone, 3-amino-2-thioxo-"	"DTXSID7061691"	"NN1C(=O)CSC1=S"	"InChI=1S/C3H4N2OS2/c4-5-2(6)1-8-3(5)7/h1,4H2"	"ZBUUHLDYMKTVLT-UHFFFAOYSA-N"	"?"
"1886"	"62610-77-9"	"Methacrifos"	"DTXSID0058144"	"CC(=COP(=S)(OC)OC)C(=O)OC"	"InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3"	"NTAHCMPOMKHKEU-UHFFFAOYSA-N"	"?"
"1887"	"549-18-8"	"Amitriptyline hydrochloride"	"DTXSID9033187"	"CN(C)CCC=C1C2C=CC=CC=2CCC2C=CC=CC=21"	"InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3"	"KRMDCWKBEZIMAB-UHFFFAOYSA-N"	"Cl"
"1888"	"152-16-9"	"Schradan"	"DTXSID0042373"	"CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C"	"InChI=1S/C8H24N4O3P2/c1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8/h1-8H3"	"SZKKRCSOSQAJDE-UHFFFAOYSA-N"	"?"
"1889"	"1117-41-5"	"3,6,10-Trimethylundeca-3,5,9-trien-2-one"	"DTXSID0051576"	"CC(C)=CCCC(C)=CC=C(C)C(C)=O"	"InChI=1S/C14H22O/c1-11(2)7-6-8-12(3)9-10-13(4)14(5)15/h7,9-10H,6,8H2,1-5H3"	"PRMAVUPVLGOONQ-UHFFFAOYSA-N"	"?"
"1890"	"19525-20-3"			"C1=NC(=CS1)C1NC2C=CC=CC=2N=1"	"InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)"	"WJCNZQLZVWNLKY-UHFFFAOYSA-N"	"Cl"
"1891"	"27253-26-5"			"CC(C)CCCCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCCCCC(C)C"	"InChI=1S/C34H58O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-37-33(35)31-25-19-20-26-32(31)34(36)38-28-22-16-12-8-6-10-14-18-24-30(3)4/h19-20,25-26,29-30H,5-18,21-24,27-28H2,1-4H3"	"BCSGAWBQJHXXSE-UHFFFAOYSA-N"	"?"
"1892"	"78-41-1"	"Triparanol"	"DTXSID6046507"	"CC1C=CC(=CC=1)C(O)(CC1C=CC(Cl)=CC=1)C1C=CC(=CC=1)OCCN(CC)CC"	"InChI=1S/C27H32ClNO2/c1-4-29(5-2)18-19-31-26-16-12-24(13-17-26)27(30,23-10-6-21(3)7-11-23)20-22-8-14-25(28)15-9-22/h6-17,30H,4-5,18-20H2,1-3H3"	"SYHDSBBKRLVLFF-UHFFFAOYSA-N"	"?"
"1893"	"76674-21-0"	"Flutriafol"	"DTXSID8040727"	"OC(CN1C=NC=N1)(C1C=CC=CC=1F)C1C=CC(F)=CC=1"	"InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2"	"JWUCHKBSVLQQCO-UHFFFAOYSA-N"	"?"
"1894"	"76-57-3"	"Codeine"	"DTXSID2020341"	"COC1C=CC2CC3C4C=CC(O)C5OC=1C=2C45CCN3C"	"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3"	"OROGSEYTTFOCAN-UHFFFAOYSA-N"	"?"
"1895"	"1120-34-9"	"Methyl (Z)-docos-13-enoate"	"DTXSID0051578"	"CCCCCCCCC=CCCCCCCCCCCCC(=O)OC"	"InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3"	"ZYNDJIBBPLNPOW-UHFFFAOYSA-N"	"?"
"1896"	"22730-86-5"			"CC(=O)N(CC)C1C(I)=CC(I)=C(OCCOC(C)C(O)=O)C=1I"	"InChI=1S/C15H18I3NO5/c1-4-19(9(3)20)13-10(16)7-11(17)14(12(13)18)24-6-5-23-8(2)15(21)22/h7-8H,4-6H2,1-3H3,(H,21,22)"	"HCPRJARHRUCLBG-UHFFFAOYSA-N"	"?"
"1897"	"10138-43-9"	"Propanol, 3-(2-ethoxyethoxy)-"	"DTXSID60143881"	"CCOCCOCCCO"	"InChI=1S/C7H16O3/c1-2-9-6-7-10-5-3-4-8/h8H,2-7H2,1H3"	"BTGGQLNSJKLJPA-UHFFFAOYSA-N"	"?"
"1898"	"15467-20-6"	"Nitrilotriacetic acid disodium salt"	"DTXSID6065894"	"OC(=O)CN(CC(O)=O)CC(O)=O"	"InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)"	"MGFYIUFZLHCRTH-UHFFFAOYSA-N"	"[Na+].[Na+]"
"1899"	"49847-97-4"			"CC12CCC3C(C1CCC2(O)CCC(O)=O)C1CC1C1=CC(=O)CCC13C"	"InChI=1S/C23H32O4/c1-21-7-3-13(24)11-18(21)14-12-15(14)20-16(21)4-8-22(2)17(20)5-9-23(22,27)10-6-19(25)26/h11,14-17,20,27H,3-10,12H2,1-2H3,(H,25,26)"	"OHZWNMVYJJTNKU-UHFFFAOYSA-N"	"[K+]"
"1900"	"16938-22-0"	"1,6-Diisocyanato-2,2,4-trimethylhexane"	"DTXSID0044602"	"CC(CC(C)(C)CN=C=O)CCN=C=O"	"InChI=1S/C11H18N2O2/c1-10(4-5-12-8-14)6-11(2,3)7-13-9-15/h10H,4-7H2,1-3H3"	"ATOUXIOKEJWULN-UHFFFAOYSA-N"	"?"
"1901"	"2438-32-6"			"CN(C)CCC(C1C=CC=CN=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3"	"SOYKEARSMXGVTM-UHFFFAOYSA-N"	"C(=C/C(=O)O)/C(=O)O"
"1902"	"67-72-1"	"Hexachloroethane"	"DTXSID7020689"	"ClC(Cl)(Cl)C(Cl)(Cl)Cl"	"InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8"	"VHHHONWQHHHLTI-UHFFFAOYSA-N"	"?"
"1903"	"302-27-2"	"Aconitine"	"DTXSID4046319"	"CC(=O)OC12C3C(OC(=O)C4C=CC=CC=4)C(O)(CC3C34C5C(OC)C1C3N(CC5(COC)C(O)CC4OC)CC)C(OC)C2O"	"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3"	"XFSBVAOIAHNAPC-UHFFFAOYSA-N"	"?"
"1904"	"468-28-0"	"Lupulon"	"DTXSID00875553"	"CC(C)CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)C1=O"	"InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19-20,30H,10,13-15H2,1-8H3"	"WYJNATSMJAUNMZ-UHFFFAOYSA-N"	"?"
"1905"	"14595-54-1"	"(4Z)-Cyclopentadec-4-en-1-one"	"DTXSID0051730"	"O=C1CCCCCCCCCCC=CCC1 |c:12|"	"InChI=1S/C15H26O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h7,9H,1-6,8,10-14H2/b9-7-"	"JIYIHILAGIZIMD-CLFYSBASSA-N"	"?"
"1906"	"75-57-0"	"Tetramethylammonium chloride"	"DTXSID6021749"	"C[N+](C)(C)C"	"InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1"	"QEMXHQIAXOOASZ-UHFFFAOYSA-N"	"[Cl-]"
"1907"	"68302-57-8"	"Amlenanox"	"DTXSID2022595"	"CC(C)C1C=C2C(=CC=1)OC1N=C(N)C(=CC=1C2=O)C(O)=O"	"InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)"	"SGRYPYWGNKJSDL-UHFFFAOYSA-N"	"?"
"1908"	"6117-91-5"	"But-2-en-1-ol"	"DTXSID2052283"	"CC=CCO"	"InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3"	"WCASXYBKJHWFMY-UHFFFAOYSA-N"	"?"
"1909"	"492-80-8"	"Auramine"	"DTXSID7043821"	"CN(C)C1C=CC(=CC=1)C(=N)C1C=CC(=CC=1)N(C)C"	"InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3"	"JPIYZTWMUGTEHX-UHFFFAOYSA-N"	"?"
"1910"	"459-57-4"	"4-Fluorobenzaldehyde"	"DTXSID0038756"	"O=CC1C=CC(F)=CC=1"	"InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H"	"UOQXIWFBQSVDPP-UHFFFAOYSA-N"	"?"
"1911"	"23978-55-4"	"Cryptand 2.2"	"DTXSID20178699"	"C1COCCNCCOCCOCCNCCO1"	"InChI=1S/C12H26N2O4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h13-14H,1-12H2"	"NLMDJJTUQPXZFG-UHFFFAOYSA-N"	"?"
"1912"	"52411-33-3"	"2,2'-(Ethylenedithio)dianiline"	"DTXSID0051495"	"NC1C=CC=CC=1SCCSC1=CC=CC=C1N"	"InChI=1S/C14H16N2S2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2"	"BSYVFGQQLJNJJG-UHFFFAOYSA-N"	"?"
"1913"	"89648-76-0"			"CC(CCCC)C(O)C#CC1CCC(=O)C1CC=CCCCC(=O)OC"	"InChI=1S/C22H34O4/c1-4-5-10-17(2)20(23)15-13-18-14-16-21(24)19(18)11-8-6-7-9-12-22(25)26-3/h6,8,17-20,23H,4-5,7,9-12,14,16H2,1-3H3"	"WPNSDQNZGLPFNT-UHFFFAOYSA-N"	"?"
"1914"	"66839-97-2"			"OC1C=CC(=CC=1CN1CCCC1)C1C=CC=CC=1"	"InChI=1S/C17H19NO/c19-17-9-8-15(14-6-2-1-3-7-14)12-16(17)13-18-10-4-5-11-18/h1-3,6-9,12,19H,4-5,10-11,13H2"	"XQJLHCHLQCZANH-UHFFFAOYSA-N"	"?"
"1915"	"5748-26-5"			"CC(C)C(=O)N(C)C(=O)OC1=CC(=CC=C1)C(C)C"	"InChI=1S/C15H21NO3/c1-10(2)12-7-6-8-13(9-12)19-15(18)16(5)14(17)11(3)4/h6-11H,1-5H3"	"PNBLZGHZVYLIMX-UHFFFAOYSA-N"	"?"
"1916"	"2152-34-3"	"Pemoline"	"DTXSID3023427"	"NC1=NC(=O)C(O1)C1C=CC=CC=1"	"InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)"	"NRNCYVBFPDDJNE-UHFFFAOYSA-N"	"?"
"1917"	"2432-99-7"	"11-Aminoundecanoic acid"	"DTXSID5020077"	"NCCCCCCCCCCC(O)=O"	"InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)"	"GUOSQNAUYHMCRU-UHFFFAOYSA-N"	"?"
"1918"	"3468-11-9"	"1H-Isoindole-1,3(2H)-diimine"	"DTXSID0044658"	"N=C1NC(=N)C2C=CC=CC1=2"	"InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)"	"RZVCEPSDYHAHLX-UHFFFAOYSA-N"	"?"
"1919"	"98-94-2"	"N,N-Dimethylcyclohexylamine"	"DTXSID9026633"	"CN(C)C1CCCCC1"	"InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3"	"SVYKKECYCPFKGB-UHFFFAOYSA-N"	"?"
"1920"	"587-90-6"	"4,4'-Dinitrodiphenylurea"	"DTXSID0043761"	"[O-][N+](=O)C1C=CC(=CC=1)NC(=O)NC1C=CC(=CC=1)[N+]([O-])=O"	"InChI=1S/C13H10N4O5/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22/h1-8H,(H2,14,15,18)"	"JEZZOKXIXNSKQD-UHFFFAOYSA-N"	"?"
"1921"	"3775-85-7"			"CC1(COCCOCC2(C)CO2)CO1"	"InChI=1S/C10H18O4/c1-9(7-13-9)5-11-3-4-12-6-10(2)8-14-10/h3-8H2,1-2H3"	"BMSUMUHITJFMQX-UHFFFAOYSA-N"	"?"
"1922"	"56287-74-2"	"Afloqualone"	"DTXSID5022562"	"CC1C=CC=CC=1N1C(=O)C2C=C(N)C=CC=2N=C1CF"	"InChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3"	"VDOSWXIDETXFET-UHFFFAOYSA-N"	"?"
"1923"	"459-80-3"	"Geranic acid"	"DTXSID0047115"	"CC(C)=CCCC(C)=CC(O)=O"	"InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)"	"ZHYZQXUYZJNEHD-UHFFFAOYSA-N"	"?"
"1924"	"133-07-3"	"Folpet"	"DTXSID0021385"	"O=C1C2C=CC=CC=2C(=O)N1SC(Cl)(Cl)Cl"	"InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H"	"HKIOYBQGHSTUDB-UHFFFAOYSA-N"	"?"
"1925"	"54546-26-8"	"2-Butyl-4,4,6-trimethyl-1,3-dioxane"	"DTXSID0052205"	"CC1CC(C)(C)OC(CCCC)O1"	"InChI=1S/C11H22O2/c1-5-6-7-10-12-9(2)8-11(3,4)13-10/h9-10H,5-8H2,1-4H3"	"QUBNQDBPPTZYJL-UHFFFAOYSA-N"	"?"
"1926"	"845-52-3"	"2,4-Bis((3-methoxypropyl)amino)-6(methylthio)-s-triazine"	"DTXSID6041341"	"CSC1N=C(NCCCOC)N=C(NCCCOC)N=1"	"InChI=1S/C12H23N5O2S/c1-18-8-4-6-13-10-15-11(14-7-5-9-19-2)17-12(16-10)20-3/h4-9H2,1-3H3,(H2,13,14,15,16,17)"	"FBMDQVBGIYSDTI-UHFFFAOYSA-N"	"?"
"1927"	"1464-53-5"	"2,2'-Bioxirane"	"DTXSID0041307"	"C1OC1C1CO1"	"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2"	"ZFIVKAOQEXOYFY-UHFFFAOYSA-N"	"?"
"1928"	"1158978-65-4"	"4-(2,4-Dimethylheptan-3-yl)phenol"	"DTXSID60726855"	"CC(C)C(C(C)CCC)C1=CC=C(O)C=C1"	"InChI=1S/C15H24O/c1-5-6-12(4)15(11(2)3)13-7-9-14(16)10-8-13/h7-12,15-16H,5-6H2,1-4H3"	"KQABNOBNXAJBFQ-UHFFFAOYSA-N"	"?"
"1929"	"116763-36-1"	"Nestifylline"	"DTXSID40151505"	"CN1C(=O)C2=C(N=CN2CC2SCCS2)N(C)C1=O"	"InChI=1S/C11H14N4O2S2/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3"	"HIQUBRAKVZRBRW-UHFFFAOYSA-N"	"?"
"1930"	"105628-07-7"	"Fasudil hydrochloride"	"DTXSID1045615"	"O=S(=O)(C1=CC=CC2C=NC=CC=21)N1CCCNCC1"	"InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2"	"NGOGFTYYXHNFQH-UHFFFAOYSA-N"	"Cl"
"1931"	"2164-07-0"	"Endothal-dipotassium"	"DTXSID0034568"	"OC(=O)C1C(C2CCC1O2)C(O)=O"	"InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)"	"GXEKYRXVRROBEV-UHFFFAOYSA-N"	"[K+].[K+]"
"1932"	"68201-37-6"	"Octadecanoic acid, branched and linear"	"DTXSID0029424"	"CC(CCCC(O)=O)CCCCCC(CCCC)CC"	"InChI=1S/C18H36O2/c1-4-6-13-17(5-2)14-9-7-8-11-16(3)12-10-15-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)"	"DYGIZCLLGGJWQJ-UHFFFAOYSA-N"	"?"
"1933"	"3386-87-6"	"3,3'-(Ethylenedioxy)dipropiononitrile"	"DTXSID0044656"	"N#CCCOCCOCCC#N"	"InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2"	"VTHRQKSLPFJQHN-UHFFFAOYSA-N"	"?"
"1934"	"366-29-0"	"N,N,N',N'-Tetramethylbenzidine"	"DTXSID0036845"	"CN(C)C1C=CC(=CC=1)C1C=CC(=CC=1)N(C)C"	"InChI=1S/C16H20N2/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4/h5-12H,1-4H3"	"YRNWIFYIFSBPAU-UHFFFAOYSA-N"	"?"
"1935"	"35457-80-8"	"Midecamycin"	"DTXSID5045463"	"COC1C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(O)C=CC=CCC(C)OC(=O)CC1OC(=O)CC"	"InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3"	"DMUAPQTXSSNEDD-UHFFFAOYSA-N"	"?"
"1936"	"58774-82-6"			"CCOC1C=CC=CC=1OCC(O)CNCCNCC(O)COC1C=CC=CC=1OCC"	"InChI=1S/C24H36N2O6/c1-3-29-21-9-5-7-11-23(21)31-17-19(27)15-25-13-14-26-16-20(28)18-32-24-12-8-6-10-22(24)30-4-2/h5-12,19-20,25-28H,3-4,13-18H2,1-2H3"	"LQRWQSNUPPEVHA-UHFFFAOYSA-N"	"?"
"1937"	"85519-42-2"			"CC(CC)SP(=S)(OCC)N(CC)C=O"	"InChI=1S/C9H20NO2PS2/c1-5-9(4)15-13(14,12-7-3)10(6-2)8-11/h8-9H,5-7H2,1-4H3"	"OBZUTJUCLUGNMG-UHFFFAOYSA-N"	"?"
"1938"	"18328-90-0"	"N-Ethyl-2-methyl-2-propen-1-amine"	"DTXSID3027798"	"CCNCC(C)=C"	"InChI=1S/C6H13N/c1-4-7-5-6(2)3/h7H,2,4-5H2,1,3H3"	"AXTLFVLHXSDZOW-UHFFFAOYSA-N"	"?"
"1939"	"13713-13-8"			"C[N+](C)(C)CCC[N+]1(C)CC2C(C1)C1CCC2C=C1"	"InChI=1S/C17H32N2/c1-18(2,3)10-5-11-19(4)12-16-14-6-7-15(9-8-14)17(16)13-19/h6-7,14-17H,5,8-13H2,1-4H3/q+2"	"NZWSSBOXHYRFET-UHFFFAOYSA-N"	"[I-].[I-]"
"1940"	"85409-38-7"	"Rilmenidine phosphate"	"DTXSID50234616"	"C1COC(NC(C2CC2)C2CC2)=N1"	"InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)"	"CQXADFVORZEARL-UHFFFAOYSA-N"	"P(O)(O)(O)=O"
"1941"	"29560-58-5"	"Moricizine hydrochloride"	"DTXSID1047786"	"CCOC(=O)NC1C=CC2SC3C=CC=CC=3N(C=2C=1)C(=O)CCN1CCOCC1"	"InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)"	"FUBVWMNBEHXPSU-UHFFFAOYSA-N"	"Cl"
"1942"	"88-62-0"	"Benzenesulfonic acid, 2-amino-4-methyl-"	"DTXSID1058973"	"CC1C=CC(=C(N)C=1)S(O)(=O)=O"	"InChI=1S/C7H9NO3S/c1-5-2-3-7(6(8)4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)"	"FJHGMUDVUAXUEK-UHFFFAOYSA-N"	"?"
"1943"	"77-99-6"	"2-Ethyl-2-(hydroxymethyl)-1,3-propanediol"	"DTXSID2026448"	"CCC(CO)(CO)CO"	"InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3"	"ZJCCRDAZUWHFQH-UHFFFAOYSA-N"	"?"
"1944"	"97-39-2"	"1,3-Bis(2-methylphenyl)guanidine"	"DTXSID2026606"	"[H]/N=C(/NC1=CC=CC=C1C)\NC1C=CC=CC=1C"	"InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)"	"OPNUROKCUBTKLF-UHFFFAOYSA-N"	"?"
"1945"	"2969-87-1"	"Adipic acid, methyl vinyl ester"	"DTXSID40183846"	"COC(=O)CCCCC(=O)OC=C"	"InChI=1S/C9H14O4/c1-3-13-9(11)7-5-4-6-8(10)12-2/h3H,1,4-7H2,2H3"	"ABUZDQCQXDZFRG-UHFFFAOYSA-N"	"?"
"1946"	"2210-25-5"	"N-Isopropylacrylamide"	"DTXSID0033754"	"CC(C)NC(=O)C=C"	"InChI=1S/C6H11NO/c1-4-6(8)7-5(2)3/h4-5H,1H2,2-3H3,(H,7,8)"	"QNILTEGFHQSKFF-UHFFFAOYSA-N"	"?"
"1947"	"25307-17-9"	"Ethanol, 2,2'-(9-octadecen-1-ylimino)bis-"	"DTXSID40860105"	"CCCCCCCCC=CCCCCCCCCN(CCO)CCO"	"InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3"	"BITAPBDLHJQAID-UHFFFAOYSA-N"	"?"
"1948"	"59337-93-8"	"Methyl 3-sulfamoylthiophene-2-carboxylate"	"DTXSID0044490"	"COC(=O)C1SC=CC=1S(N)(=O)=O"	"InChI=1S/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)"	"PMXNPOJHBQDJKS-UHFFFAOYSA-N"	"?"
"1949"	"40596-69-8"	"Methoprene"	"DTXSID8032627"	"CC(C=CCC(C)CCCC(C)(C)OC)=CC(=O)OC(C)C"	"InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3"	"NFGXHKASABOEEW-UHFFFAOYSA-N"	"?"
"1950"	"71108-08-2"			"CC(C)(C)N=C1SC(C)(C)C(=NOC(=O)NC)S1"	"InChI=1S/C11H19N3O2S2/c1-10(2,3)13-9-17-7(11(4,5)18-9)14-16-8(15)12-6/h1-6H3,(H,12,15)"	"PWCSLGMJTZUQTA-UHFFFAOYSA-N"	"?"
"1951"	"61361-62-4"	"Ethanol, 2-(((2-ethoxy-5-nitrophenyl)methyl)amino)-"	"DTXSID10210279"	"CCOC1=CC=C(C=C1CNCCO)[N+]([O-])=O"	"InChI=1S/C11H16N2O4/c1-2-17-11-4-3-10(13(15)16)7-9(11)8-12-5-6-14/h3-4,7,12,14H,2,5-6,8H2,1H3"	"VMWFSQQDIYPLMZ-UHFFFAOYSA-N"	"?"
"1952"	"56683-54-6"	"(Z)-11-Hexadecen-1-ol"	"DTXSID0041191"	"CCCCC=CCCCCCCCCCCO"	"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,17H,2-4,7-16H2,1H3"	"RHVMNRHQWXIJIS-UHFFFAOYSA-N"	"?"
"1953"	"71108-04-8"			"CCN=C1SC(C)(C)C(=NOC(=O)NC)S1"	"InChI=1S/C9H15N3O2S2/c1-5-11-8-15-6(9(2,3)16-8)12-14-7(13)10-4/h5H2,1-4H3,(H,10,13)"	"ICEKSQYUFFHBHE-UHFFFAOYSA-N"	"?"
"1954"	"88475-69-8"	"Beraprost sodium"	"DTXSID2048585"	"CC(CC#CC)C(O)C=CC1C2C(CC1O)OC1C(CCCC(O)=O)=CC=CC=12"	"InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)"	"CTPOHARTNNSRSR-UHFFFAOYSA-N"	"[Na+]"
"1955"	"77-47-4"	"Hexachlorocyclopentadiene"	"DTXSID2020688"	"ClC1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl"	"InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8"	"VUNCWTMEJYMOOR-UHFFFAOYSA-N"	"?"
"1956"	"44860-68-6"	"2,2'-(Methanediyldisulfanediyl)diethanol"	"DTXSID0044945"	"OCCSCSCCO"	"InChI=1S/C5H12O2S2/c6-1-3-8-5-9-4-2-7/h6-7H,1-5H2"	"GAECBAMNQFGJIM-UHFFFAOYSA-N"	"?"
"1957"	"88-27-7"	"2,6-Di-tert-butyl-4-[(dimethylamino)methyl]phenol"	"DTXSID0044997"	"CC(C)(C)C1=CC(CN(C)C)=CC(=C1O)C(C)(C)C"	"InChI=1S/C17H29NO/c1-16(2,3)13-9-12(11-18(7)8)10-14(15(13)19)17(4,5)6/h9-10,19H,11H2,1-8H3"	"VMZVBRIIHDRYGK-UHFFFAOYSA-N"	"?"
"1958"	"146-54-3"	"Triflupromazine"	"DTXSID9023704"	"CN(C)CCCN1C2C=CC=CC=2SC2C=CC(=CC1=2)C(F)(F)F"	"InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3"	"XSCGXQMFQXDFCW-UHFFFAOYSA-N"	"?"
"1959"	"10143-54-1"			"N#CCCOCCOCCO"	"InChI=1S/C7H13NO3/c8-2-1-4-10-6-7-11-5-3-9/h9H,1,3-7H2"	"SMPHEDZQJBZERC-UHFFFAOYSA-N"	"?"
"1960"	"124-73-2"	"1,2-Dibromo-1,1,2,2-tetrafluoroethane"	"DTXSID0041226"	"FC(F)(Br)C(F)(F)Br"	"InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8"	"KVBKAPANDHPRDG-UHFFFAOYSA-N"	"?"
"1961"	"51200-87-4"	"4,4-Dimethyloxazolidine"	"DTXSID0032314"	"CC1(C)COCN1"	"InChI=1S/C5H11NO/c1-5(2)3-7-4-6-5/h6H,3-4H2,1-2H3"	"GUQMDNQYMMRJPY-UHFFFAOYSA-N"	"?"
"1962"	"3720-97-6"	"4,5-Dihydroxytetrahydro-2H-imidazol-2-one"	"DTXSID0052049"	"OC1NC(=O)NC1O"	"InChI=1S/C3H6N2O3/c6-1-2(7)5-3(8)4-1/h1-2,6-7H,(H2,4,5,8)"	"NNTWKXKLHMTGBU-UHFFFAOYSA-N"	"?"
"1963"	"115-76-4"	"Prenderol"	"DTXSID50150923"	"CCC(CO)(CO)CC"	"InChI=1S/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3"	"XRVCFZPJAHWYTB-UHFFFAOYSA-N"	"?"
"1964"	"93-99-2"	"Phenyl benzoate"	"DTXSID0048210"	"O=C(OC1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H"	"FCJSHPDYVMKCHI-UHFFFAOYSA-N"	"?"
"1965"	"66028-01-1"	"Benzene, 1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4-octyl-"	"DTXSID0028296"	"CCCCCCCCC1=CC=C(C=C1)OCCOCCOCCCl"	"InChI=1S/C20H33ClO3/c1-2-3-4-5-6-7-8-19-9-11-20(12-10-19)24-18-17-23-16-15-22-14-13-21/h9-12H,2-8,13-18H2,1H3"	"FKZRSAZGVZJHSV-UHFFFAOYSA-N"	"?"
"1966"	"1160-36-7"	"Benzoic acid, 4-(4-acetyl-3-iodophenoxy)-3,5-diiodo-"	"DTXSID60151264"	"CC(=O)C1C=CC(=CC=1I)OC1C(I)=CC(=CC=1I)C(O)=O"	"InChI=1S/C15H9I3O4/c1-7(19)10-3-2-9(6-11(10)16)22-14-12(17)4-8(15(20)21)5-13(14)18/h2-6H,1H3,(H,20,21)"	"ODLJOXGVKAAUFP-UHFFFAOYSA-N"	"?"
"1967"	"68155-33-9"	"Alkylamines, C14-18, ethoxylated"	"DTXSID0041937"	"CCOCCCCCCCCCCCCCCCCN"	"InChI=1S/C18H39NO/c1-2-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h2-19H2,1H3"	"AXZOBTMQDPADHW-UHFFFAOYSA-N"	"?"
"1968"	"41905-79-7"	"1H-Inden-1-one, 3-(acetyloxy)-2-(2,4,6-trimethylphenyl)-"	"DTXSID00194675"	"CC(=O)OC1=C(C2C(C)=CC(C)=CC=2C)C(=O)C2C=CC=CC=21"	"InChI=1S/C20H18O3/c1-11-9-12(2)17(13(3)10-11)18-19(22)15-7-5-6-8-16(15)20(18)23-14(4)21/h5-10H,1-4H3"	"CYSZMKSQBPQJOR-UHFFFAOYSA-N"	"?"
"1969"	"1422-26-0"	"Decanoic acid, 9-oxo-"	"DTXSID60161969"	"CC(=O)CCCCCCCC(O)=O"	"InChI=1S/C10H18O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2-8H2,1H3,(H,12,13)"	"BYFKKNYEIXWOQO-UHFFFAOYSA-N"	"?"
"1970"	"4335-77-7"			"OC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1"	"InChI=1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)"	"YTRNSQPXEDGWMR-UHFFFAOYSA-N"	"?"
"1971"	"23712-05-2"	"Fenmetozole hydrochloride"	"DTXSID40178378"	"ClC1=CC=C(C=C1Cl)OCC1NCCN=1"	"InChI=1S/C10H10Cl2N2O/c11-8-2-1-7(5-9(8)12)15-6-10-13-3-4-14-10/h1-2,5H,3-4,6H2,(H,13,14)"	"FVHAONUKSUFJKN-UHFFFAOYSA-N"	"Cl"
"1972"	"2302-25-2"	"1H-Imidazole, 4-bromo-"	"DTXSID50177574"	"BrC1=CN=CN1"	"InChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)"	"FHZALEJIENDROK-UHFFFAOYSA-N"	"?"
"1973"	"118-75-2"	"Chloranil"	"DTXSID2020266"	"O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl"	"InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11"	"UGNWTBMOAKPKBL-UHFFFAOYSA-N"	"?"
"1974"	"89427-34-9"	"Benzimidazole, 6,7-dibromo-4,5-dichloro-2-(trifluoromethyl)-"	"DTXSID00237692"	"FC(F)(F)C1NC2=C(N=1)C(Cl)=C(Cl)C(Br)=C2Br"	"InChI=1S/C8HBr2Cl2F3N2/c9-1-2(10)5-6(4(12)3(1)11)17-7(16-5)8(13,14)15/h(H,16,17)"	"DOLFLKHOXRDYEZ-UHFFFAOYSA-N"	"?"
"1975"	"98816-32-1"	"N-Hydroxymethyl-3-methylpyrazole"	"DTXSID90243828"	"CC1C=CN(CO)N=1"	"InChI=1S/C5H8N2O/c1-5-2-3-7(4-8)6-5/h2-3,8H,4H2,1H3"	"WXHDUCRTLZRAEA-UHFFFAOYSA-N"	"?"
"1976"	"611-70-1"	"Isopropyl phenyl ketone"	"DTXSID6048202"	"CC(C)C(=O)C1C=CC=CC=1"	"InChI=1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3"	"BSMGLVDZZMBWQB-UHFFFAOYSA-N"	"?"
"1977"	"22204-87-1"	"CL 71366"	"DTXSID00176754"	"CN(C)CCCN1CCN(CC1)C1=CC=C(C=C1)OC"	"InChI=1S/C16H27N3O/c1-17(2)9-4-10-18-11-13-19(14-12-18)15-5-7-16(20-3)8-6-15/h5-8H,4,9-14H2,1-3H3"	"MOYBVKHVBFCEQA-UHFFFAOYSA-N"	"Cl.Cl"
"1978"	"13522-00-4"	"Pyrazine, 2-methyl-3-piperidino-, monohydrochloride"	"DTXSID20159281"	"CC1=NC=CN=C1N1CCCCC1"	"InChI=1S/C10H15N3/c1-9-10(12-6-5-11-9)13-7-3-2-4-8-13/h5-6H,2-4,7-8H2,1H3"	"BJHCGMHPEKLROM-UHFFFAOYSA-N"	"Cl"
"1979"	"3309-77-1"			"CC(=CC(=O)OCC1C=CC(Cl)=CC=1)OP(=O)(OC)OC"	"InChI=1S/C13H16ClO6P/c1-10(20-21(16,17-2)18-3)8-13(15)19-9-11-4-6-12(14)7-5-11/h4-8H,9H2,1-3H3"	"WQDBGIDCNHONNW-UHFFFAOYSA-N"	"?"
"1980"	"112964-99-5"			"NC1C2C(O)CCCC=2N=C2C=CC=CC2=1"	"InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)"	"HLVVITIHAZBPKB-UHFFFAOYSA-N"	"C(=C/C(=O)O)/C(=O)O"
"1981"	"1838-88-6"	"2-Methylpent-2-en-1-yl acetate"	"DTXSID0051817"	"CCC=C(C)COC(C)=O"	"InChI=1S/C8H14O2/c1-4-5-7(2)6-10-8(3)9/h5H,4,6H2,1-3H3"	"SLNZJIRRMLAZEY-UHFFFAOYSA-N"	"?"
"1982"	"5117-12-4"	"1-(Morpholin-4-yl)prop-2-en-1-one"	"DTXSID0044947"	"C=CC(=O)N1CCOCC1"	"InChI=1S/C7H11NO2/c1-2-7(9)8-3-5-10-6-4-8/h2H,1,3-6H2"	"XLPJNCYCZORXHG-UHFFFAOYSA-N"	"?"
"1983"	"98-03-3"	"Thiophene-2-carbaldehyde"	"DTXSID7052656"	"O=CC1=CC=CS1"	"InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H"	"CNUDBTRUORMMPA-UHFFFAOYSA-N"	"?"
"1984"	"306-94-5"	"Perflunafene"	"DTXSID0046511"	"FC1(F)C2(F)C(F)(C(F)(F)C(F)(F)C1(F)F)C(F)(F)C(F)(F)C(F)(F)C2(F)F"	"InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16"	"UWEYRJFJVCLAGH-UHFFFAOYSA-N"	"?"
"1985"	"68334-55-4"	"1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-(tridecyloxy)-, chloride"	"DTXSID0049440"	"CCCCCCCCCCCCCOCC(O)C[N+](C)(C)C"	"InChI=1S/C19H42NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20(2,3)4/h19,21H,5-18H2,1-4H3/q+1"	"LDGWAIFVWDLYCF-UHFFFAOYSA-N"	"[Cl-]"
"1986"	"75625-99-9"			"CC(C)=CC1=CC=C(C=C1)C(C)C(O)=O"	"InChI=1S/C13H16O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-8,10H,1-3H3,(H,14,15)"	"WYUJTWQSJJRVIG-UHFFFAOYSA-N"	"?"
"1987"	"3100-36-5"	"8-Cyclohexadecen-1-one"	"DTXSID0051994"	"O=C1CCCCCCCC=CCCCCCC1 |t:9|"	"InChI=1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-2H,3-15H2/b2-1+"	"ZGEHHVDYDNXYMW-OWOJBTEDSA-N"	"?"
"1988"	"1852-04-6"	"Undecanedioic acid"	"DTXSID0044862"	"OC(=O)CCCCCCCCCC(O)=O"	"InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)"	"LWBHHRRTOZQPDM-UHFFFAOYSA-N"	"?"
"1989"	"1192-62-7"	"2-Acetylfuran"	"DTXSID0051601"	"CC(=O)C1=CC=CO1"	"InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3"	"IEMMBWWQXVXBEU-UHFFFAOYSA-N"	"?"
"1990"	"144-02-5"	"Sodium barbital"	"DTXSID3020128"	"CCC1(CC)C(=O)NC(O)=NC1=O"	"InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)"	"FTOAOBMCPZCFFF-UHFFFAOYSA-N"	"[Na+]"
"1991"	"116126-82-0"	"Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-exo,3-endo)-"	"DTXSID0051316"	"CC(C)C1C2CC(C=C2)C1C(=O)OCC"	"InChI=1S/C13H20O2/c1-4-15-13(14)12-10-6-5-9(7-10)11(12)8(2)3/h5-6,8-12H,4,7H2,1-3H3"	"HJEFAEQTNTXLHL-UHFFFAOYSA-N"	"?"
"1992"	"125-46-2"	"Usnic acid"	"DTXSID0040123"	"CC(=O)C1C2OC3=CC(=O)C(C(=O)C3(C)C=2C(O)=C(C)C=1O)C(C)=O"	"InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3"	"CUCUKLJLRRAKFN-UHFFFAOYSA-N"	"?"
"1993"	"13791-92-9"			"CC1C=C(Cl)C=CC=1OC(C)C(=O)N(C)C"	"InChI=1S/C12H16ClNO2/c1-8-7-10(13)5-6-11(8)16-9(2)12(15)14(3)4/h5-7,9H,1-4H3"	"OKCMWDCQCIAGAQ-UHFFFAOYSA-N"	"?"
"1994"	"312-73-2"	"1H-Benzimidazole, 2-(trifluoromethyl)- (9CI)"	"DTXSID00185129"	"FC(F)(F)C1NC2C=CC=CC=2N=1"	"InChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)"	"MXFMPTXDHSDMTI-UHFFFAOYSA-N"	"?"
"1995"	"551-11-1"	"Dinoprost"	"DTXSID9022946"	"CCCCCC(O)C=CC1C(CC=CCCCC(O)=O)C(O)CC1O"	"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)"	"PXGPLTODNUVGFL-UHFFFAOYSA-N"	"?"
"1996"	"5675-31-0"	"2-Fluoro-2-propen-1-ol"	"DTXSID70205308"	"C=C(F)CO"	"InChI=1S/C3H5FO/c1-3(4)2-5/h5H,1-2H2"	"XEIHLEMBJXRLEI-UHFFFAOYSA-N"	"?"
"1997"	"51-21-8"	"5-Fluorouracil"	"DTXSID2020634"	"O=C1NC=C(F)C(=O)N1"	"InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)"	"GHASVSINZRGABV-UHFFFAOYSA-N"	"?"
"1998"	"67485-29-4"	"Hydramethylnon"	"DTXSID6023868"	"CC1(C)CNC(NC1)=NN=C(C=CC1C=CC(=CC=1)C(F)(F)F)C=CC1C=CC(=CC=1)C(F)(F)F"	"InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)"	"IQVNEKKDSLOHHK-UHFFFAOYSA-N"	"?"
"1999"	"927-07-1"	"Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester"	"DTXSID2027339"	"CC(C)(C)OOC(=O)C(C)(C)C"	"InChI=1S/C9H18O3/c1-8(2,3)7(10)11-12-9(4,5)6/h1-6H3"	"OPQYOFWUFGEMRZ-UHFFFAOYSA-N"	"?"
"2000"	"647-42-7"	"3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol"	"DTXSID5044572"	"OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2"	"GRJRKPMIRMSBNK-UHFFFAOYSA-N"	"?"
"2001"	"1516-74-1"	"1H-Benzimidazole, 2-azido-"	"DTXSID0061745"	"[N-]=[N+]=NC1NC2=CC=CC=C2N=1"	"InChI=1S/C7H5N5/c8-12-11-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)"	"CFRSLTHRDZOACJ-UHFFFAOYSA-N"	"?"
"2002"	"34314-63-1"	"3-Oxauracil"	"DTXSID30187878"	"O=C1C=CNC(=O)O1"	"InChI=1S/C4H3NO3/c6-3-1-2-5-4(7)8-3/h1-2H,(H,5,7)"	"WQAIPNTUCFSZRZ-UHFFFAOYSA-N"	"?"
"2003"	"72-43-5"	"Methoxychlor"	"DTXSID9020827"	"COC1C=CC(=CC=1)C(C1C=CC(=CC=1)OC)C(Cl)(Cl)Cl"	"InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3"	"IAKOZHOLGAGEJT-UHFFFAOYSA-N"	"?"
"2004"	"137-18-8"	"2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl-"	"DTXSID0059669"	"CC1=CC(=O)C(C)=CC1=O"	"InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3"	"MYKLQMNSFPAPLZ-UHFFFAOYSA-N"	"?"
"2005"	"599-67-7"	"Benzenemethanol, .alpha.-methyl-.alpha.-phenyl-"	"DTXSID0060519"	"CC(O)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C14H14O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3"	"GIMDPFBLSKQRNP-UHFFFAOYSA-N"	"?"
"2006"	"818-61-1"	"2-Hydroxyethyl acrylate"	"DTXSID2022123"	"C=CC(=O)OCCO"	"InChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2"	"OMIGHNLMNHATMP-UHFFFAOYSA-N"	"?"
"2007"	"311-28-4"	"1-Butanaminium, N,N,N-tributyl-, iodide"	"DTXSID30878092"	"CCCC[N+](CCCC)(CCCC)CCCC"	"InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1"	"DZLFLBLQUQXARW-UHFFFAOYSA-N"	"[I-]"
"2008"	"142-88-1"	"Piperazine adipate (1:1)"	"DTXSID2059724"	"OC(=O)CCCCC(O)=O"	"InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)"	"WNLRTRBMVRJNCN-UHFFFAOYSA-N"	"N1CCNCC1"
"2009"	"24307-26-4"	"Mepiquat chloride"	"DTXSID1024170"	"C[N+]1(C)CCCCC1"	"InChI=1S/C7H16N/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3/q+1"	"NNCAWEWCFVZOGF-UHFFFAOYSA-N"	"[Cl-]"
"2010"	"1612-64-2"	"2-[p-(Dimethylamino)styryl]quinoline"	"DTXSID0061820"	"CN(C)C1C=CC(C=CC2C=CC3=CC=CC=C3N=2)=CC=1"	"InChI=1S/C19H18N2/c1-21(2)18-13-8-15(9-14-18)7-11-17-12-10-16-5-3-4-6-19(16)20-17/h3-14H,1-2H3"	"YMIKUHVSRFHPOP-UHFFFAOYSA-N"	"?"
"2011"	"619-08-9"	"Phenol, 2-chloro-4-nitro-"	"DTXSID0060694"	"[O-][N+](=O)C1C=CC(O)=C(Cl)C=1"	"InChI=1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H"	"BOFRXDMCQRTGII-UHFFFAOYSA-N"	"?"
"2012"	"3765-57-9"	"Glenbar"	"DTXSID70191075"	"COC(=O)C1C(Cl)=C(Cl)C(=C(Cl)C=1Cl)C(=O)SC"	"InChI=1S/C10H6Cl4O3S/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3"	"KNDXZFMNQKSIHU-UHFFFAOYSA-N"	"?"
"2013"	"33386-08-2"	"Buspirone hydrochloride"	"DTXSID1037193"	"O=C1CC2(CC(=O)N1CCCCN1CCN(CC1)C1N=CC=CN=1)CCCC2"	"InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2"	"QWCRAEMEVRGPNT-UHFFFAOYSA-N"	"Cl"
"2014"	"6554-82-1"			"CCOP(=S)(OCC)SC1CSCC1"	"InChI=1S/C8H17O2PS3/c1-3-9-11(12,10-4-2)14-8-5-6-13-7-8/h8H,3-7H2,1-2H3"	"KJZINSQBEHIGQZ-UHFFFAOYSA-N"	"?"
"2015"	"583-03-9"	"Fenipentol"	"DTXSID4046818"	"CCCCC(O)C1C=CC=CC=1"	"InChI=1S/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3"	"OVGORFFCBUIFIA-UHFFFAOYSA-N"	"?"
"2016"	"81-78-7"	"Benzoic acid, 2,2'-[(9,10-dihydro-9,10-dioxo-1,5-anthracenediyl)diimino]bis-"	"DTXSID0058855"	"OC(=O)C1C=CC=CC=1NC1=CC=CC2=C1C(=O)C1=CC=CC(NC3C=CC=CC=3C(O)=O)=C1C2=O"	"InChI=1S/C28H18N2O6/c31-25-18-10-6-14-22(30-20-12-4-2-8-16(20)28(35)36)24(18)26(32)17-9-5-13-21(23(17)25)29-19-11-3-1-7-15(19)27(33)34/h1-14,29-30H,(H,33,34)(H,35,36)"	"VBKQODJWSGDGNQ-UHFFFAOYSA-N"	"?"
"2017"	"68480-05-7"	"6-(2,2,3-Trimethylcyclopent-3-en-1-yl) hex-5-en-3-ol"	"DTXSID0052411"	"CCC(O)CC=CC1CC=C(C)C1(C)C"	"InChI=1S/C14H24O/c1-5-13(15)8-6-7-12-10-9-11(2)14(12,3)4/h6-7,9,12-13,15H,5,8,10H2,1-4H3"	"ZCPKYSNRVOTPBB-UHFFFAOYSA-N"	"?"
"2018"	"95-22-7"	"Benzenamine, 4-(6-methyl[2,6'-bibenzothiazol]-2'-yl)-"	"DTXSID0059118"	"CC1C=C2SC(=NC2=CC=1)C1C=C2SC(=NC2=CC=1)C1C=CC(N)=CC=1"	"InChI=1S/C21H15N3S2/c1-12-2-8-16-18(10-12)25-21(24-16)14-5-9-17-19(11-14)26-20(23-17)13-3-6-15(22)7-4-13/h2-11H,22H2,1H3"	"YLEIZZYNXHCGKG-UHFFFAOYSA-N"	"?"
"2019"	"89-41-8"	"Benzoic acid, 4-methoxy-3-nitro-"	"DTXSID0058988"	"COC1=CC=C(C=C1[N+]([O-])=O)C(O)=O"	"InChI=1S/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)"	"ANXBDAFDZSXOPQ-UHFFFAOYSA-N"	"?"
"2020"	"64245-83-6"	"2,2-Propanediamine, N,N,N',N'-tetrafluoro-1,3-bis(2-fluoro-2,2-dinitroethoxy)-"	"DTXSID6070065"	"[O-][N+](=O)C(F)(COCC(COCC(F)([N+]([O-])=O)[N+]([O-])=O)(N(F)F)N(F)F)[N+]([O-])=O"	"InChI=1S/C7H8F6N6O10/c8-6(16(20)21,17(22)23)3-28-1-5(14(10)11,15(12)13)2-29-4-7(9,18(24)25)19(26)27/h1-4H2"	"RPDFNWYMPMQRQO-UHFFFAOYSA-N"	"?"
"2021"	"638-41-5"	"Carbonochloridic acid, pentyl ester"	"DTXSID0060933"	"CCCCCOC(=O)Cl"	"InChI=1S/C6H11ClO2/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3"	"XHRRYUDVWPPWIP-UHFFFAOYSA-N"	"?"
"2022"	"636-21-5"	"2-Methylaniline hydrochloride"	"DTXSID7021364"	"CC1C=CC=CC=1N"	"InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3"	"RNVCVTLRINQCPJ-UHFFFAOYSA-N"	"Cl"
"2023"	"2050-01-3"	"Isopentyl isobutyrate"	"DTXSID0062131"	"CC(C)CCOC(=O)C(C)C"	"InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3"	"VFTGLSWXJMRZNB-UHFFFAOYSA-N"	"?"
"2024"	"64037-31-6"	"2-Benzoxazolinone, 4,5,7-trichloro-"	"DTXSID10214050"	"O=C1NC2=C(O1)C(Cl)=CC(Cl)=C2Cl"	"InChI=1S/C7H2Cl3NO2/c8-2-1-3(9)6-5(4(2)10)11-7(12)13-6/h1H,(H,11,12)"	"DEUSSOTUEGORRC-UHFFFAOYSA-N"	"?"
"2025"	"2833-85-4"	"ENT 27360"	"DTXSID80182570"	"CC(C)N(OC)C(=O)CSP(=S)(OC)OC"	"InChI=1S/C8H18NO4PS2/c1-7(2)9(11-3)8(10)6-16-14(15,12-4)13-5/h7H,6H2,1-5H3"	"UOGTWQOXQJLFEG-UHFFFAOYSA-N"	"?"
"2026"	"936-52-7"	"Morpholine, 4-(1-cyclopenten-1-yl)-"	"DTXSID0061323"	"C1CCC(=C1)N1CCOCC1"	"InChI=1S/C9H15NO/c1-2-4-9(3-1)10-5-7-11-8-6-10/h3H,1-2,4-8H2"	"VAPOFMGACKUWCI-UHFFFAOYSA-N"	"?"
"2027"	"29171-77-5"			"CS(=O)(=O)OCC1OC1C1OC1COS(C)(=O)=O"	"InChI=1S/C8H14O8S2/c1-17(9,10)13-3-5-7(15-5)8-6(16-8)4-14-18(2,11)12/h5-8H,3-4H2,1-2H3"	"MFJOKRDJJGVHTE-UHFFFAOYSA-N"	"?"
"2028"	"2761-24-2"	"Triethoxypentylsilane"	"DTXSID1042491"	"CCCCC[Si](OCC)(OCC)OCC"	"InChI=1S/C11H26O3Si/c1-5-9-10-11-15(12-6-2,13-7-3)14-8-4/h5-11H2,1-4H3"	"FHVAUDREWWXPRW-UHFFFAOYSA-N"	"?"
"2029"	"78-71-7"	"3,3-Bis(chloromethyl)oxetane"	"DTXSID9058816"	"ClCC1(COC1)CCl"	"InChI=1S/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2"	"CXURGFRDGROIKG-UHFFFAOYSA-N"	"?"
"2030"	"6728-26-3"	"(2E)-2-Hexenal"	"DTXSID1041425"	"CCCC=CC=O"	"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3"	"MBDOYVRWFFCFHM-UHFFFAOYSA-N"	"?"
"2031"	"764-99-8"	"{2-[2-(Ethenyloxy)ethoxy]ethoxy}ethene"	"DTXSID6044985"	"C=COCCOCCOC=C"	"InChI=1S/C8H14O3/c1-3-9-5-7-11-8-6-10-4-2/h3-4H,1-2,5-8H2"	"SAMJGBVVQUEMGC-UHFFFAOYSA-N"	"?"
"2032"	"5954-90-5"			"CP(=S)(OC1C=CC(=CC=1)C#N)OC1C=CC=CC=1"	"InChI=1S/C14H12NO2PS/c1-18(19,16-13-5-3-2-4-6-13)17-14-9-7-12(11-15)8-10-14/h2-10H,1H3"	"WVLHBTMVPFIQTG-UHFFFAOYSA-N"	"?"
"2033"	"98-80-6"	"Boronic acid, phenyl-"	"DTXSID9059179"	"OB(O)C1C=CC=CC=1"	"InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H"	"HXITXNWTGFUOAU-UHFFFAOYSA-N"	"?"
"2034"	"19032-53-2"			"CCCCCCCCC[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1"	"InChI=1S/C26H40NO4/c1-3-4-5-6-7-8-12-15-27(2)22-16-20(17-23(27)25-24(22)31-25)30-26(29)21(18-28)19-13-10-9-11-14-19/h9-11,13-14,20-25,28H,3-8,12,15-18H2,1-2H3/q+1"	"YUTPPIHTSBMJOT-UHFFFAOYSA-N"	"COS(=O)(=O)[O-]"
"2035"	"79-20-9"	"Methyl acetate"	"DTXSID4021767"	"COC(C)=O"	"InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3"	"KXKVLQRXCPHEJC-UHFFFAOYSA-N"	"?"
"2036"	"685-91-6"	"Diethylacetamide"	"DTXSID9020459"	"CC(=O)N(CC)CC"	"InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3"	"AJFDBNQQDYLMJN-UHFFFAOYSA-N"	"?"
"2037"	"3103-38-6"	"Glycine, N-(1,3-dioxobutyl)-"	"DTXSID0062846"	"CC(=O)CC(=O)NCC(O)=O"	"InChI=1S/C6H9NO4/c1-4(8)2-5(9)7-3-6(10)11/h2-3H2,1H3,(H,7,9)(H,10,11)"	"YFMZKFTUZNTQHV-UHFFFAOYSA-N"	"?"
"2038"	"105-81-7"	"N-(2-Hydroxyethyl)-N'-allylthiourea"	"DTXSID0059324"	"C=CC/N=C(\S)/NCCO"	"InChI=1S/C6H12N2OS/c1-2-3-7-6(10)8-4-5-9/h2,9H,1,3-5H2,(H2,7,8,10)"	"VUVPNTYTOUGMDG-UHFFFAOYSA-N"	"?"
"2039"	"10058-07-8"	"Pimefylline nicotinate"	"DTXSID90143399"	"CN1C2N=CN(CCNCC3C=NC=CC=3)C=2C(=O)N(C)C1=O"	"InChI=1S/C15H18N6O2/c1-19-13-12(14(22)20(2)15(19)23)21(10-18-13)7-6-17-9-11-4-3-5-16-8-11/h3-5,8,10,17H,6-7,9H2,1-2H3"	"CDHVRXOLGDSJGX-UHFFFAOYSA-N"	"OC(=O)C1C=CC=NC=1"
"2040"	"59230-57-8"	"4-Isopropylbenzyl acetate"	"DTXSID0052259"	"CC(=O)OCC1=CC=C(C=C1)C(C)C"	"InChI=1S/C12H16O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3"	"QBCRVYRADYXNOW-UHFFFAOYSA-N"	"?"
"2041"	"22199-72-0"			"CC1OC(CO1)CN(C)C"	"InChI=1S/C7H15NO2/c1-6-9-5-7(10-6)4-8(2)3/h6-7H,4-5H2,1-3H3"	"KHUCQBZVGWVHNJ-UHFFFAOYSA-N"	"C(=C/C(=O)O)/C(=O)O"
"2042"	"17243-39-9"	"Benzoctamine"	"DTXSID4022654"	"CNCC12CCC(C3=CC=CC=C13)C1C=CC=CC2=1"	"InChI=1S/C18H19N/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18/h2-9,13,19H,10-12H2,1H3"	"GNRXCIONJWKSEA-UHFFFAOYSA-N"	"?"
"2043"	"547-66-0"	"Magnesium, [ethanedioato(2-)-.kappa.O1,.kappa.O2]-"	"DTXSID0060276"	"OC(=O)C(O)=O"	"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)"	"MUBZPKHOEPUJKR-UHFFFAOYSA-N"	"[Mg+2]"
"2044"	"7247-57-6"			"C[N+]1(C)CC(CC1)OC(=O)C(O)(C1=CC=CS1)C1C=CC=CC=1"	"InChI=1S/C18H22NO3S/c1-19(2)11-10-15(13-19)22-17(20)18(21,16-9-6-12-23-16)14-7-4-3-5-8-14/h3-9,12,15,21H,10-11,13H2,1-2H3/q+1"	"IGWCFPFGZULDHY-UHFFFAOYSA-N"	"[Br-]"
"2045"	"54063-25-1"			"CC(CC)NCC(O)C1C=CC(N)=CC=1"	"InChI=1S/C12H20N2O/c1-3-9(2)14-8-12(15)10-4-6-11(13)7-5-10/h4-7,9,12,14-15H,3,8,13H2,1-2H3"	"UWYLQWLJGMLJQF-UHFFFAOYSA-N"	"?"
"2046"	"95-03-4"	"Benzenamine, 5-chloro-2-methoxy-"	"DTXSID0059116"	"COC1C=CC(Cl)=CC=1N"	"InChI=1S/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3"	"WBSMIPLNPSCJFS-UHFFFAOYSA-N"	"?"
"2047"	"16726-46-8"			"OCCOCCN1CCN(CCOC(C2=CC=C(Cl)C=C2)C2C=CC=CC=2)CC1"	"InChI=1S/C23H31ClN2O3/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)29-18-15-26-12-10-25(11-13-26)14-17-28-19-16-27/h1-9,23,27H,10-19H2"	"WYAFTWOVSUXOHX-UHFFFAOYSA-N"	"Cl.Cl"
"2048"	"538-02-3"			"CC(CC1CCCC1)NC"	"InChI=1S/C9H19N/c1-8(10-2)7-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3"	"HFXKQSZZZPGLKQ-UHFFFAOYSA-N"	"Cl"
"2049"	"628-55-7"	"Propane, 1,1'-oxybis[2-methyl-"	"DTXSID0060856"	"CC(C)COCC(C)C"	"InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3"	"SZNYYWIUQFZLLT-UHFFFAOYSA-N"	"?"
"2050"	"105-84-0"	"1,2-Ethanediamine, N,N'-dimethyl-N-[2-(methylamino)ethyl]-"	"DTXSID0059326"	"CN(CCNC)CCNC"	"InChI=1S/C7H19N3/c1-8-4-6-10(3)7-5-9-2/h8-9H,4-7H2,1-3H3"	"ODZZIKZQNODXFS-UHFFFAOYSA-N"	"?"
"2051"	"598-54-9"	"Acetic acid, copper(1+) salt"	"DTXSID0060511"	"CC(O)=O"	"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)"	"QTBSBXVTEAMEQO-UHFFFAOYSA-N"	"[Cu+]"
"2052"	"69563-88-8"	"Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-"	"DTXSID3071987"	"NC1C=CC(=CC=1)OC1C=CC(=CC=1)C(C1C=CC(=CC=1)OC1C=CC(N)=CC=1)(C(F)(F)F)C(F)(F)F"	"InChI=1S/C27H20F6N2O2/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24/h1-16H,34-35H2"	"HHLMWQDRYZAENA-UHFFFAOYSA-N"	"?"
"2053"	"706-79-6"	"Cyclopentene, 1,2-dichloro-3,3,4,4,5,5-hexafluoro-"	"DTXSID0061038"	"FC1(F)C(F)(F)C(Cl)=C(Cl)C1(F)F"	"InChI=1S/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)9"	"ABPBVCKGWWGZDP-UHFFFAOYSA-N"	"?"
"2054"	"36364-49-5"	"Imidazole salicylate"	"DTXSID80189887"	"OC1C=CC=CC=1C(O)=O"	"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)"	"YGSDEFSMJLZEOE-UHFFFAOYSA-N"	"N1C=CN=C1"
"2055"	"88-10-8"	"Diethylcarbamoyl chloride"	"DTXSID0052598"	"CCN(CC)C(=O)Cl"	"InChI=1S/C5H10ClNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3"	"OFCCYDUUBNUJIB-UHFFFAOYSA-N"	"?"
"2056"	"125-12-2"	"Isobornyl acetate"	"DTXSID7042061"	"CC1(C)C2CC(OC(C)=O)C1(C)CC2"	"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3"	"KGEKLUUHTZCSIP-UHFFFAOYSA-N"	"?"
"2057"	"5221-53-4"	"Dimethirimol"	"DTXSID8041874"	"CC1=NC(=NC(O)=C1CCCC)N(C)C"	"InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)"	"CJHXCRMKMMBYJQ-UHFFFAOYSA-N"	"?"
"2058"	"306-67-2"	"Spermine tetrahydrochloride"	"DTXSID0059792"	"NCCCNCCCCNCCCN"	"InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2"	"PFNFFQXMRSDOHW-UHFFFAOYSA-N"	"Cl.Cl.Cl"
"2059"	"1122-81-2"	"4-Propylpyridine"	"DTXSID0061531"	"CCCC1C=CN=CC=1"	"InChI=1S/C8H11N/c1-2-3-8-4-6-9-7-5-8/h4-7H,2-3H2,1H3"	"JAWZAONCXMJLFT-UHFFFAOYSA-N"	"?"
"2060"	"23757-42-8"	"Midaflur"	"DTXSID50178425"	"NC1=CC(NC1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F"	"InChI=1S/C8H4F12N2/c9-5(10,11)3(6(12,13)14)1-2(21)4(22-3,7(15,16)17)8(18,19)20/h1,22H,21H2"	"UODIMZBRRYXRQZ-UHFFFAOYSA-N"	"?"
"2061"	"95719-26-9"			"OC(C1CCCCC1)C1C=CC=CC=1"	"InChI=1S/C13H18O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-14H,2,5-6,9-10H2"	"QDYKZBKCLHBUHU-UHFFFAOYSA-N"	"?"
"2062"	"3566-10-7"	"Ambam"	"DTXSID0058067"	"SC(S)=NCCN=C(S)S"	"InChI=1S/C4H8N2S4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H2,5,7,8)(H2,6,9,10)"	"AWYFNIZYMPNGAI-UHFFFAOYSA-N"	"N.N"
"2063"	"102-79-4"	"N-Butyldiethanolamine"	"DTXSID1044354"	"CCCCN(CCO)CCO"	"InChI=1S/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3"	"GVNHOISKXMSMPX-UHFFFAOYSA-N"	"?"
"2064"	"1623-95-6"	"Benzoyl chloride, 4-phenoxy-"	"DTXSID0061828"	"O=C(Cl)C1C=CC(=CC=1)OC1C=CC=CC=1"	"InChI=1S/C13H9ClO2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H"	"AOOZVQGGMFGGEE-UHFFFAOYSA-N"	"?"
"2065"	"69579-13-1"			"CC(CC(=O)OC(C)(C)C)N=NC1=CC=C(N=N1)N1CCOCC1"	"InChI=1S/C16H25N5O3/c1-12(11-15(22)24-16(2,3)4)17-18-13-5-6-14(20-19-13)21-7-9-23-10-8-21/h5-6,12H,7-11H2,1-4H3"	"PQVYAEYQHUVFQC-UHFFFAOYSA-N"	"?"
"2066"	"117-39-5"	"Quercetin"	"DTXSID4021218"	"OC1C=C(O)C2C(=O)C(O)=C(OC=2C=1)C1=CC(O)=C(O)C=C1"	"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H"	"REFJWTPEDVJJIY-UHFFFAOYSA-N"	"?"
"2067"	"29128-69-6"			"CN1CC(CC1)/C=C1\C2=CC=CC=C2CCC2C=CC=CC=2\1"	"InChI=1S/C21H23N/c1-22-13-12-16(15-22)14-21-19-8-4-2-6-17(19)10-11-18-7-3-5-9-20(18)21/h2-9,14,16H,10-13,15H2,1H3"	"XGTMDFMSBGZUBR-UHFFFAOYSA-N"	"?"
"2068"	"531-02-2"	"[1,1'-Biphenyl]-3,3',5,5'-tetrol"	"DTXSID0060195"	"OC1=CC(O)=CC(=C1)C1=CC(O)=CC(O)=C1"	"InChI=1S/C12H10O4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6,13-16H"	"VZLUGGCFYPMLMI-UHFFFAOYSA-N"	"?"
"2069"	"56388-46-6"	"1-Tetradecylnaphthalene"	"DTXSID00559886"	"CCCCCCCCCCCCCCC1=CC=CC2=CC=CC=C21"	"InChI=1S/C24H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-19-16-20-23-18-14-15-21-24(22)23/h14-16,18-21H,2-13,17H2,1H3"	"QVGRUGAWUACWGZ-UHFFFAOYSA-N"	"?"
"2070"	"6425-41-8"	"Morpholine, 4-cyclohexyl-"	"DTXSID30214471"	"C1CN(CCO1)C1CCCCC1"	"InChI=1S/C10H19NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h10H,1-9H2"	"BRKHZWFIIVVNTA-UHFFFAOYSA-N"	"?"
"2071"	"2050-72-8"	"1,6-Dichloronaphthalene"	"DTXSID0062137"	"ClC1C=CC=C2C=C(Cl)C=CC=12"	"InChI=1S/C10H6Cl2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6H"	"CEDZMDSZTVUPSP-UHFFFAOYSA-N"	"?"
"2072"	"68844-97-3"	"3,4-Dimethyl-benzeneacetaldehyde"	"DTXSID0052673"	"CC1=CC(CC=O)=CC=C1C"	"InChI=1S/C10H12O/c1-8-3-4-10(5-6-11)7-9(8)2/h3-4,6-7H,5H2,1-2H3"	"ZEDGDXNOJMGMMM-UHFFFAOYSA-N"	"?"
"2073"	"10126-87-1"	"[2,2'-Bibenzo[b]thiophene]-3,3'-diol, 6,6'-diethoxy-, bis(hydrogen sulfate), disodium salt"	"DTXSID1064956"	"CCOC1C=C2SC(C3SC4C=C(C=CC=4C=3OS(O)(=O)=O)OCC)=C(OS(O)(=O)=O)C2=CC=1"	"InChI=1S/C20H18O10S4/c1-3-27-11-5-7-13-15(9-11)31-19(17(13)29-33(21,22)23)20-18(30-34(24,25)26)14-8-6-12(28-4-2)10-16(14)32-20/h5-10H,3-4H2,1-2H3,(H,21,22,23)(H,24,25,26)"	"LWIBJTRLGQMGLB-UHFFFAOYSA-N"	"[Na+].[Na+]"
"2074"	"873-97-2"	"1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide"	"DTXSID0061242"	"CC1(C)COP(C)(=O)OC1"	"InChI=1S/C6H13O3P/c1-6(2)4-8-10(3,7)9-5-6/h4-5H2,1-3H3"	"PQSCITIRWCGOKJ-UHFFFAOYSA-N"	"?"
"2075"	"1762-95-4"	"Thiocyanic acid, ammonium salt"	"DTXSID3029653"	"N#CS"	"InChI=1S/CHNS/c2-1-3/h3H"	"ZMZDMBWJUHKJPS-UHFFFAOYSA-N"	"[NH4+]"
"2076"	"156-43-4"	"4-Ethoxyaniline"	"DTXSID0025864"	"CCOC1C=CC(N)=CC=1"	"InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3"	"IMPPGHMHELILKG-UHFFFAOYSA-N"	"?"
"2077"	"937-94-0"	"1,3-Dioxolane, 2-hexyl-2-methyl-"	"DTXSID0061329"	"CCCCCCC1(C)OCCO1"	"InChI=1S/C10H20O2/c1-3-4-5-6-7-10(2)11-8-9-12-10/h3-9H2,1-2H3"	"HTSKVUFGMXXBAG-UHFFFAOYSA-N"	"?"
"2078"	"14008-79-8"	"3alpha-[(4-Chlorophenyl)phenylmethoxy]tropane hydrochloride"	"DTXSID5042615"	"CN1C2CC(CC1CC2)OC(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3"	"OCAXFDULERPAJM-UHFFFAOYSA-N"	"Cl"
"2079"	"768-49-0"	"(2-Methyl-1-propenyl)benzene"	"DTXSID0061111"	"CC(C)=CC1C=CC=CC=1"	"InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3"	"BTOVVHWKPVSLBI-UHFFFAOYSA-N"	"?"
"2080"	"2116-62-3"	"Pyridine, 2-(2-phenylethyl)-"	"DTXSID0062187"	"C(CC1C=CC=CC=1)C1C=CC=CN=1"	"InChI=1S/C13H13N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-8,11H,9-10H2"	"NIJWAAUHTPDGOM-UHFFFAOYSA-N"	"?"
"2081"	"102-82-9"	"Tributylamine"	"DTXSID4026183"	"CCCCN(CCCC)CCCC"	"InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3"	"IMFACGCPASFAPR-UHFFFAOYSA-N"	"?"
"2082"	"2923-18-4"	"Acetic acid, trifluoro-, sodium salt"	"DTXSID0062715"	"OC(=O)C(F)(F)F"	"InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)"	"DTQVDTLACAAQTR-UHFFFAOYSA-N"	"[Na+]"
"2083"	"5807-56-7"			"CC1=CC2C=C(OC)C(=CC=2C(CC2=CC(OC)=C(C=C2)OCC)=N1)OC"	"InChI=1S/C22H25NO4/c1-6-27-19-8-7-15(11-20(19)24-3)10-18-17-13-22(26-5)21(25-4)12-16(17)9-14(2)23-18/h7-9,11-13H,6,10H2,1-5H3"	"NFABMCCMPXXBFY-UHFFFAOYSA-N"	"[Cl-]"
"2084"	"142-18-7"	"1-Monolaurin"	"DTXSID5041275"	"CCCCCCCCCCCC(=O)OCC(O)CO"	"InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3"	"ARIWANIATODDMH-UHFFFAOYSA-N"	"?"
"2085"	"1172-18-5"	"Flurazepam dihydrochloride"	"DTXSID3025334"	"CCN(CCN1C(=O)CN=C(C2=CC=CC=C2F)C2C=C(Cl)C=CC1=2)CC"	"InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3"	"SAADBVWGJQAEFS-UHFFFAOYSA-N"	"Cl.Cl"
"2086"	"99-83-2"	"alpha-Phellandrene"	"DTXSID4047593"	"CC(C)C1CC=C(C)C=C1"	"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3"	"OGLDWXZKYODSOB-UHFFFAOYSA-N"	"?"
"2087"	"1826-56-8"	"Acetamide, N-ethyl-N-(4-nitrophenyl)-"	"DTXSID0062004"	"CC(=O)N(CC)C1C=CC(=CC=1)[N+]([O-])=O"	"InChI=1S/C10H12N2O3/c1-3-11(8(2)13)9-4-6-10(7-5-9)12(14)15/h4-7H,3H2,1-2H3"	"POGUNGMMMFNPOE-UHFFFAOYSA-N"	"?"
"2088"	"126-02-3"			"OC(CCN1CCCCC1)(C1CCCC1)C1C=CC=CC=1"	"InChI=1S/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2"	"SWRUZBWLEWHWRI-UHFFFAOYSA-N"	"Cl"
"2089"	"115-71-9"	"alpha-Santalol"	"DTXSID9051587"	"CC1(CCC=C(C)CO)C2CC3C(C2)C13C"	"InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3"	"PDEQKAVEYSOLJX-UHFFFAOYSA-N"	"?"
"2090"	"63886-82-8"			"CCC1OP(=S)(Cl)OC2CCCCC21"	"InChI=1S/C9H16ClO2PS/c1-2-8-7-5-3-4-6-9(7)12-13(10,14)11-8/h7-9H,2-6H2,1H3"	"CKYVJRNTNYBPED-UHFFFAOYSA-N"	"?"
"2091"	"65087-00-5"	"2,4-Bis[(4-dodecylphenyl)azo]resorcinol"	"DTXSID0052334"	"CCCCCCCCCCCCC1C=CC(=CC=1)N=NC1=C(O)C(=CC=C1O)N=NC1C=CC(CCCCCCCCCCCC)=CC=1"	"InChI=1S/C42H62N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-29-37(30-26-35)43-45-39-33-34-40(47)41(42(39)48)46-44-38-31-27-36(28-32-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-34,47-48H,3-24H2,1-2H3"	"QHQNDQMXODMQBX-UHFFFAOYSA-N"	"?"
"2092"	"355-38-4"	"Hexanoyl fluoride, undecafluoro-"	"DTXSID0059877"	"O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C6F12O/c7-1(19)2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18"	"XATLHBQMSOZWBO-UHFFFAOYSA-N"	"?"
"2093"	"618-98-4"	"Benzoic acid, 3-nitro-, ethyl ester"	"DTXSID0060692"	"CCOC(=O)C1C=C(C=CC=1)[N+]([O-])=O"	"InChI=1S/C9H9NO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3"	"MKBIJCPQTPFQKQ-UHFFFAOYSA-N"	"?"
"2094"	"5432-61-1"			"CCCCC(CNC1CCCCC1)CC"	"InChI=1S/C14H29N/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h13-15H,3-12H2,1-2H3"	"AYMDRBYANXGFGR-UHFFFAOYSA-N"	"?"
"2095"	"127-35-5"	"Phenazocine"	"DTXSID90860736"	"CC1C2CC3=CC=C(O)C=C3C1(C)CCN2CCC1C=CC=CC=1"	"InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3"	"ZQHYKVKNPWDQSL-UHFFFAOYSA-N"	"?"
"2096"	"7492-44-6"	"1-Phenylhexan-2-one"	"DTXSID7052490"	"CCCCC(=O)CC1C=CC=CC=1"	"InChI=1S/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3"	"DYQAZJQDLPPHNB-UHFFFAOYSA-N"	"?"
"2097"	"637-61-6"	"2,5-Cyclohexadien-1-one, 4-(chloroimino)-"	"DTXSID6060925"	"O=C1C=CC(C=C1)=NCl"	"InChI=1S/C6H4ClNO/c7-8-5-1-3-6(9)4-2-5/h1-4H"	"ITUYMTWJWYTELW-UHFFFAOYSA-N"	"?"
"2098"	"1825-58-7"	"Silane, ethoxydimethylphenyl-"	"DTXSID0062000"	"CCO[Si](C)(C)C1C=CC=CC=1"	"InChI=1S/C10H16OSi/c1-4-11-12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3"	"FIHCECZPYHVEJO-UHFFFAOYSA-N"	"?"
"2099"	"136-81-2"	"Phenol, 2-pentyl-"	"DTXSID0059665"	"CCCCCC1C=CC=CC=1O"	"InChI=1S/C11H16O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h5-6,8-9,12H,2-4,7H2,1H3"	"MEEKGULDSDXFCN-UHFFFAOYSA-N"	"?"
"2100"	"31512-74-0"	"Polixetonium chloride"	"DTXSID8034829"	"CCC[N+](C)(C)CC[N+](C)(C)CCO"	"InChI=1S/C11H28N2O/c1-6-7-12(2,3)8-9-13(4,5)10-11-14/h14H,6-11H2,1-5H3/q+2"	"QMNNRGKJQDYTLA-UHFFFAOYSA-N"	"[Cl-].[Cl-]"
"2101"	"3589-21-7"			"CN(C)CC(C)CN1C2=CC=CC=C2CCC2C=CC=CC1=2"	"InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3"	"ZSCDBOWYZJWBIY-UHFFFAOYSA-N"	"?"
"2102"	"81996-58-9"	"Theophylline, 7-(4-(4-(p-fluorophenyl)-1-piperazinyl)butyl)-, dihydrochloride"	"DTXSID60231499"	"CN1C(=O)C2=C(N=CN2CCCCN2CCN(CC2)C2C=CC(F)=CC=2)N(C)C1=O"	"InChI=1S/C21H27FN6O2/c1-24-19-18(20(29)25(2)21(24)30)28(15-23-19)10-4-3-9-26-11-13-27(14-12-26)17-7-5-16(22)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3"	"BSYZHQQVSDRYLI-UHFFFAOYSA-N"	"Cl.Cl"
"2103"	"88069-49-2"	"Pilsicainide hydrochloride"	"DTXSID7057860"	"CC1C=CC=C(C)C=1NC(=O)CC12CCCN1CCC2"	"InChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20)"	"BCQTVJKBTWGHCX-UHFFFAOYSA-N"	"Cl"
"2104"	"117-32-8"	"1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-"	"DTXSID0059451"	"CC1C=C(C=CC=1N=NC1C2=C(C=C(C=C2C=CC=1O)S(O)(=O)=O)S(O)(=O)=O)C1C=C(C)C(=CC=1)N=NC1C=CC(O)=CC=1"	"InChI=1S/C30H24N4O8S2/c1-17-13-19(3-10-25(17)32-31-22-6-8-23(35)9-7-22)20-4-11-26(18(2)14-20)33-34-30-27(36)12-5-21-15-24(43(37,38)39)16-28(29(21)30)44(40,41)42/h3-16,35-36H,1-2H3,(H,37,38,39)(H,40,41,42)"	"PBPHWMOIKUMCRJ-UHFFFAOYSA-N"	"?"
"2105"	"58-40-2"	"Promazine"	"DTXSID2023517"	"CN(C)CCCN1C2=CC=CC=C2SC2C=CC=CC1=2"	"InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3"	"ZGUGWUXLJSTTMA-UHFFFAOYSA-N"	"?"
"2106"	"110-01-0"	"Tetrahydrothiophene"	"DTXSID3047760"	"C1CCCS1"	"InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2"	"RAOIDOHSFRTOEL-UHFFFAOYSA-N"	"?"
"2107"	"620-22-4"	"3-Methylbenzonitrile"	"DTXSID6026167"	"CC1=CC(=CC=C1)C#N"	"InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3"	"BOHCMQZJWOGWTA-UHFFFAOYSA-N"	"?"
"2108"	"1331-54-0"			"CCCCC(CC1C=CC=CC=1O)CC"	"InChI=1S/C14H22O/c1-3-5-8-12(4-2)11-13-9-6-7-10-14(13)15/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3"	"RRKBRXPIJHVKIC-UHFFFAOYSA-N"	"?"
"2109"	"3320-86-3"	"Benzene, 1-isocyanato-2-nitro-"	"DTXSID0062975"	"[O-][N+](=O)C1C=CC=CC=1N=C=O"	"InChI=1S/C7H4N2O3/c10-5-8-6-3-1-2-4-7(6)9(11)12/h1-4H"	"JRVZITODZAQRQM-UHFFFAOYSA-N"	"?"
"2110"	"1679-98-7"	"Benzenamine, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis[N,N-diethyl-"	"DTXSID0061878"	"CCN(CC)C1C=CC(=CC=1)C1=NN=C(O1)C1C=CC(=CC=1)N(CC)CC"	"InChI=1S/C22H28N4O/c1-5-25(6-2)19-13-9-17(10-14-19)21-23-24-22(27-21)18-11-15-20(16-12-18)26(7-3)8-4/h9-16H,5-8H2,1-4H3"	"UZGVMZRBRRYLIP-UHFFFAOYSA-N"	"?"
"2111"	"538-58-9"	"1,4-Pentadien-3-one, 1,5-diphenyl-"	"DTXSID0060224"	"O=C(C=CC1C=CC=CC=1)C=CC1C=CC=CC=1"	"InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H"	"WMKGGPCROCCUDY-UHFFFAOYSA-N"	"?"
"2112"	"63957-56-2"			"C[N+](CCOC(=O)C1C2=CC=CC=C2OC2C=CC=CC=21)(CC)CC"	"InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1"	"GZHFODJQISUKAY-UHFFFAOYSA-N"	"[Cl-]"
"2113"	"18979-61-8"	"4-Butylresorcinol"	"DTXSID50172403"	"CCCCC1C=CC(O)=CC=1O"	"InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3"	"CSHZYWUPJWVTMQ-UHFFFAOYSA-N"	"?"
"2114"	"72903-27-6"	"Diethyl 1,4-cyclohexanedicarboxylate"	"DTXSID0052469"	"CCOC(=O)C1CCC(CC1)C(=O)OCC"	"InChI=1S/C12H20O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3"	"KRJHRNUTLDTSKY-UHFFFAOYSA-N"	"?"
"2115"	"638-68-6"	"Triacontane"	"DTXSID0060935"	"CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC"	"InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3"	"JXTPJDDICSTXJX-UHFFFAOYSA-N"	"?"
"2116"	"111-67-1"	"2-Octene"	"DTXSID0059407"	"CC=CCCCCC"	"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3"	"ILPBINAXDRFYPL-UHFFFAOYSA-N"	"?"
"2117"	"1518-15-6"	"Propanedinitrile, 2,2'-(1,4-cyclohexanediylidene)bis-"	"DTXSID0061747"	"N#CC(C#N)=C1CCC(CC1)=C(C#N)C#N"	"InChI=1S/C12H8N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H2"	"NXQNMVFWIRBUHX-UHFFFAOYSA-N"	"?"
"2118"	"127-08-2"	"Potassium acetate"	"DTXSID7027043"	"CC(O)=O"	"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)"	"QTBSBXVTEAMEQO-UHFFFAOYSA-N"	"[K+]"
"2119"	"1199-01-5"	"5(4H)-Oxazolone, 2-phenyl-"	"DTXSID0061612"	"O=C1CN=C(O1)C1C=CC=CC=1"	"InChI=1S/C9H7NO2/c11-8-6-10-9(12-8)7-4-2-1-3-5-7/h1-5H,6H2"	"QKCKCXFWENOGER-UHFFFAOYSA-N"	"?"
"2120"	"35607-13-7"			"OC(COC1C=CC=CC=1)CNCCNCC(O)COC1C=CC=CC=1"	"InChI=1S/C20H28N2O4/c23-17(15-25-19-7-3-1-4-8-19)13-21-11-12-22-14-18(24)16-26-20-9-5-2-6-10-20/h1-10,17-18,21-24H,11-16H2"	"ZRTJDAGDIFOGTM-UHFFFAOYSA-N"	"Cl.Cl"
"2121"	"133-38-0"			"OC(C(=O)C(O)=O)C(O)=O"	"InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)"	"RMHHUKGVZFVHED-UHFFFAOYSA-N"	"?"
"2122"	"25713-60-4"	"2,4,6-Tris-(2,4,6-tribromophenoxy)-1,3,5-triazine"	"DTXSID0058695"	"BrC1=CC(Br)=C(OC2N=C(N=C(N=2)OC2C(Br)=CC(Br)=CC=2Br)OC2C(Br)=CC(Br)=CC=2Br)C(Br)=C1"	"InChI=1S/C21H6Br9N3O3/c22-7-1-10(25)16(11(26)2-7)34-19-31-20(35-17-12(27)3-8(23)4-13(17)28)33-21(32-19)36-18-14(29)5-9(24)6-15(18)30/h1-6H"	"BDFBPPCACYFGFA-UHFFFAOYSA-N"	"?"
"2123"	"131-65-7"	"3H-Pyrazol-3-one, 2-(2-ethylphenyl)-2,4-dihydro-5-methyl-"	"DTXSID0059619"	"CC1CC(=O)N(N=1)C1C=CC=CC=1CC"	"InChI=1S/C12H14N2O/c1-3-10-6-4-5-7-11(10)14-12(15)8-9(2)13-14/h4-7H,3,8H2,1-2H3"	"HKFAMUCGCCUZMC-UHFFFAOYSA-N"	"?"
"2124"	"107-14-2"	"Chloroacetonitrile"	"DTXSID7021524"	"N#CCCl"	"InChI=1S/C2H2ClN/c3-1-2-4/h1H2"	"RENMDAKOXSCIGH-UHFFFAOYSA-N"	"?"
"2125"	"640-57-3"	"Benzene, 1-methyl-4-(phenylsulfonyl)-"	"DTXSID0060937"	"CC1C=CC(=CC=1)S(=O)(=O)C1C=CC=CC=1"	"InChI=1S/C13H12O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-10H,1H3"	"YBRXHRWLEFCFEG-UHFFFAOYSA-N"	"?"
"2126"	"493-92-5"			"CCCC(CC1C=CC=CC=1)N1CCCC1"	"InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3"	"OJCPSBCUMRIPFL-UHFFFAOYSA-N"	"?"
"2127"	"78-34-2"	"Dioxathion"	"DTXSID9020534"	"CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC"	"InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3"	"VBKKVDGJXVOLNE-UHFFFAOYSA-N"	"?"
"2128"	"56-85-9"	"L-Glutamine"	"DTXSID1023100"	"NC(=O)CCC(N)C(O)=O"	"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)"	"ZDXPYRJPNDTMRX-UHFFFAOYSA-N"	"?"
"2129"	"15043-63-7"	"Phosphorothioic acid, O-carvacryl O,O-dimethyl ester"	"DTXSID30164543"	"CC1=CC=C(C=C1OP(=S)(OC)OC)C(C)C"	"InChI=1S/C12H19O3PS/c1-9(2)11-7-6-10(3)12(8-11)15-16(17,13-4)14-5/h6-9H,1-5H3"	"GVNHAMVMELYILJ-UHFFFAOYSA-N"	"?"
"2130"	"28523-86-6"	"Sevoflurane"	"DTXSID8046614"	"FCOC(C(F)(F)F)C(F)(F)F"	"InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2"	"DFEYYRMXOJXZRJ-UHFFFAOYSA-N"	"?"
"2131"	"62-57-7"	"Alanine, 2-methyl-"	"DTXSID0058772"	"CC(C)(N)C(O)=O"	"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)"	"FUOOLUPWFVMBKG-UHFFFAOYSA-N"	"?"
"2132"	"334-50-9"	"1,4-Butanediamine, N-(3-aminopropyl)-, trihydrochloride"	"DTXSID0059825"	"NCCCCNCCCN"	"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2"	"ATHGHQPFGPMSJY-UHFFFAOYSA-N"	"Cl.Cl.Cl"
"2133"	"102-41-0"	"Ethanol, 2-[(3-methylphenyl)amino]-"	"DTXSID0059249"	"CC1=CC(=CC=C1)NCCO"	"InChI=1S/C9H13NO/c1-8-3-2-4-9(7-8)10-5-6-11/h2-4,7,10-11H,5-6H2,1H3"	"GZCPEUOCUUNCLZ-UHFFFAOYSA-N"	"?"
"2134"	"13887-59-7"			"CC(C)NC(=O)OCC(O)C1COC2C=CC=CC=2O1"	"InChI=1S/C14H19NO5/c1-9(2)15-14(17)19-7-10(16)13-8-18-11-5-3-4-6-12(11)20-13/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,15,17)"	"HHPCQLLZYJQHJX-UHFFFAOYSA-N"	"?"
"2135"	"109-75-1"	"Allyl cyanide"	"DTXSID6021905"	"C=CCC#N"	"InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2"	"SJNALLRHIVGIBI-UHFFFAOYSA-N"	"?"
"2136"	"92-01-3"	"Benzenesulfonic acid, 2-amino-5-(6-methyl-2-benzothiazolyl)-"	"DTXSID0059037"	"CC1C=C2SC(=NC2=CC=1)C1=CC(=C(N)C=C1)S(O)(=O)=O"	"InChI=1S/C14H12N2O3S2/c1-8-2-5-11-12(6-8)20-14(16-11)9-3-4-10(15)13(7-9)21(17,18)19/h2-7H,15H2,1H3,(H,17,18,19)"	"SGFXNJIQRFEOIA-UHFFFAOYSA-N"	"?"
"2137"	"25311-71-1"	"Isofenphos"	"DTXSID8032417"	"CCOP(=S)(NC(C)C)OC1C=CC=CC=1C(=O)OC(C)C"	"InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)"	"HOQADATXFBOEGG-UHFFFAOYSA-N"	"?"
"2138"	"690-94-8"	"5-Hexen-3-yn-2-ol, 2-methyl-"	"DTXSID30219042"	"CC(C)(O)C#CC=C"	"InChI=1S/C7H10O/c1-4-5-6-7(2,3)8/h4,8H,1H2,2-3H3"	"OYWGYGPXPDGOGH-UHFFFAOYSA-N"	"?"
"2139"	"2157-16-6"	"Carbonochloridic acid, 1,4-butanediyl ester"	"DTXSID0062216"	"O=C(Cl)OCCCCOC(=O)Cl"	"InChI=1S/C6H8Cl2O4/c7-5(9)11-3-1-2-4-12-6(8)10/h1-4H2"	"AUKORMQZRYQYGI-UHFFFAOYSA-N"	"?"
"2140"	"1709-44-0"	"Benzaldehyde, 3-amino-"	"DTXSID0061901"	"NC1=CC(C=O)=CC=C1"	"InChI=1S/C7H7NO/c8-7-3-1-2-6(4-7)5-9/h1-5H,8H2"	"SIXYIEWSUKAOEN-UHFFFAOYSA-N"	"?"
"2141"	"85-84-7"	"1-(Phenylazo)-2-naphthylamine"	"DTXSID0058932"	"NC1=CC=C2C=CC=CC2=C1N=NC1C=CC=CC=1"	"InChI=1S/C16H13N3/c17-15-11-10-12-6-4-5-9-14(12)16(15)19-18-13-7-2-1-3-8-13/h1-11H,17H2"	"KLCDQSGLLRINHY-UHFFFAOYSA-N"	"?"
"2142"	"1200-14-2"	"Benzaldehyde, 4-butyl-"	"DTXSID0061616"	"CCCCC1=CC=C(C=O)C=C1"	"InChI=1S/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3"	"ARIREUPIXAKDAY-UHFFFAOYSA-N"	"?"
"2143"	"3085-82-3"	"1,4-Benzenediamine, N-(1-methylethyl)-N-phenyl-"	"DTXSID0062840"	"CC(C)N(C1C=CC=CC=1)C1C=CC(N)=CC=1"	"InChI=1S/C15H18N2/c1-12(2)17(14-6-4-3-5-7-14)15-10-8-13(16)9-11-15/h3-12H,16H2,1-2H3"	"VRKQEIXDEZVPSY-UHFFFAOYSA-N"	"?"
"2144"	"98-83-9"	"alpha-Methylstyrene"	"DTXSID9025661"	"CC(=C)C1C=CC=CC=1"	"InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3"	"XYLMUPLGERFSHI-UHFFFAOYSA-N"	"?"
"2145"	"6284-81-7"	"Butane, 1,1',1'',1'''-(1,2-ethanediylidenetetrakis(oxy))tetrakis- (9CI)"	"DTXSID10212016"	"CCCCOC(OCCCC)C(OCCCC)OCCCC"	"InChI=1S/C18H38O4/c1-5-9-13-19-17(20-14-10-6-2)18(21-15-11-7-3)22-16-12-8-4/h17-18H,5-16H2,1-4H3"	"LNDOAJBBKMXYGW-UHFFFAOYSA-N"	"?"
"2146"	"371-62-0"	"2-Fluoroethanol"	"DTXSID0059902"	"OCCF"	"InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2"	"GGDYAKVUZMZKRV-UHFFFAOYSA-N"	"?"
"2147"	"440-60-8"	"2,3,4,5,6-Pentafluorobenzyl alcohol"	"DTXSID00196013"	"OCC1C(F)=C(F)C(F)=C(F)C=1F"	"InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2"	"PGJYYCIOYBZTPU-UHFFFAOYSA-N"	"?"
"2148"	"719-59-5"	"2-Amino-5-chlorobenzophenone"	"DTXSID0052463"	"NC1=CC=C(Cl)C=C1C(=O)C1C=CC=CC=1"	"InChI=1S/C13H10ClNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2"	"ZUWXHHBROGLWNH-UHFFFAOYSA-N"	"?"
"2149"	"1710-98-1"	"Benzoyl chloride, 4-(1,1-dimethylethyl)-"	"DTXSID0061903"	"CC(C)(C)C1C=CC(=CC=1)C(=O)Cl"	"InChI=1S/C11H13ClO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3"	"WNLMYNASWOULQY-UHFFFAOYSA-N"	"?"
"2150"	"1563-66-2"	"Carbofuran"	"DTXSID9020249"	"CNC(=O)OC1=CC=CC2CC(C)(C)OC1=2"	"InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)"	"DUEPRVBVGDRKAG-UHFFFAOYSA-N"	"?"
"2151"	"3326-34-9"	"Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 5-amino-3',6'-dihydroxy-"	"DTXSID0062979"	"NC1C=C2C(=O)OC3(C4=CC=C(O)C=C4OC4C=C(O)C=CC3=4)C2=CC=1"	"InChI=1S/C20H13NO5/c21-10-1-4-14-13(7-10)19(24)26-20(14)15-5-2-11(22)8-17(15)25-18-9-12(23)3-6-16(18)20/h1-9,22-23H,21H2"	"GZAJOEGTZDUSKS-UHFFFAOYSA-N"	"?"
"2152"	"1166-52-5"	"Dodecyl gallate"	"DTXSID0048189"	"CCCCCCCCCCCCOC(=O)C1C=C(O)C(O)=C(O)C=1"	"InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3"	"RPWFJAMTCNSJKK-UHFFFAOYSA-N"	"?"
"2153"	"1573-51-9"	"4-[(1H-Imidazol-2-yl)azo]aniline"	"DTXSID0061793"	"NC1C=CC(=CC=1)N=NC1NC=CN=1"	"InChI=1S/C9H9N5/c10-7-1-3-8(4-2-7)13-14-9-11-5-6-12-9/h1-6H,10H2,(H,11,12)"	"BDHZGIMWZQCLOF-UHFFFAOYSA-N"	"?"
"2154"	"117666-89-4"			"CCOC(=S)C=CC1C=CC(=CC=1)N(C)C"	"InChI=1S/C13H17NOS/c1-4-15-13(16)10-7-11-5-8-12(9-6-11)14(2)3/h5-10H,4H2,1-3H3"	"MBVYEVUWAIDSEL-UHFFFAOYSA-N"	"?"
"2155"	"67-45-8"	"Furazolidone"	"DTXSID4041997"	"[O-][N+](=O)C1=CC=C(C=NN2CCOC2=O)O1"	"InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2"	"PLHJDBGFXBMTGZ-UHFFFAOYSA-N"	"?"
"2156"	"1765-48-6"	"Undecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro-"	"DTXSID5061954"	"OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F"	"InChI=1S/C11H2F20O2/c12-1(13)3(14,15)5(18,19)7(22,23)9(26,27)11(30,31)10(28,29)8(24,25)6(20,21)4(16,17)2(32)33/h1H,(H,32,33)"	"MMYNPHSPRPZSSN-UHFFFAOYSA-N"	"?"
"2157"	"821-76-1"	"Heptane, 1,7-dichloro-"	"DTXSID0061167"	"ClCCCCCCCCl"	"InChI=1S/C7H14Cl2/c8-6-4-2-1-3-5-7-9/h1-7H2"	"PSEMXLIZFGUOGC-UHFFFAOYSA-N"	"?"
"2158"	"3309-78-2"			"CCOP(=O)(OCC)SCC#C"	"InChI=1S/C7H13O3PS/c1-4-7-12-11(8,9-5-2)10-6-3/h1H,5-7H2,2-3H3"	"YWNBQUFJHSECNB-UHFFFAOYSA-N"	"?"
"2159"	"2117-28-4"	"Silane, methylenebis[trimethyl-"	"DTXSID0062189"	"C[Si](C)(C)C[Si](C)(C)C"	"InChI=1S/C7H20Si2/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3"	"GYIODRUWWNNGPI-UHFFFAOYSA-N"	"?"
"2160"	"98-46-4"	"1-Nitro-3-(trifluoromethyl)benzene"	"DTXSID9025794"	"[O-][N+](=O)C1=CC(=CC=C1)C(F)(F)F"	"InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H"	"WHNAMGUAXHGCHH-UHFFFAOYSA-N"	"?"
"2161"	"21270-13-3"			"CCCCCOC(CBr)C1C=CC(=CC=1)C1CCCCC1"	"InChI=1S/C19H29BrO/c1-2-3-7-14-21-19(15-20)18-12-10-17(11-13-18)16-8-5-4-6-9-16/h10-13,16,19H,2-9,14-15H2,1H3"	"SSJKEEXKEAHLTD-UHFFFAOYSA-N"	"?"
"2162"	"2449-14-1"	"Diazenedicarboxylic acid, diphenyl ester"	"DTXSID0062426"	"O=C(N=NC(=O)OC1C=CC=CC=1)OC1C=CC=CC=1"	"InChI=1S/C14H10N2O4/c17-13(19-11-7-3-1-4-8-11)15-16-14(18)20-12-9-5-2-6-10-12/h1-10H"	"WDZOPGZTGVJDMZ-UHFFFAOYSA-N"	"?"
"2163"	"1072957-71-1"	"Benzovindiflupyr"	"DTXSID8057930"	"CN1C=C(/C(/O)=N/C2=CC=CC3C4CCC(C=32)C4=C(Cl)Cl)C(=N1)C(F)F"	"InChI=1S/C18H15Cl2F2N3O/c1-25-7-11(15(24-25)17(21)22)18(26)23-12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17H,5-6H2,1H3,(H,23,26)"	"CCCGEKHKTPTUHJ-UHFFFAOYSA-N"	"?"
"2164"	"35575-96-3"	"Azamethiphos"	"DTXSID9034818"	"COP(=O)(OC)SCN1C2N=CC(Cl)=CC=2OC1=O"	"InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3"	"VNKBTWQZTQIWDV-UHFFFAOYSA-N"	"?"
"2165"	"937-14-4"	"Benzenecarboperoxoic acid, 3-chloro-"	"DTXSID0061325"	"OOC(=O)C1C=C(Cl)C=CC=1"	"InChI=1S/C7H5ClO3/c8-6-3-1-2-5(4-6)7(9)11-10/h1-4,10H"	"NHQDETIJWKXCTC-UHFFFAOYSA-N"	"?"
"2166"	"89457-10-3"	"Benzimidazole, 6-bromo-4-chloro-2-(trifluoromethyl)-"	"DTXSID70237725"	"FC(F)(F)C1NC2=CC(Br)=CC(Cl)=C2N=1"	"InChI=1S/C8H3BrClF3N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)"	"GQUMVBCXDLOULU-UHFFFAOYSA-N"	"?"
"2167"	"151-73-5"	"Betamethasone 21-phosphate disodium"	"DTXSID8047137"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(O)(O)=O"	"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)"	"VQODGRNSFPNSQE-UHFFFAOYSA-N"	"[Na+].[Na+]"
"2168"	"131-43-1"	"2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-"	"DTXSID0059617"	"[O-][N+](=O)C1=CC(=C(C=CC2C=CC(=CC=2S(O)(=O)=O)N2N=C3C=C(C4=CC=CC=C4C3=N2)S(O)(=O)=O)C=C1)S(O)(=O)=O"	"InChI=1S/C24H16N4O11S3/c29-28(30)17-10-8-15(22(12-17)41(34,35)36)6-5-14-7-9-16(11-21(14)40(31,32)33)27-25-20-13-23(42(37,38)39)18-3-1-2-4-19(18)24(20)26-27/h1-13H,(H,31,32,33)(H,34,35,36)(H,37,38,39)"	"ZUALTTRSCLAGBQ-UHFFFAOYSA-N"	"?"
"2169"	"628-20-6"	"4-Chlorobutyronitrile"	"DTXSID0060850"	"N#CCCCCl"	"InChI=1S/C4H6ClN/c5-3-1-2-4-6/h1-3H2"	"ZFCFBWSVQWGOJJ-UHFFFAOYSA-N"	"?"
"2170"	"63783-49-3"			"OCC(Cl)C(Cl)CO"	"InChI=1S/C4H8Cl2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2"	"BDFQFJDIIIRPBO-UHFFFAOYSA-N"	"?"
"2171"	"615-37-2"	"Benzene, 1-iodo-2-methyl-"	"DTXSID0060646"	"CC1C=CC=CC=1I"	"InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3"	"RINOYHWVBUKAQE-UHFFFAOYSA-N"	"?"
"2172"	"1514-52-9"	"Benzenediazonium, 4-nitro-, hexafluorophosphate(1-)"	"DTXSID0061741"	"N#[N+]C1C=CC(=CC=1)[N+]([O-])=O"	"InChI=1S/C6H4N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4H/q+1"	"ICMFHHGKLRTCBM-UHFFFAOYSA-N"	"[P-](F)(F)(F)(F)(F)F"
"2173"	"548-80-1"	"2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[(4-nitrophenyl)azo]-, disodium salt"	"DTXSID0060278"	"[O-][N+](=O)C1C=CC(=CC=1)N=NC1C(=CC2=CC(=CC(O)=C2C=1O)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C16H11N3O10S2/c20-12-7-11(30(24,25)26)5-8-6-13(31(27,28)29)15(16(21)14(8)12)18-17-9-1-3-10(4-2-9)19(22)23/h1-7,20-21H,(H,24,25,26)(H,27,28,29)"	"UFCRMQZBTRPTQR-UHFFFAOYSA-N"	"[Na+].[Na+]"
"2174"	"3088-15-1"	"Methanone, (4,6-dihydroxy-1,3-phenylene)bis[phenyl-"	"DTXSID0062842"	"OC1C=C(O)C(=CC=1C(=O)C1C=CC=CC=1)C(=O)C1C=CC=CC=1"	"InChI=1S/C20H14O4/c21-17-12-18(22)16(20(24)14-9-5-2-6-10-14)11-15(17)19(23)13-7-3-1-4-8-13/h1-12,21-22H"	"GOZHNJTXLALKRL-UHFFFAOYSA-N"	"?"
"2175"	"2922-44-3"	"Dextromoramide tartrate"	"DTXSID1048918"	"CC(CN1CCOCC1)C(C(=O)N1CCCC1)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3"	"INUNXTSAACVKJS-UHFFFAOYSA-N"	"C(=O)(O)[C@@H]([C@H](C(=O)O)O)O"
"2176"	"3426-58-2"			"CN1C=C(CCC2C=C[N+](CCC[N+](C)(C)C)=CC=2)C2=CC=CC=C12"	"InChI=1S/C22H31N3/c1-23-18-20(21-8-5-6-9-22(21)23)11-10-19-12-15-24(16-13-19)14-7-17-25(2,3)4/h5-6,8-9,12-13,15-16,18H,7,10-11,14,17H2,1-4H3/q+2"	"ADCSYVXJAPHBFY-UHFFFAOYSA-N"	"?"
"2177"	"115-84-4"	"2-Butyl-2-ethyl-1,3-propanediol"	"DTXSID8041400"	"CCCCC(CO)(CO)CC"	"InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3"	"DSKYSDCYIODJPC-UHFFFAOYSA-N"	"?"
"2178"	"1009-14-9"	"1-Pentanone, 1-phenyl-"	"DTXSID0061406"	"CCCCC(=O)C1C=CC=CC=1"	"InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3"	"XKGLSKVNOSHTAD-UHFFFAOYSA-N"	"?"
"2179"	"117-46-4"	"2,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-"	"DTXSID0059457"	"OC1C=C(C=C2C=C(C=C(NC(=O)C3C=CC=CC=3)C=12)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C17H13NO8S2/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)18-17(20)10-4-2-1-3-5-10/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26)"	"RKKZDGOUSIOSIY-UHFFFAOYSA-N"	"?"
"2180"	"22781-24-4"			"CCC1(C)OC2C=CC=C(OC(=O)NC)C=2O1"	"InChI=1S/C12H15NO4/c1-4-12(2)16-9-7-5-6-8(10(9)17-12)15-11(14)13-3/h5-7H,4H2,1-3H3,(H,13,14)"	"BKHCZBURUAMMRR-UHFFFAOYSA-N"	"?"
"2181"	"143-81-7"	"Butabarbital Sodium"	"DTXSID70874119"	"CC(CC)C1(CC)C(O)=NC(=O)N=C1O"	"InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)"	"ZRIHAIZYIMGOAB-UHFFFAOYSA-N"	"[Na+]"
"2182"	"145071-62-1"			"CON=CC1CN(CCC=1)OC(=O)NC1=CC=C(Cl)C=C1"	"InChI=1S/C14H16ClN3O3/c1-20-16-9-11-3-2-8-18(10-11)21-14(19)17-13-6-4-12(15)5-7-13/h3-7,9H,2,8,10H2,1H3,(H,17,19)"	"XZQZAGAUOUPLDW-UHFFFAOYSA-N"	"?"
"2183"	"2154-67-8"	"1H-Pyrrol-1-yloxy, 3-carboxy-2,5-dihydro-2,2,5,5-tetramethyl-"	"DTXSID0062212"	"CC1(C)C(=CC(C)(C)N1O)C(O)=O"	"InChI=1S/C9H15NO3/c1-8(2)5-6(7(11)12)9(3,4)10(8)13/h5,13H,1-4H3,(H,11,12)"	"SADYUZSTFFUBBP-UHFFFAOYSA-N"	"?"
"2184"	"52112-66-0"	"Benzoxazole, 2-amino-6-bromo-"	"DTXSID40200123"	"NC1=NC2C=CC(Br)=CC=2O1"	"InChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)"	"APUYIVHTTCCVMF-UHFFFAOYSA-N"	"?"
"2185"	"68037-57-0"	"2-Ethylhexyl trihydrogen orthosilicate"	"DTXSID0052384"	"CCCCC(CO[Si](O)(O)O)CC"	"InChI=1S/C8H20O4Si/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8-11H,3-7H2,1-2H3"	"JVACZBKPVSKSMS-UHFFFAOYSA-N"	"?"
"2186"	"93-13-0"	"Methanesulfonic acid, [(2-methoxyphenyl)amino]-"	"DTXSID0059081"	"COC1C=CC=CC=1NCS(O)(=O)=O"	"InChI=1S/C8H11NO4S/c1-13-8-5-3-2-4-7(8)9-6-14(10,11)12/h2-5,9H,6H2,1H3,(H,10,11,12)"	"WJORFFDFYBZRJH-UHFFFAOYSA-N"	"?"
"2187"	"1825-63-4"	"Silane, trimethylpropoxy-"	"DTXSID0062002"	"CCCO[Si](C)(C)C"	"InChI=1S/C6H16OSi/c1-5-6-7-8(2,3)4/h5-6H2,1-4H3"	"PHPGKIATZDCVHL-UHFFFAOYSA-N"	"?"
"2188"	"3237-62-5"	"1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-"	"DTXSID0062925"	"CC1=NC2=CC(Cl)=C(Cl)C=C2N1CC"	"InChI=1S/C10H10Cl2N2/c1-3-14-6(2)13-9-4-7(11)8(12)5-10(9)14/h4-5H,3H2,1-2H3"	"IVVLMQPTQOLYDX-UHFFFAOYSA-N"	"?"
"2189"	"1758-88-9"	"2-Ethyl-p-xylene"	"DTXSID0061951"	"CCC1C=C(C)C=CC=1C"	"InChI=1S/C10H14/c1-4-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3"	"AXIUBBVSOWPLDA-UHFFFAOYSA-N"	"?"
"2190"	"109-39-7"	"9-Octadecenoic acid (9Z)-, 2-butoxyethyl ester"	"DTXSID0059370"	"CCCCCCCCC=CCCCCCCCC(=O)OCCOCCCC"	"InChI=1S/C24H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)27-23-22-26-21-6-4-2/h12-13H,3-11,14-23H2,1-2H3"	"LBUOSVPOVIEPLJ-UHFFFAOYSA-N"	"?"
"2191"	"1677-46-9"	"2(1H)-Quinolinone, 4-hydroxy-1-methyl-"	"DTXSID0061874"	"CN1C2C=CC=CC=2C(=O)CC1=O"	"InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-5H,6H2,1H3"	"CLYBXZIOLFPNSX-UHFFFAOYSA-N"	"?"
"2192"	"622-96-8"	"4-Ethyltoluene"	"DTXSID9029194"	"CC1C=CC(CC)=CC=1"	"InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3"	"JRLPEMVDPFPYPJ-UHFFFAOYSA-N"	"?"
"2193"	"121-32-4"	"3-Ethoxy-4-hydroxybenzaldehyde"	"DTXSID5021968"	"CCOC1C=C(C=O)C=CC=1O"	"InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3"	"CBOQJANXLMLOSS-UHFFFAOYSA-N"	"?"
"2194"	"85-75-6"	"1,6-Naphthalenedisulfonic acid, 4-amino-"	"DTXSID0058930"	"NC1=CC=C(C2=CC=C(C=C21)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C10H9NO6S2/c11-9-3-4-10(19(15,16)17)7-2-1-6(5-8(7)9)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)"	"QUFFRITXLMVPMV-UHFFFAOYSA-N"	"?"
"2195"	"135-23-9"	"Methapyrilene hydrochloride"	"DTXSID0020818"	"CN(C)CCN(CC1=CC=CS1)C1=CC=CC=N1"	"InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3"	"HNJJXZKZRAWDPF-UHFFFAOYSA-N"	"Cl"
"2196"	"2536-91-6"	"2-Benzothiazolamine, 6-methyl-"	"DTXSID0062501"	"CC1C=C2SC(N)=NC2=CC=1"	"InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)"	"DZWTXWPRWRLHIL-UHFFFAOYSA-N"	"?"
"2197"	"36653-82-4"	"1-Hexadecanol"	"DTXSID4027991"	"CCCCCCCCCCCCCCCCO"	"InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3"	"BXWNKGSJHAJOGX-UHFFFAOYSA-N"	"?"
"2198"	"40766-30-1"			"CC1C=CC=CC=1C(C)C1C=CC=CC=1"	"InChI=1S/C15H16/c1-12-8-6-7-11-15(12)13(2)14-9-4-3-5-10-14/h3-11,13H,1-2H3"	"AOWVXBUUWBOTKP-UHFFFAOYSA-N"	"?"
"2199"	"49803-30-7"	"1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)-"	"DTXSID50198082"	"CCN1C=CC(C=C1)=C1C(=O)C2C=CC=CC=2C1=O"	"InChI=1S/C16H13NO2/c1-2-17-9-7-11(8-10-17)14-15(18)12-5-3-4-6-13(12)16(14)19/h3-10H,2H2,1H3"	"XHNFURAQPBTAFS-UHFFFAOYSA-N"	"?"
"2200"	"536-90-3"	"3-Methoxyaniline"	"DTXSID8024529"	"COC1C=C(N)C=CC=1"	"InChI=1S/C7H9NO/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3"	"NCBZRJODKRCREW-UHFFFAOYSA-N"	"?"
"2201"	"538-28-3"	"Carbamimidothioic acid, phenylmethyl ester, monohydrochloride"	"DTXSID0060222"	"NC(=N)SCC1C=CC=CC=1"	"InChI=1S/C8H10N2S/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10)"	"GTRLQRHWPXEBLF-UHFFFAOYSA-N"	"Cl"
"2202"	"117-59-9"	"1-Naphthalenesulfonic acid, 5-hydroxy-"	"DTXSID0059459"	"OC1C=CC=C2C=1C=CC=C2S(O)(=O)=O"	"InChI=1S/C10H8O4S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6,11H,(H,12,13,14)"	"YLKCHWCYYNKADS-UHFFFAOYSA-N"	"?"
"2203"	"88-72-2"	"2-Nitrotoluene"	"DTXSID4025791"	"CC1=CC=CC=C1[N+]([O-])=O"	"InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3"	"PLAZTCDQAHEYBI-UHFFFAOYSA-N"	"?"
"2204"	"1618-26-4"	"Methane, bis(methylthio)-"	"DTXSID0061822"	"CSCSC"	"InChI=1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3"	"LOCDPORVFVOGCR-UHFFFAOYSA-N"	"?"
"2205"	"3177-22-8"	"Benzenesulfonic acid, 2,4-diamino-, monosodium salt"	"DTXSID0062892"	"NC1C=C(N)C(=CC=1)S(O)(=O)=O"	"InChI=1S/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)"	"JVMSQRAXNZPDHF-UHFFFAOYSA-N"	"[Na+]"
"2206"	"307-70-0"	"1-Undecanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro-"	"DTXSID0059798"	"OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F"	"InChI=1S/C11H4F20O/c12-2(13)4(16,17)6(20,21)8(24,25)10(28,29)11(30,31)9(26,27)7(22,23)5(18,19)3(14,15)1-32/h2,32H,1H2"	"GJYLSFCFHFUODO-UHFFFAOYSA-N"	"?"
"2207"	"104-11-0"	"Benzenemethanamine, 4-chloro-N-methyl-"	"DTXSID0059291"	"CNCC1C=CC(Cl)=CC=1"	"InChI=1S/C8H10ClN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3"	"LMBUJNXYGGNSAH-UHFFFAOYSA-N"	"?"
"2208"	"5417-35-6"	"4,7-Dihydro-2-isopropyl-1,3-dioxepin"	"DTXSID10202518"	"CC(C)C1OCC=CCO1"	"InChI=1S/C8H14O2/c1-7(2)8-9-5-3-4-6-10-8/h3-4,7-8H,5-6H2,1-2H3"	"DMGDSBIHRJJUGP-UHFFFAOYSA-N"	"?"
"2209"	"354-76-7"	"Propanamide, 2,2,3,3,3-pentafluoro-"	"DTXSID0059871"	"NC(=O)C(F)(F)C(F)(F)F"	"InChI=1S/C3H2F5NO/c4-2(5,1(9)10)3(6,7)8/h(H2,9,10)"	"KQTOYEUYHXUEDB-UHFFFAOYSA-N"	"?"
"2210"	"92-05-7"	"[1,1'-Biphenyl]-3,4-diol"	"DTXSID0059039"	"OC1C=CC(=CC=1O)C1C=CC=CC=1"	"InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H"	"QDNPCYCBQFHNJC-UHFFFAOYSA-N"	"?"
"2211"	"49637-08-3"			"CCCCCC(C)C(C)C1=CC2OC(C)(C)C3CCN(CC#C)CC=3C=2C(=C1)OC(=O)CCCN1CCCCC1"	"InChI=1S/C35H52N2O3/c1-7-9-11-15-26(3)27(4)28-23-31(39-33(38)16-14-21-36-19-12-10-13-20-36)34-29-25-37(18-8-2)22-17-30(29)35(5,6)40-32(34)24-28/h2,23-24,26-27H,7,9-22,25H2,1,3-6H3"	"MCVPMHDADNVRKF-UHFFFAOYSA-N"	"?"
"2212"	"3913-71-1"	"2-Decenal"	"DTXSID8052065"	"CCCCCCCC=CC=O"	"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3"	"MMFCJPPRCYDLLZ-UHFFFAOYSA-N"	"?"
"2213"	"73953-73-8"	"Urea, 1-cyclohexyl-3-(3,4-dimethoxybenzenesulfonyl)-"	"DTXSID70224675"	"COC1=CC=C(C=C1OC)S(=O)(=O)NC(=O)NC1CCCCC1"	"InChI=1S/C15H22N2O5S/c1-21-13-9-8-12(10-14(13)22-2)23(19,20)17-15(18)16-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,16,17,18)"	"PAZRSWRNQCLLIG-UHFFFAOYSA-N"	"?"
"2214"	"2150-58-5"	"2,5-Cyclohexadien-1-one, 4-[[4-(dimethylamino)phenyl]imino]-"	"DTXSID0062210"	"CN(C)C1C=CC(=CC=1)N=C1C=CC(=O)C=C1"	"InChI=1S/C14H14N2O/c1-16(2)13-7-3-11(4-8-13)15-12-5-9-14(17)10-6-12/h3-10H,1-2H3"	"LHGMHYDJNXEEFG-UHFFFAOYSA-N"	"?"
"2215"	"2621-46-7"	"Benzene, 1-chloro-4-(1-methylethyl)-"	"DTXSID0062559"	"CC(C)C1C=CC(Cl)=CC=1"	"InChI=1S/C9H11Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3"	"FHBSIIZALGOVLM-UHFFFAOYSA-N"	"?"
"2216"	"4171-13-5"			"CC(CC)C(CC)C(N)=O"	"InChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)"	"QRCJOCOSPZMDJY-UHFFFAOYSA-N"	"?"
"2217"	"770-10-5"	"Trichlorobenzylsilane"	"DTXSID0061117"	"Cl[Si](Cl)(Cl)CC1C=CC=CC=1"	"InChI=1S/C7H7Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2"	"GONOPSZTUGRENK-UHFFFAOYSA-N"	"?"
"2218"	"333-41-5"	"Diazinon"	"DTXSID9020407"	"CC1=CC(=NC(=N1)C(C)C)OP(=S)(OCC)OCC"	"InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3"	"FHIVAFMUCKRCQO-UHFFFAOYSA-N"	"?"
"2219"	"105-97-5"	"Didecyl adipate"	"DTXSID0059328"	"CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCC"	"InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-19-23-29-25(27)21-17-18-22-26(28)30-24-20-16-14-12-10-8-6-4-2/h3-24H2,1-2H3"	"HCQHIEGYGGJLJU-UHFFFAOYSA-N"	"?"
"2220"	"21270-17-7"			"CCCCC(COC(CBr)C1C=CC=C(C=1)C1CCCCC1)CC"	"InChI=1S/C22H35BrO/c1-3-5-10-18(4-2)17-24-22(16-23)21-14-9-13-20(15-21)19-11-7-6-8-12-19/h9,13-15,18-19,22H,3-8,10-12,16-17H2,1-2H3"	"FLORVCLJQFUOIT-UHFFFAOYSA-N"	"?"
"2221"	"589-91-3"	"Cyclohexanol, 4-methyl-"	"DTXSID0060434"	"CC1CCC(O)CC1"	"InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3"	"MQWCXKGKQLNYQG-UHFFFAOYSA-N"	"?"
"2222"	"86-45-3"	"2-Naphthalenesulfonic acid, 5-amino-6-methoxy-"	"DTXSID0058936"	"COC1C=CC2=CC(=CC=C2C=1N)S(O)(=O)=O"	"InChI=1S/C11H11NO4S/c1-16-10-5-2-7-6-8(17(13,14)15)3-4-9(7)11(10)12/h2-6H,12H2,1H3,(H,13,14,15)"	"OXQJOAGKNHVOAI-UHFFFAOYSA-N"	"?"
"2223"	"11120-29-9"			"ClC1C=C(Cl)C(C2=C(Cl)C(Cl)=C(C3C=C(Cl)C(Cl)=CC=3Cl)C(Cl)=C2Cl)=C(Cl)C=1Cl"	"InChI=1S/C18H3Cl11/c19-5-2-7(21)6(20)1-4(5)10-14(25)17(28)12(18(29)15(10)26)11-8(22)3-9(23)13(24)16(11)27/h1-3H"	"DCWGVTFYEARJCZ-UHFFFAOYSA-N"	"?"
"2224"	"2920-38-9"	"[1,1'-Biphenyl]-4-carbonitrile"	"DTXSID0062713"	"N#CC1C=CC(=CC=1)C1C=CC=CC=1"	"InChI=1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H"	"BPMBNLJJRKCCRT-UHFFFAOYSA-N"	"?"
"2225"	"1711-06-4"	"Benzoyl chloride, 3-methyl-"	"DTXSID0061905"	"CC1=CC(=CC=C1)C(=O)Cl"	"InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3"	"YHOYYHYBFSYOSQ-UHFFFAOYSA-N"	"?"
"2226"	"110283-66-4"	"3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-(2-(bis(4-(trifluoromethyl)phenyl)methoxy)ethyl)-, hydrochloride"	"DTXSID30149193"	"OC(=O)C1CN(CCOC(C2C=CC(=CC=2)C(F)(F)F)C2C=CC(=CC=2)C(F)(F)F)CCC=1"	"InChI=1S/C23H21F6NO3/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32/h2-10,20H,1,11-14H2,(H,31,32)"	"CMHQDSBIBSKHFP-UHFFFAOYSA-N"	"Cl"
"2227"	"41239-48-9"	"Furan, 2,5-diethyltetrahydro-"	"DTXSID70866039"	"CCC1CCC(CC)O1"	"InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3"	"YKWLEIXVUHRKEF-UHFFFAOYSA-N"	"?"
"2228"	"651-06-9"	"Sulfameter"	"DTXSID5023613"	"COC1=CN=C(NS(=O)(=O)C2C=CC(N)=CC=2)N=C1"	"InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)"	"GPTONYMQFTZPKC-UHFFFAOYSA-N"	"?"
"2229"	"93-29-8"	"Isoeugenyl acetate"	"DTXSID0052625"	"CC(=O)OC1=CC=C(C=C1OC)C=CC"	"InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3"	"IUSBVFZKQJGVEP-UHFFFAOYSA-N"	"?"
"2230"	"82985-35-1"	"3-(Trimethoxysilyl)-N-[3-(trimethoxysilyl)propyl]propan-1-amine"	"DTXSID6033825"	"CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC"	"InChI=1S/C12H31NO6Si2/c1-14-20(15-2,16-3)11-7-9-13-10-8-12-21(17-4,18-5)19-6/h13H,7-12H2,1-6H3"	"TZZGHGKTHXIOMN-UHFFFAOYSA-N"	"?"
"2231"	"625-80-9"	"Propane, 2,2'-thiobis-"	"DTXSID0060808"	"CC(C)SC(C)C"	"InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3"	"XYWDPYKBIRQXQS-UHFFFAOYSA-N"	"?"
"2232"	"42711-84-2"	"2-Propanol, 1,3-bis((2-hydroxyethyl)amino)-"	"DTXSID90195398"	"OC(CNCCO)CNCCO"	"InChI=1S/C7H18N2O3/c10-3-1-8-5-7(12)6-9-2-4-11/h7-12H,1-6H2"	"ISNLINDNKXJLCY-UHFFFAOYSA-N"	"?"
"2233"	"72214-23-4"	"2,6-Dimethylocta-5,7-dien-2-yl acetate"	"DTXSID0052465"	"CC(=O)OC(C)(C)CCC=C(C)C=C"	"InChI=1S/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6,8H,1,7,9H2,2-5H3"	"JAVBVYXSVDXAQK-UHFFFAOYSA-N"	"?"
"2234"	"102-70-5"	"Triallylamine"	"DTXSID5026174"	"C=CCN(CC=C)CC=C"	"InChI=1S/C9H15N/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2"	"VPYJNCGUESNPMV-UHFFFAOYSA-N"	"?"
"2235"	"355-80-6"	"1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-"	"DTXSID0059879"	"OCC(F)(F)C(F)(F)C(F)(F)C(F)F"	"InChI=1S/C5H4F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2"	"JUGSKHLZINSXPQ-UHFFFAOYSA-N"	"?"
"2236"	"644-08-6"	"4-Phenyltoluene"	"DTXSID4047177"	"CC1C=CC(=CC=1)C1C=CC=CC=1"	"InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3"	"ZZLCFHIKESPLTH-UHFFFAOYSA-N"	"?"
"2237"	"598-94-7"	"1,1-Dimethylurea"	"DTXSID0060515"	"CN(C)C(N)=O"	"InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)"	"YBBLOADPFWKNGS-UHFFFAOYSA-N"	"?"
"2238"	"7070-93-1"	"Carbamic acid, methyl-, o-(1,3-dithiolan-2-yl)phenyl ester"	"DTXSID30220971"	"CNC(=O)OC1=CC=CC=C1C1SCCS1"	"InChI=1S/C11H13NO2S2/c1-12-11(13)14-9-5-3-2-4-8(9)10-15-6-7-16-10/h2-5,10H,6-7H2,1H3,(H,12,13)"	"KWUCJKVKINNROS-UHFFFAOYSA-N"	"?"
"2239"	"136-21-0"	"Benzenamine, 4-[(2,4-dimethylphenyl)azo]-2,5-dimethyl-"	"DTXSID0059663"	"CC1=CC(C)=C(C=C1)N=NC1C=C(C)C(N)=CC=1C"	"InChI=1S/C16H19N3/c1-10-5-6-15(12(3)7-10)18-19-16-9-11(2)14(17)8-13(16)4/h5-9H,17H2,1-4H3"	"HGBRQTVTZZIIAW-UHFFFAOYSA-N"	"?"
"2240"	"628-29-5"	"Butane, 1-(methylthio)-"	"DTXSID0060852"	"CCCCSC"	"InChI=1S/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3"	"WCXXISMIJBRDQK-UHFFFAOYSA-N"	"?"
"2241"	"74-94-2"	"Dimethylamine-borane (1:1)"	"DTXSID7052494"	"CNC"	"InChI=1S/C2H7N/c1-3-2/h3H,1-2H3"	"ROSDSFDQCJNGOL-UHFFFAOYSA-N"	"B"
"2242"	"631-64-1"	"Dibromoacetic acid"	"DTXSID1023815"	"OC(=O)C(Br)Br"	"InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)"	"SIEILFNCEFEENQ-UHFFFAOYSA-N"	"?"
"2243"	"101-07-5"			"CCCCC(CN(CCO)CC(CCCC)CC)CC"	"InChI=1S/C18H39NO/c1-5-9-11-17(7-3)15-19(13-14-20)16-18(8-4)12-10-6-2/h17-18,20H,5-16H2,1-4H3"	"FMFWSIARXFCACS-UHFFFAOYSA-N"	"?"
"2244"	"3385-41-9"	"Diammonium adipate"	"DTXSID30889466"	"OC(=O)CCCCC(O)=O"	"InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)"	"WNLRTRBMVRJNCN-UHFFFAOYSA-N"	"[NH4+].[NH4+]"
"2245"	"1904-98-9"	"2,6-Diaminopurine"	"DTXSID0062052"	"NC1N=C2N=CNC2=C(N)N=1"	"InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)"	"MSSXOMSJDRHRMC-UHFFFAOYSA-N"	"?"
"2246"	"67845-46-9"	"(4-Methylphenoxy)acetaldehyde"	"DTXSID0052380"	"CC1=CC=C(C=C1)OCC=O"	"InChI=1S/C9H10O2/c1-8-2-4-9(5-3-8)11-7-6-10/h2-6H,7H2,1H3"	"KWNAUDMYKHHEOA-UHFFFAOYSA-N"	"?"
"2247"	"597-31-9"	"Propanal, 3-hydroxy-2,2-dimethyl-"	"DTXSID9027231"	"CC(C)(CO)C=O"	"InChI=1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3"	"JJMOMMLADQPZNY-UHFFFAOYSA-N"	"?"
"2248"	"67-07-2"	"Glycine, N-[imino(phosphonoamino)methyl]-N-methyl-"	"DTXSID0058776"	"CN(CC(O)=O)C(=N)NP(O)(O)=O"	"InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)"	"DRBBFCLWYRJSJZ-UHFFFAOYSA-N"	"?"
"2249"	"555-57-7"	"Pargyline"	"DTXSID3023423"	"CN(CC#C)CC1C=CC=CC=1"	"InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3"	"DPWPWRLQFGFJFI-UHFFFAOYSA-N"	"?"
"2250"	"57165-49-8"	"Pyrrolidine, 1-(3-(1,3-benzodioxol-5-yl)-1-(2-(1,3-benzodioxol-5-yl)ethyl)propyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (salt)"	"DTXSID60205812"	"C1OC2C=CC(CCC(CCC3=CC4OCOC=4C=C3)N3CCCC3)=CC=2O1"	"InChI=1S/C23H27NO4/c1-2-12-24(11-1)19(7-3-17-5-9-20-22(13-17)27-15-25-20)8-4-18-6-10-21-23(14-18)28-16-26-21/h5-6,9-10,13-14,19H,1-4,7-8,11-12,15-16H2"	"CLRFMGFMVPVKHR-UHFFFAOYSA-N"	"OC(CC(O)=O)(CC(O)=O)C(O)=O"
"2251"	"821-10-3"	"1,4-Dichloro-2-butyne"	"DTXSID0061165"	"ClCC#CCCl"	"InChI=1S/C4H4Cl2/c5-3-1-2-4-6/h3-4H2"	"RCHDLEVSZBOHOS-UHFFFAOYSA-N"	"?"
"2252"	"58182-63-1"	"Itanoxone"	"DTXSID40206908"	"C=C(CC(=O)C1C=CC(=CC=1)C1C=CC=CC=1Cl)C(O)=O"	"InChI=1S/C17H13ClO3/c1-11(17(20)21)10-16(19)13-8-6-12(7-9-13)14-4-2-3-5-15(14)18/h2-9H,1,10H2,(H,20,21)"	"HJWLWNLAIBFKDO-UHFFFAOYSA-N"	"?"
"2253"	"111-59-1"	"9-Octadecenoic acid (9Z)-, propyl ester"	"DTXSID0059405"	"CCCCCCCCC=CCCCCCCCC(=O)OCCC"	"InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h11-12H,3-10,13-20H2,1-2H3"	"BVWMJLIIGRDFEI-UHFFFAOYSA-N"	"?"
"2254"	"64011-53-6"			"OC(CO)C1CC=CCC1"	"InChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h1-2,7-10H,3-6H2"	"NPZGQIIAVOOHNM-UHFFFAOYSA-N"	"?"
"2255"	"68480-14-8"	"1-(3,5,6-Trimethyl-3-cyclohexen-1-yl)ethan-1-one"	"DTXSID0052413"	"CC1CC(C(C)C(C)C=1)C(C)=O"	"InChI=1S/C11H18O/c1-7-5-8(2)9(3)11(6-7)10(4)12/h5,8-9,11H,6H2,1-4H3"	"KJJMTKOKFXURKM-UHFFFAOYSA-N"	"?"
"2256"	"18699-02-0"	"4-Acetylaminophenylacetic acid"	"DTXSID0020020"	"CC(=O)NC1C=CC(CC(O)=O)=CC=1"	"InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)"	"MROJXXOCABQVEF-UHFFFAOYSA-N"	"?"
"2257"	"81-81-2"	"Warfarin"	"DTXSID5023742"	"CC(=O)CC(C1=C(O)C2=CC=CC=C2OC1=O)C1C=CC=CC=1"	"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3"	"PJVWKTKQMONHTI-UHFFFAOYSA-N"	"?"
"2258"	"2618-47-5"	"1-Penten-3-one, 4-methyl-1-(4-morpholinyl)-"	"DTXSID0062555"	"CC(C)C(=O)C=CN1CCOCC1"	"InChI=1S/C10H17NO2/c1-9(2)10(12)3-4-11-5-7-13-8-6-11/h3-4,9H,5-8H2,1-2H3"	"BCYONEHLSYPXPY-UHFFFAOYSA-N"	"?"
"2259"	"99-08-1"	"3-Nitrotoluene"	"DTXSID5021831"	"CC1=CC(=CC=C1)[N+]([O-])=O"	"InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3"	"QZYHIOPPLUPUJF-UHFFFAOYSA-N"	"?"
"2260"	"762-49-2"	"Ethane, 1-bromo-2-fluoro-"	"DTXSID6073233"	"FCCBr"	"InChI=1S/C2H4BrF/c3-1-2-4/h1-2H2"	"JTLAIKFGRHDNQM-UHFFFAOYSA-N"	"?"
"2261"	"128-84-7"	"9,10-Anthracenedione, 1,4-diamino-2,3-dihydroxy-"	"DTXSID0059582"	"NC1=C2C(C(=O)C3C=CC=CC=3C2=O)=C(N)C(O)=C1O"	"InChI=1S/C14H10N2O4/c15-9-7-8(10(16)14(20)13(9)19)12(18)6-4-2-1-3-5(6)11(7)17/h1-4,19-20H,15-16H2"	"OFIYINUGSZSGAW-UHFFFAOYSA-N"	"?"
"2262"	"702-75-0"	"6,10-Dioxaspiro[4.5]decane, 8,8-dimethyl-"	"DTXSID0061034"	"CC1(C)COC2(CCCC2)OC1"	"InChI=1S/C10H18O2/c1-9(2)7-11-10(12-8-9)5-3-4-6-10/h3-8H2,1-2H3"	"JOXSTTXXTNBJRU-UHFFFAOYSA-N"	"?"
"2263"	"1982-42-9"	"Acetamide, 2-(2,4-dichlorophenoxy)-"	"DTXSID00173541"	"NC(=O)COC1C=CC(Cl)=CC=1Cl"	"InChI=1S/C8H7Cl2NO2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H2,11,12)"	"VGVRFARTWVJNQC-UHFFFAOYSA-N"	"?"
"2264"	"926-02-3"	"Propane, 2-(ethenyloxy)-2-methyl-"	"DTXSID0061290"	"CC(C)(C)OC=C"	"InChI=1S/C6H12O/c1-5-7-6(2,3)4/h5H,1H2,2-4H3"	"PGYJSURPYAAOMM-UHFFFAOYSA-N"	"?"
"2265"	"86-49-7"	"Benzenamine, 2-chloro-N,N-diethyl-4-nitro-"	"DTXSID0058938"	"CCN(CC)C1=CC=C(C=C1Cl)[N+]([O-])=O"	"InChI=1S/C10H13ClN2O2/c1-3-12(4-2)10-6-5-8(13(14)15)7-9(10)11/h5-7H,3-4H2,1-2H3"	"PCVJAZCSKCCKPQ-UHFFFAOYSA-N"	"?"
"2266"	"16111-62-9"	"Peroxydicarbonic acid, bis(2-ethylhexyl) ester"	"DTXSID5027778"	"CCCCC(COC(=O)OOC(=O)OCC(CCCC)CC)CC"	"InChI=1S/C18H34O6/c1-5-9-11-15(7-3)13-21-17(19)23-24-18(20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3"	"ZACVGCNKGYYQHA-UHFFFAOYSA-N"	"?"
"2267"	"2612-02-4"	"Benzoic acid, 2-hydroxy-5-methoxy-"	"DTXSID0062551"	"COC1C=CC(O)=C(C=1)C(O)=O"	"InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)"	"IZZIWIAOVZOBLF-UHFFFAOYSA-N"	"?"
"2268"	"3072-84-2"	"2,2'-[(1-Methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxymethylene]]bisoxirane"	"DTXSID0052700"	"CC(C)(C1=CC=C(Br)C(OCC2CO2)=C1Br)C1=CC(Br)=C(OCC2CO2)C(Br)=C1"	"InChI=1S/C21H20Br4O4/c1-21(2,11-5-16(23)19(17(24)6-11)28-9-12-7-26-12)14-3-4-15(22)20(18(14)25)29-10-13-8-27-13/h3-6,12-13H,7-10H2,1-2H3"	"KWPSZPHRZJCNLP-UHFFFAOYSA-N"	"?"
"2269"	"119-39-1"	"1(2H)-Phthalazinone"	"DTXSID4025903"	"O=C1NN=CC2=CC=CC=C21"	"InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)"	"IJAPPYDYQCXOEF-UHFFFAOYSA-N"	"?"
"2270"	"1678-93-9"	"Cyclohexane, butyl-"	"DTXSID0061876"	"CCCCC1CCCCC1"	"InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3"	"GGBJHURWWWLEQH-UHFFFAOYSA-N"	"?"
"2271"	"110-46-3"	"3-Methylbutyl nitrite"	"DTXSID9025455"	"CC(C)CCON=O"	"InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3"	"OWFXIOWLTKNBAP-UHFFFAOYSA-N"	"?"
"2272"	"623-49-4"	"Carbonocyanidic acid, ethyl ester"	"DTXSID0060771"	"CCOC(=O)C#N"	"InChI=1S/C4H5NO2/c1-2-7-4(6)3-5/h2H2,1H3"	"MSMGXWFHBSCQFB-UHFFFAOYSA-N"	"?"
"2273"	"124-64-1"	"Tetrakis(hydroxymethyl)phosphonium chloride"	"DTXSID5021330"	"OC[P+](CO)(CO)CO"	"InChI=1S/C4H12O4P/c5-1-9(2-6,3-7)4-8/h5-8H,1-4H2/q+1"	"FAUOSXUSCVJWAY-UHFFFAOYSA-N"	"[Cl-]"
"2274"	"619-21-6"	"Benzoic acid, 3-formyl-"	"DTXSID0060696"	"OC(=O)C1C=CC=C(C=1)C=O"	"InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)"	"UHDNUPHSDMOGCR-UHFFFAOYSA-N"	"?"
"2275"	"2761-09-3"	"2-Propenoic acid, 2-methyl-, 3-hydroxypropyl ester"	"DTXSID0062630"	"CC(=C)C(=O)OCCCO"	"InChI=1S/C7H12O3/c1-6(2)7(9)10-5-3-4-8/h8H,1,3-5H2,2H3"	"GNSFRPWPOGYVLO-UHFFFAOYSA-N"	"?"
"2276"	"598-73-2"	"Bromotrifluoroethene"	"DTXSID0060513"	"FC(F)=C(F)Br"	"InChI=1S/C2BrF3/c3-1(4)2(5)6"	"AYCANDRGVPTASA-UHFFFAOYSA-N"	"?"
"2277"	"73986-86-4"			"CCCCCCCCC(CC=CCl)CCCN"	"InChI=1S/C15H30ClN/c1-2-3-4-5-6-7-10-15(11-8-13-16)12-9-14-17/h8,13,15H,2-7,9-12,14,17H2,1H3"	"XNQLXAYEGVHJGL-UHFFFAOYSA-N"	"?"
"2278"	"63717-18-0"			"COP(=S)(OC)SC1OCCOC1SP(=S)(OC)OC"	"InChI=1S/C8H18O6P2S4/c1-9-15(17,10-2)19-7-8(14-6-5-13-7)20-16(18,11-3)12-4/h7-8H,5-6H2,1-4H3"	"KWTKYUMSKMZZLF-UHFFFAOYSA-N"	"?"
"2279"	"623-59-6"	"Acetamide, N-[(methylamino)carbonyl]-"	"DTXSID0060773"	"CC(=O)NC(=O)NC"	"InChI=1S/C4H8N2O2/c1-3(7)6-4(8)5-2/h1-2H3,(H2,5,6,7,8)"	"XRVHSOXXNQTWAW-UHFFFAOYSA-N"	"?"
"2280"	"615-16-7"	"2H-Benzimidazol-2-one, 1,3-dihydro-"	"DTXSID0060642"	"OC1NC2=CC=CC=C2N=1"	"InChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)"	"SILNNFMWIMZVEQ-UHFFFAOYSA-N"	"?"
"2281"	"68039-39-4"	"3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl isobutyrate"	"DTXSID0052386"	"CC(C)C(=O)OC1CC2CC1C1CC=CC21"	"InChI=1S/C14H20O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3-4,8-13H,5-7H2,1-2H3"	"NOVRMYIRGSLBER-UHFFFAOYSA-N"	"?"
"2282"	"539-03-7"	"4-Chloroacetanilide"	"DTXSID0060228"	"CC(=O)NC1C=CC(Cl)=CC=1"	"InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)"	"GGUOCFNAWIODMF-UHFFFAOYSA-N"	"?"
"2283"	"868-77-9"	"2-Hydroxyethyl methacrylate"	"DTXSID7022128"	"CC(=C)C(=O)OCCO"	"InChI=1S/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3"	"WOBHKFSMXKNTIM-UHFFFAOYSA-N"	"?"
"2284"	"512-82-3"			"OC[P+](CO)(CO)CO"	"InChI=1S/C4H12O4P/c5-1-9(2-6,3-7)4-8/h5-8H,1-4H2/q+1"	"FAUOSXUSCVJWAY-UHFFFAOYSA-N"	"[OH-]"
"2285"	"3266-23-7"	"2,3-Epoxybutane"	"DTXSID5025239"	"CC1OC1C"	"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3"	"PQXKWPLDPFFDJP-UHFFFAOYSA-N"	"?"
"2286"	"1185-59-7"	"Ethanaminium, N,N,N-triethyl-, acetate"	"DTXSID0061581"	"CC[N+](CC)(CC)CC"	"InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1"	"CBXCPBUEXACCNR-UHFFFAOYSA-N"	"C([O-])(=O)C"
"2287"	"115-21-9"	"Trichloroethylsilane"	"DTXSID7026940"	"CC[Si](Cl)(Cl)Cl"	"InChI=1S/C2H5Cl3Si/c1-2-6(3,4)5/h2H2,1H3"	"ZOYFEXPFPVDYIS-UHFFFAOYSA-N"	"?"
"2288"	"122-20-3"	"Triisopropanolamine"	"DTXSID5021415"	"CC(O)CN(CC(C)O)CC(C)O"	"InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3"	"SLINHMUFWFWBMU-UHFFFAOYSA-N"	"?"
"2289"	"6420-47-9"	"Dinoseb-trolamine"	"DTXSID5034989"	"CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3"	"OWZPCEFYPSAJFR-UHFFFAOYSA-N"	"C(CN(CCO)CCO)O"
"2290"	"94-83-7"	"2-(2,4-Dichlorophenoxy)ethyl benzoate"	"DTXSID8041296"	"O=C(OCCOC1C=CC(Cl)=CC=1Cl)C1C=CC=CC=1"	"InChI=1S/C15H12Cl2O3/c16-12-6-7-14(13(17)10-12)19-8-9-20-15(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2"	"LGURYBCSJPXHTF-UHFFFAOYSA-N"	"?"
"2291"	"589-93-5"	"2,5-Dimethylpyridine"	"DTXSID0060436"	"CC1C=NC(C)=CC=1"	"InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3"	"XWKFPIODWVPXLX-UHFFFAOYSA-N"	"?"
"2292"	"618-94-0"	"Benzoic acid, 3-nitro-, hydrazide"	"DTXSID0060690"	"NNC(=O)C1=CC(=CC=C1)[N+]([O-])=O"	"InChI=1S/C7H7N3O3/c8-9-7(11)5-2-1-3-6(4-5)10(12)13/h1-4H,8H2,(H,9,11)"	"NQEWXLVDAVTOHM-UHFFFAOYSA-N"	"?"
"2293"	"72977-18-5"			"NC1=CC=C(C=C1)C(O)=O"	"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)"	"ALYNCZNDIQEVRV-UHFFFAOYSA-N"	"OP(=O)(O)O"
"2294"	"608-80-0"	"Benzenehexol"	"DTXSID0060563"	"OC1C(O)=C(O)C(O)=C(O)C=1O"	"InChI=1S/C6H6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H"	"VWPUAXALDFFXJW-UHFFFAOYSA-N"	"?"
"2295"	"3634-83-1"	"1,3-Bis(isocyanatomethyl)benzene"	"DTXSID5038919"	"O=C=NCC1C=C(CN=C=O)C=CC=1"	"InChI=1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2"	"RTTZISZSHSCFRH-UHFFFAOYSA-N"	"?"
"2296"	"76-93-7"	"Benzilic acid"	"DTXSID0058805"	"OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)"	"UKXSKSHDVLQNKG-UHFFFAOYSA-N"	"?"
"2297"	"615-21-4"	"2(3H)-Benzothiazolone, hydrazone"	"DTXSID0060644"	"NNC1=NC2=CC=CC=C2S1"	"InChI=1S/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)"	"JYSUYJCLUODSLN-UHFFFAOYSA-N"	"?"
"2298"	"120-08-1"	"Scoparone"	"DTXSID10152640"	"COC1=CC2C=CC(=O)OC=2C=C1OC"	"InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3"	"GUAFOGOEJLSQBT-UHFFFAOYSA-N"	"?"
"2299"	"80834-61-3"	"2(1H)-Quinolinone, 3,4-dihydro-6-(4-(4-(2-chlorophenyl)-1-piperazinyl)butyl)-"	"DTXSID30230651"	"O=C1CCC2=CC(CCCCN3CCN(CC3)C3=CC=CC=C3Cl)=CC=C2N1"	"InChI=1S/C23H28ClN3O/c24-20-6-1-2-7-22(20)27-15-13-26(14-16-27)12-4-3-5-18-8-10-21-19(17-18)9-11-23(28)25-21/h1-2,6-8,10,17H,3-5,9,11-16H2,(H,25,28)"	"PQWIGXJLLNZIPJ-UHFFFAOYSA-N"	"?"
"2300"	"115-28-6"	"Chlorendic acid"	"DTXSID2020268"	"OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl"	"InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)"	"DJKGDNKYTKCJKD-UHFFFAOYSA-N"	"?"
"2301"	"59375-57-4"			"CNC(=O)ON=C1CS(=O)CCS1"	"InChI=1S/C6H10N2O3S2/c1-7-6(9)11-8-5-4-13(10)3-2-12-5/h2-4H2,1H3,(H,7,9)"	"WMJAOBLEVKPJKZ-UHFFFAOYSA-N"	"?"
"2302"	"620-71-3"	"N-Phenylpropanamide"	"DTXSID0060721"	"CCC(=O)NC1C=CC=CC=1"	"InChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)"	"ZTHRQJQJODGZHV-UHFFFAOYSA-N"	"?"
"2303"	"2463-45-8"	"1,3-Dioxolan-2-one, 4-(chloromethyl)-"	"DTXSID30883848"	"O=C1OCC(CCl)O1"	"InChI=1S/C4H5ClO3/c5-1-3-2-7-4(6)8-3/h3H,1-2H2"	"LFEAJBLOEPTINE-UHFFFAOYSA-N"	"?"
"2304"	"50-99-7"	"D-Glucose"	"DTXSID7022910"	"OCC1OC(O)C(O)C(O)C1O"	"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2"	"WQZGKKKJIJFFOK-UHFFFAOYSA-N"	"?"
"2305"	"74007-97-9"			"CC1(C)SCN(C1C(O)=O)C(=O)C1(CCCCC1)OC1C=CC(Cl)=CC=1"	"InChI=1S/C19H24ClNO4S/c1-18(2)15(16(22)23)21(12-26-18)17(24)19(10-4-3-5-11-19)25-14-8-6-13(20)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,22,23)"	"RAXLZMWZQCBDDM-UHFFFAOYSA-N"	"?"
"2306"	"122-27-0"	"Benzeneacetic acid, 3-methylphenyl ester"	"DTXSID0059538"	"CC1=CC(=CC=C1)OC(=O)CC1C=CC=CC=1"	"InChI=1S/C15H14O2/c1-12-6-5-9-14(10-12)17-15(16)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3"	"LSWZGOVODYFNQO-UHFFFAOYSA-N"	"?"
"2307"	"80-18-2"	"Methyl benzenesulphonate"	"DTXSID5052549"	"COS(=O)(=O)C1C=CC=CC=1"	"InChI=1S/C7H8O3S/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3"	"CZXGXYBOQYQXQD-UHFFFAOYSA-N"	"?"
"2308"	"76858-53-2"	"1,3-Dithiolan-2-one, O-((((1,1-dimethylethyl)dithio)methylamino)carbonyl)oxime"	"DTXSID10227665"	"CN(SSC(C)(C)C)C(=O)ON=C1SCCS1"	"InChI=1S/C9H16N2O2S4/c1-9(2,3)16-17-11(4)8(12)13-10-7-14-5-6-15-7/h5-6H2,1-4H3"	"VJMCDMPLTRMFMA-UHFFFAOYSA-N"	"?"
"2309"	"152-47-6"	"Sulfalene"	"DTXSID2046179"	"COC1N=CC=NC=1NS(=O)(=O)C1C=CC(N)=CC=1"	"InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)"	"KXRZBTAEDBELFD-UHFFFAOYSA-N"	"?"
"2310"	"109-82-0"	"Acetonitrile, (methyleneamino)-"	"DTXSID0059378"	"C=NCC#N"	"InChI=1S/C3H4N2/c1-5-3-2-4/h1,3H2"	"GFZMFCVDDFHSJK-UHFFFAOYSA-N"	"?"
"2311"	"16071-86-6"	"C.I. Direct Brown 95"	"DTXSID3020201"	"OC(=O)C1=CC(=CC=C1O)N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1=C(O)C(=CC=C1O)N=NC1=CC(=CC=C1O)S(O)(=O)=O"	"InChI=1S/C31H22N6O9S/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39/h1-16,38-41H,(H,42,43)(H,44,45,46)"	"GFYHNSHGXNCVGD-UHFFFAOYSA-N"	"[Na+].[Na+].[Cu+2]"
"2312"	"140-76-1"	"2-Methyl-5-vinylpyridine"	"DTXSID2059699"	"CC1=CC=C(C=N1)C=C"	"InChI=1S/C8H9N/c1-3-8-5-4-7(2)9-6-8/h3-6H,1H2,2H3"	"VJOWMORERYNYON-UHFFFAOYSA-N"	"?"
"2313"	"2893-80-3"	"Benzoic acid, 5-[[4'-[[2,4-dihydroxy-3-[(4-sulfophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, disodium salt"	"DTXSID0062688"	"OC(=O)C1=CC(=CC=C1O)N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1=CC=C(O)C(N=NC2C=CC(=CC=2)S(O)(=O)=O)=C1O"	"InChI=1S/C31H22N6O8S/c38-27-15-11-23(17-25(27)31(41)42)35-32-20-5-1-18(2-6-20)19-3-7-21(8-4-19)33-36-26-14-16-28(39)29(30(26)40)37-34-22-9-12-24(13-10-22)46(43,44)45/h1-17,38-40H,(H,41,42)(H,43,44,45)"	"MFKIBHRWIGTPSD-UHFFFAOYSA-N"	"[Na+].[Na+]"
"2314"	"5090-37-9"	"Metizoline hydrochloride"	"DTXSID00198931"	"CC1SC2C=CC=CC=2C=1CC1NCCN=1"	"InChI=1S/C13H14N2S/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9/h2-5H,6-8H2,1H3,(H,14,15)"	"NDNKHWUXXOFHTD-UHFFFAOYSA-N"	"Cl"
"2315"	"88949-33-1"			"O=C1N=C(C2C1=C(NC2=O)C1C=CC(=CC=1)C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1"	"InChI=1S/C30H20N2O2/c33-29-25-26(28(32-29)24-17-13-22(14-18-24)20-9-5-2-6-10-20)30(34)31-27(25)23-15-11-21(12-16-23)19-7-3-1-4-8-19/h1-18,25H,(H,32,33)"	"PILFPAPKIZPSIA-UHFFFAOYSA-N"	"?"
"2316"	"761-65-9"	"N,N-Dibutylformamide"	"DTXSID3022114"	"CCCCN(CCCC)C=O"	"InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3"	"NZMAJUHVSZBJHL-UHFFFAOYSA-N"	"?"
"2317"	"874-90-8"	"4-Anisonitrile"	"DTXSID0052596"	"COC1C=CC(=CC=1)C#N"	"InChI=1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3"	"XDJAAZYHCCRJOK-UHFFFAOYSA-N"	"?"
"2318"	"405-50-5"	"Benzeneacetic acid, 4-fluoro-"	"DTXSID0059956"	"OC(=O)CC1C=CC(F)=CC=1"	"InChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)"	"MGKPFALCNDRSQD-UHFFFAOYSA-N"	"?"
"2319"	"3605-31-0"	"1H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-"	"DTXSID8063098"	"CC(C)(C)C1=CC=C2CCC(C)(C)C2=C1"	"InChI=1S/C15H22/c1-14(2,3)12-7-6-11-8-9-15(4,5)13(11)10-12/h6-7,10H,8-9H2,1-5H3"	"ZGPWHILODVHWKJ-UHFFFAOYSA-N"	"?"
"2320"	"510-13-4"	"Benzenemethanol, 4-(dimethylamino)-.alpha.-[4-(dimethylamino)phenyl]-.alpha.-phenyl-"	"DTXSID0060149"	"CN(C)C1C=CC(=CC=1)C(O)(C1C=CC=CC=1)C1C=CC(=CC=1)N(C)C"	"InChI=1S/C23H26N2O/c1-24(2)21-14-10-19(11-15-21)23(26,18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,26H,1-4H3"	"LXHOGENDFZKPSF-UHFFFAOYSA-N"	"?"
"2321"	"4695-62-9"	"d-Fenchone"	"DTXSID60858862"	"CC1(C)C2CC(C)(CC2)C1=O"	"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3"	"LHXDLQBQYFFVNW-UHFFFAOYSA-N"	"?"
"2322"	"93-37-8"	"Quinoline, 2,7-dimethyl-"	"DTXSID0059085"	"CC1C=C2N=C(C)C=CC2=CC=1"	"InChI=1S/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3"	"QXKPLNCZSFACPU-UHFFFAOYSA-N"	"?"
"2323"	"6483-64-3"	"C.I.Solvent Red 18"	"DTXSID0052332"	"COC1C=C(C=CC=1N=NC1C2=CC=CC=C2C=CC=1O)C(C1C=CC=CC=1)C1C=C(OC)C(=CC=1)N=NC1C=C2C=CC=CC2=CC=1O"	"InChI=1S/C41H32N4O4/c1-48-38-24-30(16-19-33(38)42-44-35-22-28-13-6-7-14-29(28)23-37(35)47)40(27-11-4-3-5-12-27)31-17-20-34(39(25-31)49-2)43-45-41-32-15-9-8-10-26(32)18-21-36(41)46/h3-25,40,46-47H,1-2H3"	"FRENQAOPFCZIIV-UHFFFAOYSA-N"	"?"
"2324"	"602-01-7"	"2,3-Dinitrotoluene"	"DTXSID4027236"	"CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3"	"DYSXLQBUUOPLBB-UHFFFAOYSA-N"	"?"
"2325"	"67-92-5"	"2-Diethylaminoethyl bicyclohexyl-1-carboxylate hydrochloride"	"DTXSID0058778"	"CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC"	"InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3"	"CURUTKGFNZGFSE-UHFFFAOYSA-N"	"Cl"
"2326"	"546-45-2"	"Cyclotrisiloxane, 2,4,6-trimethyl-2,4,6-triphenyl-"	"DTXSID0060272"	"C[Si]1(O[Si](C)(O[Si](C)(O1)C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C21H24O3Si3/c1-25(19-13-7-4-8-14-19)22-26(2,20-15-9-5-10-16-20)24-27(3,23-25)21-17-11-6-12-18-21/h4-18H,1-3H3"	"HAURRGANAANPSQ-UHFFFAOYSA-N"	"?"
"2327"	"10140-84-8"	"Ethane, 1-(2,4-dichlorophenoxy)-2-ethoxy-"	"DTXSID90143910"	"CCOCCOC1C=CC(Cl)=CC=1Cl"	"InChI=1S/C10H12Cl2O2/c1-2-13-5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6H2,1H3"	"XFTJLWMVEBPEKO-UHFFFAOYSA-N"	"?"
"2328"	"1072-63-5"	"1H-Imidazole, 1-ethenyl-"	"DTXSID0061458"	"C=CN1C=NC=C1"	"InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2"	"OSSNTDFYBPYIEC-UHFFFAOYSA-N"	"?"
"2329"	"874-14-6"	"2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-"	"DTXSID0061244"	"CN1C=CC(=O)N(C)C1=O"	"InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3"	"JSDBKAHWADVXFU-UHFFFAOYSA-N"	"?"
"2330"	"2894-67-9"	"Delorazepam"	"DTXSID70183137"	"O=C1CN=C(C2C=C(Cl)C=CC=2N1)C1C=CC=CC=1Cl"	"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)"	"CHIFCDOIPRCHCF-UHFFFAOYSA-N"	"?"
"2331"	"3268-19-7"			"COC1C(=CC(=CC=1OC)C1C2C(COC2=O)C(OC2OC3COC(OC3C(O)C2O)C2C=CC=CC=2)C2C=C3OCOC3=CC=21)OC"	"InChI=1S/C35H36O13/c1-39-23-9-17(10-24(40-2)31(23)41-3)26-18-11-21-22(45-15-44-21)12-19(18)30(20-13-42-33(38)27(20)26)47-35-29(37)28(36)32-25(46-35)14-43-34(48-32)16-7-5-4-6-8-16/h4-12,20,25-30,32,34-37H,13-15H2,1-3H3"	"SBPPWJIDARICBS-UHFFFAOYSA-N"	"?"
"2332"	"2540-82-1"	"Formothion"	"DTXSID4041991"	"CN(C=O)C(=O)CSP(=S)(OC)OC"	"InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3"	"AIKKULXCBHRFOS-UHFFFAOYSA-N"	"?"
"2333"	"2422-88-0"	"Tributylthiourea"	"DTXSID2062400"	"CCCCNC(=S)N(CCCC)CCCC"	"InChI=1S/C13H28N2S/c1-4-7-10-14-13(16)15(11-8-5-2)12-9-6-3/h4-12H2,1-3H3,(H,14,16)"	"UDYXMTORTDACTG-UHFFFAOYSA-N"	"?"
"2334"	"100-88-9"	"Cyclamic acid"	"DTXSID5041809"	"OS(=O)(=O)NC1CCCCC1"	"InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)"	"HCAJEUSONLESMK-UHFFFAOYSA-N"	"?"
"2335"	"99129-21-2"	"Clethodim"	"DTXSID3034458"	"CC(CC1CC(O)=C(C(=O)C1)C(CC)=NOCC=CCl)SCC"	"InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3"	"SILSDTWXNBZOGF-UHFFFAOYSA-N"	"?"
"2336"	"93-61-8"	"Formamide, N-methyl-N-phenyl-"	"DTXSID0059089"	"CN(C=O)C1C=CC=CC=1"	"InChI=1S/C8H9NO/c1-9(7-10)8-5-3-2-4-6-8/h2-7H,1H3"	"JIKUXBYRTXDNIY-UHFFFAOYSA-N"	"?"
"2337"	"620-81-5"	"Ethanediamide, N,N'-diphenyl-"	"DTXSID0060723"	"O=C(NC1C=CC=CC=1)C(=O)NC1C=CC=CC=1"	"InChI=1S/C14H12N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)"	"FTWUXYZHDFCGSV-UHFFFAOYSA-N"	"?"
"2338"	"2885-00-9"	"1-Octadecanethiol"	"DTXSID0062686"	"CCCCCCCCCCCCCCCCCCS"	"InChI=1S/C18H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3"	"QJAOYSPHSNGHNC-UHFFFAOYSA-N"	"?"
"2339"	"1767-12-0"	"Acetamide, N-[4-(1H-imidazol-2-ylazo)phenyl]-"	"DTXSID0061955"	"CC(=O)NC1C=CC(=CC=1)N=NC1NC=CN=1"	"InChI=1S/C11H11N5O/c1-8(17)14-9-2-4-10(5-3-9)15-16-11-12-6-7-13-11/h2-7H,1H3,(H,12,13)(H,14,17)"	"KWWZMTLDAQHYAR-UHFFFAOYSA-N"	"?"
"2340"	"556-53-6"	"Propylamine hydrochloride"	"DTXSID0060301"	"CCCN"	"InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3"	"WGYKZJWCGVVSQN-UHFFFAOYSA-N"	"Cl"
"2341"	"50-48-6"	"Amitriptyline"	"DTXSID7022594"	"CN(C)CC/C=C1\C2=CC=CC=C2CCC2C=CC=CC=2\1"	"InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3"	"KRMDCWKBEZIMAB-UHFFFAOYSA-N"	"?"
"2342"	"76-84-6"	"Benzenemethanol, .alpha.,.alpha.-diphenyl-"	"DTXSID0058803"	"OC(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H"	"LZTRCELOJRDYMQ-UHFFFAOYSA-N"	"?"
"2343"	"1191-08-8"	"1,4-Butanedithiol"	"DTXSID0061589"	"SCCCCS"	"InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2"	"SMTOKHQOVJRXLK-UHFFFAOYSA-N"	"?"
"2344"	"467-63-0"	"C.I.Solvent Violet 9"	"DTXSID1052115"	"CN(C)C1C=CC(=CC=1)C(O)(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C"	"InChI=1S/C25H31N3O/c1-26(2)22-13-7-19(8-14-22)25(29,20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,29H,1-6H3"	"QFVDKARCPMTZCS-UHFFFAOYSA-N"	"?"
"2345"	"13665-88-8"	"Mopidamol"	"DTXSID30159878"	"OCCN(CCO)C1N=C(C2N=C(N=CC=2N=1)N(CCO)CCO)N1CCCCC1"	"InChI=1S/C19H31N7O4/c27-10-6-25(7-11-28)18-20-14-15-16(22-18)17(24-4-2-1-3-5-24)23-19(21-15)26(8-12-29)9-13-30/h14,27-30H,1-13H2"	"FOYWNSCCNCUEPU-UHFFFAOYSA-N"	"?"
"2346"	"817-95-8"	"Acetic acid, ethoxy-, ethyl ester"	"DTXSID0061161"	"CCOCC(=O)OCC"	"InChI=1S/C6H12O3/c1-3-8-5-6(7)9-4-2/h3-5H2,1-2H3"	"CKSRFHWWBKRUKA-UHFFFAOYSA-N"	"?"
"2347"	"530-93-8"	"2-Tetralone"	"DTXSID0060193"	"O=C1CC2C=CC=CC=2CC1"	"InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2"	"KCKZIWSINLBROE-UHFFFAOYSA-N"	"?"
"2348"	"2997-01-5"	"1-Propanamine, 3,3'-[1,2-ethanediylbis(oxy)]bis-"	"DTXSID0062761"	"NCCCOCCOCCCN"	"InChI=1S/C8H20N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-10H2"	"POTQBGGWSWSMCX-UHFFFAOYSA-N"	"?"
"2349"	"466-06-8"	"Proscillaridin"	"DTXSID5023532"	"CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2=COC(=O)C=C2)C(O)C(O)C1O"	"InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3"	"MYEJFUXQJGHEQK-UHFFFAOYSA-N"	"?"
"2350"	"54266-80-7"	"1,3-OXATHIOLAN-4-ONE, 5-PROPYL-, O-[(METHYLAMINO"	"DTXSID40875759"	"CN=C(O)ON=C1SCOC1CCC"	"InChI=1S/C8H14N2O3S/c1-3-4-6-7(14-5-12-6)10-13-8(11)9-2/h6H,3-5H2,1-2H3,(H,9,11)"	"JDOFONHTNPZLDC-UHFFFAOYSA-N"	"?"
"2351"	"156-51-4"	"Phenylethylhydrazine sulfate"	"DTXSID3021144"	"NNCCC1C=CC=CC=1"	"InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2"	"RMUCZJUITONUFY-UHFFFAOYSA-N"	"S(O)(O)(=O)=O"
"2352"	"2870-71-5"	"Atropine methylbromide"	"DTXSID2045103"	"C[N+]1(C)C2CC(CC1CC2)OC(=O)C(CO)C1C=CC=CC=1"	"InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1"	"PIPAJLPNWZMYQA-UHFFFAOYSA-N"	"[Br-]"
"2353"	"118-03-6"	"1,3,6-Naphthalenetrisulfonic acid, 7-amino-"	"DTXSID4059465"	"NC1=CC2=C(C=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C10H9NO9S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)"	"GFPQSWFFPRQEHH-UHFFFAOYSA-N"	"?"
"2354"	"1000-56-2"	"Sulfuric acid, monopropyl ester, sodium salt"	"DTXSID0061377"	"CCCOS(O)(=O)=O"	"InChI=1S/C3H8O4S/c1-2-3-7-8(4,5)6/h2-3H2,1H3,(H,4,5,6)"	"TYRGSDXYMNTMML-UHFFFAOYSA-N"	"[Na+]"
"2355"	"89-37-2"	"Carbamodithioic acid, dimethyl-, 2,4-dinitrophenyl ester"	"DTXSID0058986"	"CN(C)C(=S)SC1C=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C9H9N3O4S2/c1-10(2)9(17)18-8-4-3-6(11(13)14)5-7(8)12(15)16/h3-5H,1-2H3"	"AIWZJEMZVHJAQB-UHFFFAOYSA-N"	"?"
"2356"	"23795-03-1"	"Probenecid sodium"	"DTXSID80178478"	"CCCN(CCC)S(=O)(=O)C1C=CC(=CC=1)C(O)=O"	"InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)"	"DBABZHXKTCFAPX-UHFFFAOYSA-N"	"[Na+]"
"2357"	"81-59-4"	"9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-"	"DTXSID0058851"	"OC1CCC(=O)C2C=1C(=O)C1C(C2=O)=C(O)C=CC=1O"	"InChI=1S/C14H10O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-2,11,15-16,18H,3-4H2"	"NTZPESYZSXBNGH-UHFFFAOYSA-N"	"?"
"2358"	"546-74-7"	"Sulfuric acid, monoethyl ester, sodium salt"	"DTXSID0060274"	"CCOS(O)(=O)=O"	"InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)"	"KIWBPDUYBMNFTB-UHFFFAOYSA-N"	"[Na+]"
"2359"	"63937-32-6"			"CCCCOC1CC1C(=O)OCCCC"	"InChI=1S/C12H22O3/c1-3-5-7-14-11-9-10(11)12(13)15-8-6-4-2/h10-11H,3-9H2,1-2H3"	"OJUUXCCHJGMHEO-UHFFFAOYSA-N"	"?"
"2360"	"111-74-0"	"1,2-Ethanediamine, N,N'-diethyl-"	"DTXSID0059409"	"CCNCCNCC"	"InChI=1S/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3"	"CJKRXEBLWJVYJD-UHFFFAOYSA-N"	"?"
"2361"	"623-87-0"			"[O-][N+](=O)OCC(O)CO[N+]([O-])=O"	"InChI=1S/C3H6N2O7/c6-3(1-11-4(7)8)2-12-5(9)10/h3,6H,1-2H2"	"ASIGVDLTBLZXNC-UHFFFAOYSA-N"	"?"
"2362"	"944-22-9"	"Fonofos"	"DTXSID2024113"	"CCP(=S)(OCC)SC1C=CC=CC=1"	"InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3"	"KVGLBTYUCJYMND-UHFFFAOYSA-N"	"?"
"2363"	"1972-08-3"	"1-trans-delta-9-Tetrahydrocannabinol"	"DTXSID6021327"	"CC1CCC2C(C=1)C1C(O)=CC(CCCCC)=CC=1OC2(C)C"	"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3"	"CYQFCXCEBYINGO-UHFFFAOYSA-N"	"?"
"2364"	"2909-38-8"	"m-Chlorophenyl isocyanate"	"DTXSID1062702"	"O=C=NC1C=CC=C(Cl)C=1"	"InChI=1S/C7H4ClNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H"	"HHIRBXHEYVDUAM-UHFFFAOYSA-N"	"?"
"2365"	"2652-77-9"	"2,5-PYRAZOLIDINDIONE,1,2-DIPHENYL"	"DTXSID60877699"	"O=C1CC(=O)N(C2C=CC=CC=2)N1C1C=CC=CC=1"	"InChI=1S/C15H12N2O2/c18-14-11-15(19)17(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,11H2"	"XDPKQGKEOCYMQC-UHFFFAOYSA-N"	"?"
"2366"	"74-87-3"	"Chloromethane"	"DTXSID0021541"	"CCl"	"InChI=1S/CH3Cl/c1-2/h1H3"	"NEHMKBQYUWJMIP-UHFFFAOYSA-N"	"?"
"2367"	"145783-14-8"	"4,6-Dichloro-5-nitro-2-(propylsulfanyl)pyrimidine"	"DTXSID50624098"	"CCCSC1=NC(Cl)=C(C(Cl)=N1)[N+]([O-])=O"	"InChI=1S/C7H7Cl2N3O2S/c1-2-3-15-7-10-5(8)4(12(13)14)6(9)11-7/h2-3H2,1H3"	"DDEDQHVHVPJFAC-UHFFFAOYSA-N"	"?"
"2368"	"151-00-8"	"Propanal, 2-methyl-, oxime"	"DTXSID0059742"	"CC(C)CN=O"	"InChI=1S/C4H9NO/c1-4(2)3-5-6/h4H,3H2,1-2H3"	"SNQJKKSKNGYXET-UHFFFAOYSA-N"	"?"
"2369"	"5790-91-0"	"2-Benzoxazolinone, 5-chloro-3-ethyl-"	"DTXSID60206622"	"CCN1C(=O)OC2C=CC(Cl)=CC1=2"	"InChI=1S/C9H8ClNO2/c1-2-11-7-5-6(10)3-4-8(7)13-9(11)12/h3-5H,2H2,1H3"	"NGNSUTIRTDXXGA-UHFFFAOYSA-N"	"?"
"2370"	"88-97-1"	"Benzoic acid, 2-(aminocarbonyl)-"	"DTXSID0058980"	"NC(=O)C1=CC=CC=C1C(O)=O"	"InChI=1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12)"	"CYMRPDYINXWJFU-UHFFFAOYSA-N"	"?"
"2371"	"6294-34-4"	"Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester"	"DTXSID8027618"	"O=P(CCCl)(OCCCl)OCCCl"	"InChI=1S/C6H12Cl3O3P/c7-1-4-11-13(10,6-3-9)12-5-2-8/h1-6H2"	"XXIDKSWYSYEFAG-UHFFFAOYSA-N"	"?"
"2372"	"78-94-4"	"Methyl vinyl ketone"	"DTXSID3025671"	"CC(=O)C=C"	"InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3"	"FUSUHKVFWTUUBE-UHFFFAOYSA-N"	"?"
"2373"	"5745-14-2"	"Phosphinothioic acid, diethyl-, O-(2,4,5-trichlorophenyl) ester"	"DTXSID60206061"	"CCP(=S)(CC)OC1C=C(Cl)C(Cl)=CC=1Cl"	"InChI=1S/C10H12Cl3OPS/c1-3-15(16,4-2)14-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3"	"DOWAVBYFZFKXCW-UHFFFAOYSA-N"	"?"
"2374"	"91-92-9"	"2-Naphthalenecarboxamide, N,N'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-hydroxy-"	"DTXSID0059033"	"COC1C=C(C=CC=1NC(=O)C1C=C2C=CC=CC2=CC=1O)C1=CC(OC)=C(C=C1)NC(=O)C1C=C2C=CC=CC2=CC=1O"	"InChI=1S/C36H28N2O6/c1-43-33-19-25(11-13-29(33)37-35(41)27-15-21-7-3-5-9-23(21)17-31(27)39)26-12-14-30(34(20-26)44-2)38-36(42)28-16-22-8-4-6-10-24(22)18-32(28)40/h3-20,39-40H,1-2H3,(H,37,41)(H,38,42)"	"AXUHYNGMYQMRRI-UHFFFAOYSA-N"	"?"
"2375"	"574-98-1"	"1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-"	"DTXSID0060357"	"O=C1C2C=CC=CC=2C(=O)N1CCBr"	"InChI=1S/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2"	"CHZXTOCAICMPQR-UHFFFAOYSA-N"	"?"
"2376"	"76-62-0"	"1(3H)-Isobenzofuranone, 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-"	"DTXSID0058801"	"OC1C(Br)=CC(=CC=1Br)C1(OC(=O)C2C=CC=CC1=2)C1=CC(Br)=C(O)C(Br)=C1"	"InChI=1S/C20H10Br4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H"	"OBRGVMYQZVQHGO-UHFFFAOYSA-N"	"?"
"2377"	"2216-92-4"	"Glycine, N-phenyl-, ethyl ester"	"DTXSID0062264"	"CCOC(=O)CNC1C=CC=CC=1"	"InChI=1S/C10H13NO2/c1-2-13-10(12)8-11-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3"	"MLSGRWDEDYJNER-UHFFFAOYSA-N"	"?"
"2378"	"1939-36-2"	"Trimethylenediaminetetraacetic acid"	"DTXSID9029225"	"OC(=O)CN(CC(O)=O)CCCN(CC(O)=O)CC(O)=O"	"InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)"	"DMQQXDPCRUGSQB-UHFFFAOYSA-N"	"?"
"2379"	"61278-98-6"			"CCNC1CCCCC1"	"InChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3"	"AGVKXDPPPSLISR-UHFFFAOYSA-N"	"Cl"
"2380"	"608-33-3"	"Phenol, 2,6-dibromo-"	"DTXSID0060561"	"OC1C(Br)=CC=CC=1Br"	"InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H"	"SSIZLKDLDKIHEV-UHFFFAOYSA-N"	"?"
"2381"	"484-65-1"	"Benzene, (chloromethyl)pentamethyl-"	"DTXSID0060066"	"CC1=C(CCl)C(C)=C(C)C(C)=C1C"	"InChI=1S/C12H17Cl/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6H2,1-5H3"	"CXUAEBDTJFKMBV-UHFFFAOYSA-N"	"?"
"2382"	"17636-10-1"	"1-Propanesulfonic acid, 3-mercapto-, monosodium salt"	"DTXSID6066232"	"OS(=O)(=O)CCCS"	"InChI=1S/C3H8O3S2/c4-8(5,6)3-1-2-7/h7H,1-3H2,(H,4,5,6)"	"OBDVFOBWBHMJDG-UHFFFAOYSA-N"	"[Na+]"
"2383"	"93-26-5"	"N-(2-Methoxyphenyl)acetamide"	"DTXSID0052623"	"CC(=O)NC1=CC=CC=C1OC"	"InChI=1S/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11)"	"FGOFNVXHDGQVBG-UHFFFAOYSA-N"	"?"
"2384"	"999-72-4"	"Propanamide, 3,3'-dithiobis[N-methyl-"	"DTXSID0061375"	"CNC(=O)CCSSCCC(=O)NC"	"InChI=1S/C8H16N2O2S2/c1-9-7(11)3-5-13-14-6-4-8(12)10-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)"	"QUHFFYTTZGTUQQ-UHFFFAOYSA-N"	"?"
"2385"	"115-27-5"	"Chlorendic anhydride"	"DTXSID2026941"	"O=C1OC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"	"InChI=1S/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H"	"FLBJFXNAEMSXGL-UHFFFAOYSA-N"	"?"
"2386"	"2417-90-5"	"Propanenitrile, 3-bromo-"	"DTXSID0062397"	"N#CCCBr"	"InChI=1S/C3H4BrN/c4-2-1-3-5/h1-2H2"	"CQZIEDXCLQOOEH-UHFFFAOYSA-N"	"?"
"2387"	"24095-80-5"	"Ciba 2696-Go"	"DTXSID00178819"	"CNC(=S)NNC1C=C(C=C(C=1)C(F)(F)F)C(F)(F)F"	"InChI=1S/C10H9F6N3S/c1-17-8(20)19-18-7-3-5(9(11,12)13)2-6(4-7)10(14,15)16/h2-4,18H,1H3,(H2,17,19,20)"	"ORMMCUAXJAUNIG-UHFFFAOYSA-N"	"?"
"2388"	"80-17-1"	"Benzenesulfonyl hydrazide"	"DTXSID0052548"	"NNS(=O)(=O)C1C=CC=CC=1"	"InChI=1S/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2"	"VJRITMATACIYAF-UHFFFAOYSA-N"	"?"
"2389"	"2615-05-6"	"Benzenamine, 2-methoxy-4-[(2-methoxyphenyl)azo]-"	"DTXSID0062553"	"COC1C=C(C=CC=1N)N=NC1C=CC=CC=1OC"	"InChI=1S/C14H15N3O2/c1-18-13-6-4-3-5-12(13)17-16-10-7-8-11(15)14(9-10)19-2/h3-9H,15H2,1-2H3"	"UCLACBHPELKCCX-UHFFFAOYSA-N"	"?"
"2390"	"1623-05-8"	"Propane, 1,1,1,2,2,3,3-heptafluoro-3-[(trifluoroethenyl)oxy]-"	"DTXSID0061826"	"FC(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F"	"InChI=1S/C5F10O/c6-1(7)2(8)16-5(14,15)3(9,10)4(11,12)13"	"KHXKESCWFMPTFT-UHFFFAOYSA-N"	"?"
"2391"	"107-88-0"	"1,3-Butanediol"	"DTXSID8026773"	"CC(O)CCO"	"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3"	"PUPZLCDOIYMWBV-UHFFFAOYSA-N"	"?"
"2392"	"50-91-9"	"Floxuridine"	"DTXSID3023057"	"OC1CC(OC1CO)N1C=C(F)C(=O)NC1=O"	"InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)"	"ODKNJVUHOIMIIZ-UHFFFAOYSA-N"	"?"
"2393"	"91-53-2"	"Ethoxyquin"	"DTXSID9020582"	"CC1=CC(C)(C)NC2C=CC(=CC1=2)OCC"	"InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3"	"DECIPOUIJURFOJ-UHFFFAOYSA-N"	"?"
"2394"	"467-60-7"	"Pipradrol"	"DTXSID2023486"	"OC(C1CCCCN1)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C18H21NO/c20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17,19-20H,7-8,13-14H2"	"XSWHNYGMWWVAIE-UHFFFAOYSA-N"	"?"
"2395"	"2050-46-6"	"1,2-Diethoxybenzene"	"DTXSID6038798"	"CCOC1=CC=CC=C1OCC"	"InChI=1S/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H3"	"QZYDOKBVZJLQCK-UHFFFAOYSA-N"	"?"
"2396"	"161559-33-7"	"1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(methylphenylamino)ethyl)-"	"DTXSID50167192"	"CN(CCN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1C=CC=CC=1"	"InChI=1S/C16H19N5O2/c1-18(12-7-5-4-6-8-12)9-10-21-11-17-14-13(21)15(22)20(3)16(23)19(14)2/h4-8,11H,9-10H2,1-3H3"	"DJMOXMNDXFFONV-UHFFFAOYSA-N"	"?"
"2397"	"89-26-9"	"1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4,5-dihydro-5-oxo-"	"DTXSID0058982"	"NC1=CC(=CC=C1)N1N=C(CC1=O)C(O)=O"	"InChI=1S/C10H9N3O3/c11-6-2-1-3-7(4-6)13-9(14)5-8(12-13)10(15)16/h1-4H,5,11H2,(H,15,16)"	"SWHUGXBRBHHKFB-UHFFFAOYSA-N"	"?"
"2398"	"35400-43-2"	"Sulprofos"	"DTXSID8032675"	"CSC1=CC=C(C=C1)OP(=S)(OCC)SCCC"	"InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3"	"JXHJNEJVUNHLKO-UHFFFAOYSA-N"	"?"
"2399"	"370-47-8"	"m-Nitrophenyl trifluoromethyl sulfide"	"DTXSID0059900"	"[O-][N+](=O)C1C=C(C=CC=1)SC(F)(F)F"	"InChI=1S/C7H4F3NO2S/c8-7(9,10)14-6-3-1-2-5(4-6)11(12)13/h1-4H"	"LCYLLPJRCOQTHG-UHFFFAOYSA-N"	"?"
"2400"	"101-21-3"	"Chlorpropham"	"DTXSID7020764"	"CC(C)OC(=O)NC1C=C(Cl)C=CC=1"	"InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)"	"CWJSHJJYOPWUGX-UHFFFAOYSA-N"	"?"
"2401"	"404-40-0"	"p-Acetotoluidide, 2-fluoro-"	"DTXSID40193400"	"CC1=CC=C(C=C1)NC(=O)CF"	"InChI=1S/C9H10FNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)"	"CXRLWHTUHOEMLE-UHFFFAOYSA-N"	"?"
"2402"	"140-92-1"	"Proxan-potassium"	"DTXSID6046973"	"CC(C)OC(S)=S"	"InChI=1S/C4H8OS2/c1-3(2)5-4(6)7/h3H,1-2H3,(H,6,7)"	"UOJYYXATTMQQNA-UHFFFAOYSA-N"	"[K+]"
"2403"	"107-11-9"	"Allylamine"	"DTXSID8024440"	"C=CCN"	"InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2"	"VVJKKWFAADXIJK-UHFFFAOYSA-N"	"?"
"2404"	"50765-92-9"			"CC(C)=CCC(CCN1CCOCC1)(C(N)=O)C1C=CC=C2C=CC=CC2=1"	"InChI=1S/C23H30N2O2/c1-18(2)10-11-23(22(24)26,12-13-25-14-16-27-17-15-25)21-9-5-7-19-6-3-4-8-20(19)21/h3-10H,11-17H2,1-2H3,(H2,24,26)"	"IHFBWHHINXWEGS-UHFFFAOYSA-N"	"?"
"2405"	"52670-78-7"	"Phosphoramidic acid, methylphenyl-, diethyl ester"	"DTXSID60200645"	"CN(C1C=CC=CC=1)P(=O)(OCC)OCC"	"InChI=1S/C11H18NO3P/c1-4-14-16(13,15-5-2)12(3)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3"	"BWXYXRLYYLXUNV-UHFFFAOYSA-N"	"?"
"2406"	"91-59-8"	"2-Naphthylamine"	"DTXSID2020921"	"NC1C=C2C=CC=CC2=CC=1"	"InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2"	"JBIJLHTVPXGSAM-UHFFFAOYSA-N"	"?"
"2407"	"89-29-2"	"Benzenesulfonamide, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-"	"DTXSID0058984"	"CC1CC(=O)N(N=1)C1C=C(C=CC=1)S(N)(=O)=O"	"InChI=1S/C10H11N3O3S/c1-7-5-10(14)13(12-7)8-3-2-4-9(6-8)17(11,15)16/h2-4,6H,5H2,1H3,(H2,11,15,16)"	"ASVVGQURNHNITH-UHFFFAOYSA-N"	"?"
"2408"	"738-70-5"	"Trimethoprim"	"DTXSID3023712"	"COC1C=C(CC2=CN=C(N)N=C2N)C=C(OC)C=1OC"	"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)"	"IEDVJHCEMCRBQM-UHFFFAOYSA-N"	"?"
"2409"	"2539-53-9"	"Benzaldehyde, 4-ethoxy-3-hydroxy-"	"DTXSID0062505"	"CCOC1=CC=C(C=O)C=C1O"	"InChI=1S/C9H10O3/c1-2-12-9-4-3-7(6-10)5-8(9)11/h3-6,11H,2H2,1H3"	"BCLVKHGKEGFPJV-UHFFFAOYSA-N"	"?"
"2410"	"24243-89-8"	"Triflumidate"	"DTXSID80178938"	"CCOC(=O)N(C1=CC(=CC=C1)C(=O)C1C=CC=CC=1)S(=O)(=O)C(F)(F)F"	"InChI=1S/C17H14F3NO5S/c1-2-26-16(23)21(27(24,25)17(18,19)20)14-10-6-9-13(11-14)15(22)12-7-4-3-5-8-12/h3-11H,2H2,1H3"	"ULANGSAJTINEBA-UHFFFAOYSA-N"	"?"
"2411"	"17741-62-7"	"4-{4-[(2,6-Dichloro-4-nitrophenyl)diazenyl]phenyl}thiomorpholine 1,1-dioxide"	"DTXSID1051804"	"[O-][N+](=O)C1=CC(Cl)=C(N=NC2C=CC(=CC=2)N2CCS(=O)(=O)CC2)C(Cl)=C1"	"InChI=1S/C16H14Cl2N4O4S/c17-14-9-13(22(23)24)10-15(18)16(14)20-19-11-1-3-12(4-2-11)21-5-7-27(25,26)8-6-21/h1-4,9-10H,5-8H2"	"LDQKKASRFRIRPV-UHFFFAOYSA-N"	"?"
"2412"	"556-22-9"	"Glyodin"	"DTXSID1040297"	"CCCCCCCCCCCCCCCCCC1NCCN=1"	"InChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h2-19H2,1H3,(H,21,22)"	"NCVGSSQICKMAIA-UHFFFAOYSA-N"	"C(O)(=O)C"
"2413"	"677-70-3"	"2,2-Propanediol, 1,1,3,3-tetrachloro-1,3-difluoro-"	"DTXSID0060983"	"OC(O)(C(F)(Cl)Cl)C(F)(Cl)Cl"	"InChI=1S/C3H2Cl4F2O2/c4-2(5,8)1(10,11)3(6,7)9/h10-11H"	"ADCWDJKTUIBCPQ-UHFFFAOYSA-N"	"?"
"2414"	"40164-67-8"	"Amidochlor"	"DTXSID7041596"	"CC(=O)NCN(C(=O)CCl)C1C(CC)=CC=CC=1CC"	"InChI=1S/C15H21ClN2O2/c1-4-12-7-6-8-13(5-2)15(12)18(14(20)9-16)10-17-11(3)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,19)"	"QTGVGIVRLSGTJJ-UHFFFAOYSA-N"	"?"
"2415"	"305-53-3"	"Acetic acid, iodo-, sodium salt"	"DTXSID0059790"	"OC(=O)CI"	"InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)"	"JDNTWHVOXJZDSN-UHFFFAOYSA-N"	"[Na+]"
"2416"	"14007-45-5"	"Aspartic acid, potassium salt"	"DTXSID50891147"	"NC(CC(O)=O)C(O)=O"	"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)"	"CKLJMWTZIZZHCS-UHFFFAOYSA-N"	"[K+].[K+]"
"2417"	"32388-55-9"	"1-Cedr-8-en-9-ylethanone"	"DTXSID4029353"	"CC1(C)C2CC3(CC(C(C)=O)=C2C)C1CCC3C"	"InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3"	"YBUIAJZFOGJGLJ-UHFFFAOYSA-N"	"?"
"2418"	"682-08-6"	"Butane, 1-(2-propenyloxy)-2,2-bis[(2-propenyloxy)methyl]-"	"DTXSID0060987"	"CCC(COCC=C)(COCC=C)COCC=C"	"InChI=1S/C15H26O3/c1-5-9-16-12-15(8-4,13-17-10-6-2)14-18-11-7-3/h5-7H,1-3,8-14H2,4H3"	"JPTSCQGFFOSLQE-UHFFFAOYSA-N"	"?"
"2419"	"93-53-8"	"Hydratropaldehyde"	"DTXSID0052629"	"CC(C=O)C1C=CC=CC=1"	"InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3"	"IQVAERDLDAZARL-UHFFFAOYSA-N"	"?"
"2420"	"102-11-4"	"1,2-Ethanediamine, N,N'-dimethyl-N-(phenylmethyl)-"	"DTXSID0059245"	"CNCCN(C)CC1C=CC=CC=1"	"InChI=1S/C11H18N2/c1-12-8-9-13(2)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3"	"PVFIKWLTVKSXED-UHFFFAOYSA-N"	"?"
"2421"	"1053-74-3"	"Ketone, methyl 10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-yl"	"DTXSID40147064"	"CN1CCN(CCCN2C3C=C(C=CC=3SC3C=CC=CC2=3)C(C)=O)CC1"	"InChI=1S/C22H27N3OS/c1-17(26)18-8-9-22-20(16-18)25(19-6-3-4-7-21(19)27-22)11-5-10-24-14-12-23(2)13-15-24/h3-4,6-9,16H,5,10-15H2,1-2H3"	"WKCTYFQBCFYMAR-UHFFFAOYSA-N"	"?"
"2422"	"498-66-8"	"Norbornylene"	"DTXSID2022042"	"C1C2CCC1C=C2"	"InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2"	"JFNLZVQOOSMTJK-UHFFFAOYSA-N"	"?"
"2423"	"94-98-4"	"Benzenemethanamine, 2,4-dimethyl-"	"DTXSID0059114"	"CC1=CC(C)=C(CN)C=C1"	"InChI=1S/C9H13N/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,6,10H2,1-2H3"	"GBSUVYGVEQDZPG-UHFFFAOYSA-N"	"?"
"2424"	"1126-34-7"	"Benzenesulfonic acid, 3-amino-, monosodium salt"	"DTXSID0061539"	"NC1=CC(=CC=C1)S(O)(=O)=O"	"InChI=1S/C6H7NO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)"	"ZAJAQTYSTDTMCU-UHFFFAOYSA-N"	"[Na+]"
"2425"	"3240-34-4"	"Iodine, bis(acetato-.kappa.O)phenyl-"	"DTXSID0062929"	"CC(=O)OI(OC(C)=O)C1C=CC=CC=1"	"InChI=1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3"	"ZBIKORITPGTTGI-UHFFFAOYSA-N"	"?"
"2426"	"2498-03-5"	"2,5-Pyrrolidinedione, 1-[2-[ethyl(3-methylphenyl)amino]ethyl]-"	"DTXSID0062472"	"CC1C=CC=C(C=1)N(CCN1C(=O)CCC1=O)CC"	"InChI=1S/C15H20N2O2/c1-3-16(13-6-4-5-12(2)11-13)9-10-17-14(18)7-8-15(17)19/h4-6,11H,3,7-10H2,1-2H3"	"SNLLVPIXRHTWRC-UHFFFAOYSA-N"	"?"
"2427"	"492-17-1"	"2,4'-Biphenyldiamine"	"DTXSID20197709"	"NC1C=CC(=CC=1)C1C=CC=CC=1N"	"InChI=1S/C12H12N2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,13-14H2"	"RDMFEHLCCOQUMH-UHFFFAOYSA-N"	"?"
"2428"	"29091-05-2"	"Dinitramine"	"DTXSID9040265"	"CCN(CC)C1C(=CC(=C(N)C=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"InChI=1S/C11H13F3N4O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(12,13)14)8(15)10(9)18(21)22/h5H,3-4,15H2,1-2H3"	"OFDYMSKSGFSLLM-UHFFFAOYSA-N"	"?"
"2429"	"2113-51-1"	"1,1'-Biphenyl, 2-iodo-"	"DTXSID0062185"	"IC1C=CC=CC=1C1C=CC=CC=1"	"InChI=1S/C12H9I/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H"	"QFUYDAGNUJWBSM-UHFFFAOYSA-N"	"?"
"2430"	"78-23-9"	"Pentaerythritol monostearate"	"DTXSID0052675"	"CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO"	"InChI=1S/C23H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h24-26H,2-21H2,1H3"	"TXQVDVNAKHFQPP-UHFFFAOYSA-N"	"?"
"2431"	"3234-81-9"	"Tetradecanoic acid, octadecyl ester"	"DTXSID0062921"	"CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC"	"InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-14-12-10-8-6-4-2/h3-31H2,1-2H3"	"IEDOGKKOPNRRKW-UHFFFAOYSA-N"	"?"
"2432"	"90220-17-0"			"CCP(=O)(OCCC)SC"	"InChI=1S/C6H15O2PS/c1-4-6-8-9(7,5-2)10-3/h4-6H2,1-3H3"	"DNXGLDFHWXLWFN-UHFFFAOYSA-N"	"?"
"2433"	"141-78-6"	"Ethyl acetate"	"DTXSID1022001"	"CCOC(C)=O"	"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3"	"XEKOWRVHYACXOJ-UHFFFAOYSA-N"	"?"
"2434"	"77-48-5"	"1,3-Dibromo-5,5-dimethylhydantoin"	"DTXSID3035341"	"CC1(C)C(=O)N(Br)C(=O)N1Br"	"InChI=1S/C5H6Br2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3"	"VRLDVERQJMEPIF-UHFFFAOYSA-N"	"?"
"2435"	"25087-34-7"			"CCC=C"	"InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3"	"VXNZUUAINFGPBY-UHFFFAOYSA-N"	"C=C"
"2436"	"1577-19-1"	"3-Octenoic acid"	"DTXSID0061799"	"CCCCC=CCC(O)=O"	"InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)"	"IWPOSDLLFZKGOW-UHFFFAOYSA-N"	"?"
"2437"	"2274-11-5"	"Ethylene acrylate"	"DTXSID9044615"	"C=CC(=O)OCCOC(=O)C=C"	"InChI=1S/C8H10O4/c1-3-7(9)11-5-6-12-8(10)4-2/h3-4H,1-2,5-6H2"	"KUDUQBURMYMBIJ-UHFFFAOYSA-N"	"?"
"2438"	"13329-71-0"	"1-Octadecanamine, N-(1-methylethyl)-"	"DTXSID7065415"	"CCCCCCCCCCCCCCCCCCNC(C)C"	"InChI=1S/C21H45N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(2)3/h21-22H,4-20H2,1-3H3"	"WHFZOMWNDCWQRF-UHFFFAOYSA-N"	"?"
"2439"	"6439-57-2"	"3-(Butoxycarbonyl)but-3-enoate"	"DTXSID00611478"	"CCCCOC(=O)C(=C)CC(O)=O"	"InChI=1S/C9H14O4/c1-3-4-5-13-9(12)7(2)6-8(10)11/h2-6H2,1H3,(H,10,11)"	"DYYFCJRYZVHEKQ-UHFFFAOYSA-N"	"?"
"2440"	"116-01-8"	"Ethoate-methyl"	"DTXSID1041928"	"CCNC(=O)CSP(=S)(OC)OC"	"InChI=1S/C6H14NO3PS2/c1-4-7-6(8)5-13-11(12,9-2)10-3/h4-5H2,1-3H3,(H,7,8)"	"DICRHEJCQXFJBY-UHFFFAOYSA-N"	"?"
"2441"	"60-51-5"	"Dimethoate"	"DTXSID7020479"	"CNC(=O)CSP(=S)(OC)OC"	"InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)"	"MCWXGJITAZMZEV-UHFFFAOYSA-N"	"?"
"2442"	"15686-71-2"	"Cephalexin"	"DTXSID9022780"	"CC1CSC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C=1C(O)=O"	"InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)"	"ZAIPMKNFIOOWCQ-UHFFFAOYSA-N"	"?"
"2443"	"683-58-9"	"Ethanimidoyl chloride, N-hydroxy-"	"DTXSID0060989"	"CC(Cl)N=O"	"InChI=1S/C2H4ClNO/c1-2(3)4-5/h2H,1H3"	"IIGQVSSWUVPKOM-UHFFFAOYSA-N"	"?"
"2444"	"6362-79-4"	"Sodium 5-sulfoisophthalate"	"DTXSID9029279"	"OS(=O)(=O)C1C=C(C=C(C=1)C(O)=O)C(O)=O"	"InChI=1S/C8H6O7S/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)"	"CARJPEPCULYFFP-UHFFFAOYSA-N"	"[Na+]"
"2445"	"2216-68-4"	"1-Naphthalenamine, N-methyl-"	"DTXSID0062262"	"CNC1C=CC=C2C=CC=CC2=1"	"InChI=1S/C11H11N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3"	"AKEYUWUEAXIBTF-UHFFFAOYSA-N"	"?"
"2446"	"538-07-8"	"Nitrogen mustard (HN-1)"	"DTXSID0060220"	"CCN(CCCl)CCCl"	"InChI=1S/C6H13Cl2N/c1-2-9(5-3-7)6-4-8/h2-6H2,1H3"	"UQZPGHOJMQTOHB-UHFFFAOYSA-N"	"?"
"2447"	"1079-33-0"	"Mobam"	"DTXSID0042161"	"CNC(=O)OC1C=CC=C2SC=CC=12"	"InChI=1S/C10H9NO2S/c1-11-10(12)13-8-3-2-4-9-7(8)5-6-14-9/h2-6H,1H3,(H,11,12)"	"BOTUVXISJHKZKJ-UHFFFAOYSA-N"	"?"
"2448"	"54-31-9"	"Furosemide"	"DTXSID6020648"	"NS(=O)(=O)C1=CC(C(O)=O)=C(C=C1Cl)NCC1=CC=CO1"	"InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)"	"ZZUFCTLCJUWOSV-UHFFFAOYSA-N"	"?"
"2449"	"75219-45-3"			"CC12CCC3C(CCC4C=C(O)C=CC=43)C1CCC2OC(=O)COC(=O)CCCC1C=CC(=CC=1)N(CCCl)CCCl"	"InChI=1S/C34H43Cl2NO5/c1-34-16-15-28-27-12-10-26(38)21-24(27)7-11-29(28)30(34)13-14-31(34)42-33(40)22-41-32(39)4-2-3-23-5-8-25(9-6-23)37(19-17-35)20-18-36/h5-6,8-10,12,21,28-31,38H,2-4,7,11,13-20,22H2,1H3"	"BLZFYQBYJHKGPF-UHFFFAOYSA-N"	"?"
"2450"	"1712-71-6"	"m-Isopropenylchlorobenzene"	"DTXSID0061909"	"CC(=C)C1C=CC=C(Cl)C=1"	"InChI=1S/C9H9Cl/c1-7(2)8-4-3-5-9(10)6-8/h3-6H,1H2,2H3"	"KECZPSPBNNGWDJ-UHFFFAOYSA-N"	"?"
"2451"	"156-56-9"	"Hypoglycine A"	"DTXSID70878975"	"C=C1CC1CC(N)C(O)=O"	"InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)"	"OOJZCXFXPZGUBJ-UHFFFAOYSA-N"	"?"
"2452"	"137-32-6"	"2-Methyl-1-butanol"	"DTXSID5027069"	"CCC(C)CO"	"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3"	"QPRQEDXDYOZYLA-UHFFFAOYSA-N"	"?"
"2453"	"80060-09-9"	"Diafenthiuron"	"DTXSID1041845"	"CC(C)C1=CC(=CC(C(C)C)=C1NC(=S)NC(C)(C)C)OC1C=CC=CC=1"	"InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)"	"WOWBFOBYOAGEEA-UHFFFAOYSA-N"	"?"
"2454"	"71735-79-0"	"Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene"	"DTXSID0052461"	"CC1CC=CC(C)CC2OC2C(C)CC=C1 |c:3,15|"	"InChI=1S/C15H24O/c1-11-6-4-8-12(2)10-14-15(16-14)13(3)9-5-7-11/h4-5,7-8,11-15H,6,9-10H2,1-3H3/b7-5-,8-4-"	"QPNXWGRYYRSVET-ZQFNYFPESA-N"	"?"
"2455"	"6609-41-2"	"Benzimidazole, 5,6-dichloro-4-nitro-2-(trifluoromethyl)-"	"DTXSID00216285"	"[O-][N+](=O)C1C2N=C(NC=2C=C(Cl)C=1Cl)C(F)(F)F"	"InChI=1S/C8H2Cl2F3N3O2/c9-2-1-3-5(6(4(2)10)16(17)18)15-7(14-3)8(11,12)13/h1H,(H,14,15)"	"DCCVVWRWIMIAHK-UHFFFAOYSA-N"	"?"
"2456"	"98-34-0"	"Benzenesulfonic acid, 3-chloro-4-methyl-"	"DTXSID0059168"	"CC1=CC=C(C=C1Cl)S(O)(=O)=O"	"InChI=1S/C7H7ClO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H,9,10,11)"	"UPMIEBBZKWZYEZ-UHFFFAOYSA-N"	"?"
"2457"	"99-72-9"	"2-(4-Methylphenyl)propanal"	"DTXSID6052665"	"CC1C=CC(=CC=1)C(C)C=O"	"InChI=1S/C10H12O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-7,9H,1-2H3"	"JTZWVKUZBNHSSW-UHFFFAOYSA-N"	"?"
"2458"	"31600-56-3"	"Benzene, ((2-methoxyethoxy)methyl)-"	"DTXSID90185491"	"COCCOCC1C=CC=CC=1"	"InChI=1S/C10H14O2/c1-11-7-8-12-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3"	"XBSQOKFFZZKPFM-UHFFFAOYSA-N"	"?"
"2459"	"104-41-6"	"Benzene, 1-dodecyl-4-methyl-"	"DTXSID0059297"	"CC1C=CC(CCCCCCCCCCCC)=CC=1"	"InChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-11-12-13-19-16-14-18(2)15-17-19/h14-17H,3-13H2,1-2H3"	"BOSMBEZWDZNQJQ-UHFFFAOYSA-N"	"?"
"2460"	"41663-84-7"	"2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione"	"DTXSID7028013"	"CN1C(=O)C2C=C(C=CC=2C1=O)[N+]([O-])=O"	"InChI=1S/C9H6N2O4/c1-10-8(12)6-3-2-5(11(14)15)4-7(6)9(10)13/h2-4H,1H3"	"JBCHWGTZAAZJKG-UHFFFAOYSA-N"	"?"
"2461"	"79-10-7"	"Acrylic acid"	"DTXSID0039229"	"C=CC(O)=O"	"InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)"	"NIXOWILDQLNWCW-UHFFFAOYSA-N"	"?"
"2462"	"2491-06-7"	"Glycine, N,N-dimethyl-, hydrochloride"	"DTXSID1062463"	"CN(C)CC(O)=O"	"InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)"	"FFDGPVCHZBVARC-UHFFFAOYSA-N"	"Cl"
"2463"	"1477-55-0"	"1,3-Benzenedimethanamine"	"DTXSID9029649"	"NCC1C=C(CN)C=CC=1"	"InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2"	"FDLQZKYLHJJBHD-UHFFFAOYSA-N"	"?"
"2464"	"1711-09-7"	"Benzoyl chloride, 3-bromo-"	"DTXSID0061907"	"O=C(Cl)C1C=C(Br)C=CC=1"	"InChI=1S/C7H4BrClO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H"	"PBOOZQFGWNZNQE-UHFFFAOYSA-N"	"?"
"2465"	"3572-55-2"			"COP(=S)(N=C1SCCS1)OC"	"InChI=1S/C5H10NO2PS3/c1-7-9(10,8-2)6-5-11-3-4-12-5/h3-4H2,1-2H3"	"QZWJVZLRTODWDH-UHFFFAOYSA-N"	"?"
"2466"	"772-46-3"			"CCC(C)(O)CC1C=CC=CC=1"	"InChI=1S/C11H16O/c1-3-11(2,12)9-10-7-5-4-6-8-10/h4-8,12H,3,9H2,1-2H3"	"FTZBYXCNXOPJEL-UHFFFAOYSA-N"	"?"
"2467"	"2363-89-5"	"2-Octenal"	"DTXSID0062349"	"CCCCCC=CC=O"	"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3"	"LVBXEMGDVWVTGY-UHFFFAOYSA-N"	"?"
"2468"	"36505-82-5"			"CCCC1(CC(O)=O)OCCC2C3C=CC=CC=3NC1=2"	"InChI=1S/C16H19NO3/c1-2-8-16(10-14(18)19)15-12(7-9-20-16)11-5-3-4-6-13(11)17-15/h3-6,17H,2,7-10H2,1H3,(H,18,19)"	"IZGMROSLQHXRDZ-UHFFFAOYSA-N"	"?"
"2469"	"507-25-5"	"Methane, tetraiodo-"	"DTXSID0060145"	"IC(I)(I)I"	"InChI=1S/CI4/c2-1(3,4)5"	"JOHCVVJGGSABQY-UHFFFAOYSA-N"	"?"
"2470"	"17730-82-4"			"CCCC(=O)N1CCN(CC=CC2C=CC=CC=2)CC1"	"InChI=1S/C17H24N2O/c1-2-7-17(20)19-14-12-18(13-15-19)11-6-10-16-8-4-3-5-9-16/h3-6,8-10H,2,7,11-15H2,1H3"	"ZQBMUHABRSEAIK-UHFFFAOYSA-N"	"?"
"2471"	"2445-83-2"	"2H-1-Benzopyran-2-one, 7-methyl-"	"DTXSID0062424"	"CC1C=C2OC(=O)C=CC2=CC=1"	"InChI=1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3"	"DLHXRDUXNVEIEY-UHFFFAOYSA-N"	"?"
"2472"	"372-80-5"	"Hexanoyl fluoride"	"DTXSID0059908"	"CCCCCC(=O)F"	"InChI=1S/C6H11FO/c1-2-3-4-5-6(7)8/h2-5H2,1H3"	"AURYBMCZYGIOJH-UHFFFAOYSA-N"	"?"
"2473"	"2998-04-1"	"Hexanedioic acid, di-2-propenyl ester"	"DTXSID0062763"	"C=CCOC(=O)CCCCC(=O)OCC=C"	"InChI=1S/C12H18O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-4H,1-2,5-10H2"	"FPODCVUTIPDRTE-UHFFFAOYSA-N"	"?"
"2474"	"455-19-6"	"Benzaldehyde, 4-(trifluoromethyl)-"	"DTXSID0060016"	"O=CC1=CC=C(C=C1)C(F)(F)F"	"InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H"	"BEOBZEOPTQQELP-UHFFFAOYSA-N"	"?"
"2475"	"98079-52-8"	"Lomefloxacin hydrochloride"	"DTXSID2045527"	"CCN1C=C(C(=O)C2C=C(F)C(=C(F)C1=2)N1CCNC(C)C1)C(O)=O"	"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)"	"ZEKZLJVOYLTDKK-UHFFFAOYSA-N"	"Cl"
"2476"	"614-99-3"	"2-Furancarboxylic acid, ethyl ester"	"DTXSID0060640"	"CCOC(=O)C1=CC=CO1"	"InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3"	"NHXSTXWKZVAVOQ-UHFFFAOYSA-N"	"?"
"2477"	"3238-40-2"	"2,5-Furandicarboxylic acid"	"DTXSID0062927"	"OC(=O)C1=CC=C(O1)C(O)=O"	"InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)"	"CHTHALBTIRVDBM-UHFFFAOYSA-N"	"?"
"2478"	"128-81-4"	"1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-"	"DTXSID0059580"	"NC1C2=C(C(=O)C3=CC=CC=C3C2=O)C(N)=C2C=1C(=O)NC2=O"	"InChI=1S/C16H9N3O4/c17-11-7-8(12(18)10-9(11)15(22)19-16(10)23)14(21)6-4-2-1-3-5(6)13(7)20/h1-4H,17-18H2,(H,19,22,23)"	"UOBRDAVIVQKFCM-UHFFFAOYSA-N"	"?"
"2479"	"621-82-9"	"Cinnamic acid"	"DTXSID40110056"	"OC(=O)C=CC1C=CC=CC=1"	"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)"	"WBYWAXJHAXSJNI-UHFFFAOYSA-N"	"?"
"2480"	"99-66-1"	"Valproic acid"	"DTXSID6023733"	"CCCC(CCC)C(O)=O"	"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)"	"NIJJYAXOARWZEE-UHFFFAOYSA-N"	"?"
"2481"	"35941-71-0"	"Tiaramide hydrochloride"	"DTXSID6048757"	"OCCN1CCN(CC1)C(=O)CN1C2C=C(Cl)C=CC=2SC1=O"	"InChI=1S/C15H18ClN3O3S/c16-11-1-2-13-12(9-11)19(15(22)23-13)10-14(21)18-5-3-17(4-6-18)7-8-20/h1-2,9,20H,3-8,10H2"	"HTJXMOGUGMSZOG-UHFFFAOYSA-N"	"Cl"
"2482"	"2157-42-8"	"Silicic acid (H6Si2O7), hexaethyl ester"	"DTXSID0062218"	"CCO[Si](O[Si](OCC)(OCC)OCC)(OCC)OCC"	"InChI=1S/C12H30O7Si2/c1-7-13-20(14-8-2,15-9-3)19-21(16-10-4,17-11-5)18-12-6/h7-12H2,1-6H3"	"GYTROFMCUJZKNA-UHFFFAOYSA-N"	"?"
"2483"	"1916-07-0"	"Benzoic acid, 3,4,5-trimethoxy-, methyl ester"	"DTXSID0062058"	"COC1C=C(C=C(OC)C=1OC)C(=O)OC"	"InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3"	"KACHFMOHOPLTNX-UHFFFAOYSA-N"	"?"
"2484"	"372-39-4"	"3,5-Difluoroaniline"	"DTXSID0059906"	"NC1C=C(F)C=C(F)C=1"	"InChI=1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2"	"KQOIBXZRCYFZSO-UHFFFAOYSA-N"	"?"
"2485"	"118-95-6"	"Isopropyl-4,6-dinitrophenol"	"DTXSID6074463"	"CC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C9H10N2O5/c1-5(2)7-3-6(10(13)14)4-8(9(7)12)11(15)16/h3-5,12H,1-2H3"	"HBYHYLBZPLCIEE-UHFFFAOYSA-N"	"?"
"2486"	"34887-26-8"			"CC1(C)CC(CC(C)(C)N1)N1C(C)(C)CC(N)CC1(C)C"	"InChI=1S/C18H37N3/c1-15(2)11-14(12-16(3,4)20-15)21-17(5,6)9-13(19)10-18(21,7)8/h13-14,20H,9-12,19H2,1-8H3"	"RAPUMONUZRIDMU-UHFFFAOYSA-N"	"?"
"2487"	"2881-40-5"	"2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-, dipotassium salt"	"DTXSID0062682"	"O=C1CC(=O)C(=O)CC1=O"	"InChI=1S/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H2"	"AFUIDKJBMQWQIO-UHFFFAOYSA-N"	"[K+].[K+]"
"2488"	"6558-78-7"	"N-n-Butyl-N-nitrosourethane"	"DTXSID50215849"	"CCCCN(N=O)C(=O)OCC"	"InChI=1S/C7H14N2O3/c1-3-5-6-9(8-11)7(10)12-4-2/h3-6H2,1-2H3"	"RABAKMVAMFRJLX-UHFFFAOYSA-N"	"?"
"2489"	"6425-39-4"	"4,4'-(Oxydiethylene)bis(morpholine)"	"DTXSID9042170"	"C1COCCN1CCOCCN1CCOCC1"	"InChI=1S/C12H24N2O3/c1-7-15-8-2-13(1)5-11-17-12-6-14-3-9-16-10-4-14/h1-12H2"	"ZMSQJSMSLXVTKN-UHFFFAOYSA-N"	"?"
"2490"	"102207-75-0"	"Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-"	"DTXSID80144794"	"CCN(CCOC1C=CN=C(N)N=1)CC"	"InChI=1S/C10H18N4O/c1-3-14(4-2)7-8-15-9-5-6-12-10(11)13-9/h5-6H,3-4,7-8H2,1-2H3,(H2,11,12,13)"	"WGNULDMOVQJCAF-UHFFFAOYSA-N"	"?"
"2491"	"68206-94-0"	"Cloricromen"	"DTXSID2048373"	"CC1C2C=CC(OCC(=O)OCC)=C(Cl)C=2OC(=O)C=1CCN(CC)CC"	"InChI=1S/C20H26ClNO5/c1-5-22(6-2)11-10-15-13(4)14-8-9-16(26-12-17(23)25-7-3)18(21)19(14)27-20(15)24/h8-9H,5-7,10-12H2,1-4H3"	"GYNNRVJJLAVVTQ-UHFFFAOYSA-N"	"?"
"2492"	"98-32-8"	"Benzenesulfonamide, 3-amino-4-hydroxy-"	"DTXSID0059166"	"NC1=CC(=CC=C1O)S(N)(=O)=O"	"InChI=1S/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11)"	"AVQFHKYAVVQYQO-UHFFFAOYSA-N"	"?"
"2493"	"1574-33-0"	"3-Penten-1-yne, 3-methyl-"	"DTXSID0061795"	"CC=C(C)C#C"	"InChI=1S/C6H8/c1-4-6(3)5-2/h1,5H,2-3H3"	"GRGVQLWQXHFRHO-UHFFFAOYSA-N"	"?"
"2494"	"621-10-3"	"Propanediamide, N,N'-diphenyl-"	"DTXSID0060729"	"O=C(CC(=O)NC1C=CC=CC=1)NC1C=CC=CC=1"	"InChI=1S/C15H14N2O2/c18-14(16-12-7-3-1-4-8-12)11-15(19)17-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)(H,17,19)"	"YYAQOJILQOVUSK-UHFFFAOYSA-N"	"?"
"2495"	"31107-44-5"	"1,2,3,4,6,7,8,9,10,10,11,11-dodecachloro-1,4,4a,5a,6,9,9a,9b-octahydro-1,4:6,9-dimethanodibenzofuran"	"DTXSID0052702"	"ClC1(Cl)C2(Cl)C3C(OC4C3C3(Cl)C(Cl)=C(Cl)C4(Cl)C3(Cl)Cl)C1(Cl)C(Cl)=C2Cl"	"InChI=1S/C14H4Cl12O/c15-3-5(17)11(21)7-1(9(3,19)13(11,23)24)2-8(27-7)12(22)6(18)4(16)10(2,20)14(12,25)26/h1-2,7-8H"	"CDBKZZACXQLFMK-UHFFFAOYSA-N"	"?"
"2496"	"64532-94-1"	"Diphenyl o-isopropylphenylphenyl phosphate"	"DTXSID90858794"	"CC(C)C1=CC=CC=C1OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"InChI=1S/C21H21O4P/c1-17(2)20-15-9-10-16-21(20)25-26(22,23-18-11-5-3-6-12-18)24-19-13-7-4-8-14-19/h3-17H,1-2H3"	"JJXNVYMIYBNZQX-UHFFFAOYSA-N"	"?"
"2497"	"1908-87-8"	"2-Thiazolidinethione, 3-methyl-"	"DTXSID0062054"	"CN1CCSC1=S"	"InChI=1S/C4H7NS2/c1-5-2-3-7-4(5)6/h2-3H2,1H3"	"RGTLAJIDOSPEDH-UHFFFAOYSA-N"	"?"
"2498"	"128639-02-1"	"Carfentrazone-ethyl"	"DTXSID4032532"	"CC1=NN(C2=CC(CC(Cl)C(=O)OCC)=C(Cl)C=C2F)C(=O)N1C(F)F"	"InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3"	"MLKCGVHIFJBRCD-UHFFFAOYSA-N"	"?"
"2499"	"23456-94-2"			"CN(C)N=NC1C=CC(F)=CC=1"	"InChI=1S/C8H10FN3/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,1-2H3"	"XOIRGVCSIQKKPR-UHFFFAOYSA-N"	"?"
"2500"	"1674-38-0"	"Dodecanophenone"	"DTXSID0061872"	"CCCCCCCCCCCC(=O)C1C=CC=CC=1"	"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-13-16-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3"	"DJNJZIFFCJTUDS-UHFFFAOYSA-N"	"?"
"2501"	"79-30-1"	"2-Methylpropanoyl chloride"	"DTXSID0052542"	"CC(C)C(=O)Cl"	"InChI=1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3"	"DGMOBVGABMBZSB-UHFFFAOYSA-N"	"?"
"2502"	"37717-82-1"			"OC(=O)C1=CC2C=C(O)C(O)=CC=2[N+]1=CC=C1CC(N=C(C1)C(O)=O)C(O)=O"	"InChI=1S/C18H14N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-2,5-7,10H,3-4H2,(H4-,21,22,23,24,25,26,27,28)/p+1"	"UGICVHYQAUWHKN-UHFFFAOYSA-O"	"OS(=O)(=O)[O-]"
"2503"	"22729-74-4"	"Methanesulfonamide, N-(p-chlorophenyl)-N-((1,1,2,2-tetrachloro-2-fluoroethyl)thio)-"	"DTXSID00177261"	"CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)C1=CC=C(Cl)C=C1"	"InChI=1S/C9H7Cl5FNO2S2/c1-20(17,18)16(7-4-2-6(10)3-5-7)19-9(13,14)8(11,12)15/h2-5H,1H3"	"IPKJONDXVMXMBQ-UHFFFAOYSA-N"	"?"
"2504"	"34552-83-5"	"Loperamide hydrochloride"	"DTXSID00880006"	"CN(C)C(=O)C(CCN1CCC(O)(CC1)C1C=CC(Cl)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3"	"RDOIQAHITMMDAJ-UHFFFAOYSA-N"	"Cl"
"2505"	"402-43-7"	"Benzene, 1-bromo-4-(trifluoromethyl)-"	"DTXSID0059950"	"FC(F)(F)C1C=CC(Br)=CC=1"	"InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H"	"XLQSXGGDTHANLN-UHFFFAOYSA-N"	"?"
"2506"	"17788-11-3"	"Carbamic acid, methyl-, ester with 3'-hydroxypropionanilide"	"DTXSID20170390"	"CNC(=O)OC1=CC(=CC=C1)NC(=O)CC"	"InChI=1S/C11H14N2O3/c1-3-10(14)13-8-5-4-6-9(7-8)16-11(15)12-2/h4-7H,3H2,1-2H3,(H,12,15)(H,13,14)"	"NMYKXXMNAUVYBV-UHFFFAOYSA-N"	"?"
"2507"	"79915-74-5"	"2-(Propan-2-yloxy)ethyl 2-hydroxybenzoate"	"DTXSID0052546"	"CC(C)OCCOC(=O)C1=CC=CC=C1O"	"InChI=1S/C12H16O4/c1-9(2)15-7-8-16-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3"	"KFBPVHFUHYKWIF-UHFFFAOYSA-N"	"?"
"2508"	"2359-15-1"	"2-Propenamide, N,N'-methylenebis[2-methyl-"	"DTXSID0062347"	"CC(=C)C(=O)NCNC(=O)C(C)=C"	"InChI=1S/C9H14N2O2/c1-6(2)8(12)10-5-11-9(13)7(3)4/h1,3,5H2,2,4H3,(H,10,12)(H,11,13)"	"TURITJIWSQEMDB-UHFFFAOYSA-N"	"?"
"2509"	"78-85-3"	"Methacrylaldehyde"	"DTXSID0052540"	"CC(=C)C=O"	"InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3"	"STNJBCKSHOAVAJ-UHFFFAOYSA-N"	"?"
"2510"	"2351-13-5"	"Disiloxane, 1,3-bis(bromomethyl)-1,1,3,3-tetramethyl-"	"DTXSID0062341"	"C[Si](C)(CBr)O[Si](C)(C)CBr"	"InChI=1S/C6H16Br2OSi2/c1-10(2,5-7)9-11(3,4)6-8/h5-6H2,1-4H3"	"UPKHMNVQWIFQBW-UHFFFAOYSA-N"	"?"
"2511"	"822-08-2"	"1,11-Undecanediamine"	"DTXSID0061169"	"NCCCCCCCCCCCN"	"InChI=1S/C11H26N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-13H2"	"KLNPWTHGTVSSEU-UHFFFAOYSA-N"	"?"
"2512"	"1515-81-7"	"p-(Methoxymethyl)anisole"	"DTXSID0061743"	"COCC1=CC=C(C=C1)OC"	"InChI=1S/C9H12O2/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6H,7H2,1-2H3"	"RSOYRXBYZFBWFS-UHFFFAOYSA-N"	"?"
"2513"	"131-22-6"	"1-Naphthalenamine, 4-(phenylazo)-"	"DTXSID0059615"	"NC1C=CC(N=NC2C=CC=CC=2)=C2C=CC=CC2=1"	"InChI=1S/C16H13N3/c17-15-10-11-16(14-9-5-4-8-13(14)15)19-18-12-6-2-1-3-7-12/h1-11H,17H2"	"IICHURGZQPGTRD-UHFFFAOYSA-N"	"?"
"2514"	"16537-51-2"			"CCP(=S)(OC(C)C)SCN1C(=O)C2C=CC=CC=2C1=O"	"InChI=1S/C14H18NO3PS2/c1-4-19(20,18-10(2)3)21-9-15-13(16)11-7-5-6-8-12(11)14(15)17/h5-8,10H,4,9H2,1-3H3"	"XTPQVUHBEQVOSI-UHFFFAOYSA-N"	"?"
"2515"	"926-65-8"	"Propane, 2-(ethenyloxy)-"	"DTXSID0061292"	"CC(C)OC=C"	"InChI=1S/C5H10O/c1-4-6-5(2)3/h4-5H,1H2,2-3H3"	"GNUGVECARVKIPH-UHFFFAOYSA-N"	"?"
"2516"	"95-57-8"	"2-Chlorophenol"	"DTXSID5021544"	"OC1=CC=CC=C1Cl"	"InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H"	"ISPYQTSUDJAMAB-UHFFFAOYSA-N"	"?"
"2517"	"108-10-1"	"4-Methyl-2-pentanone"	"DTXSID5021889"	"CC(C)CC(C)=O"	"InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3"	"NTIZESTWPVYFNL-UHFFFAOYSA-N"	"?"
"2518"	"594-70-7"	"Propane, 2-methyl-2-nitro-"	"DTXSID0060488"	"CC(C)(C)[N+]([O-])=O"	"InChI=1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3"	"AIMREYQYBFBEGQ-UHFFFAOYSA-N"	"?"
"2519"	"56-34-8"	"Tetraethylammonium chloride"	"DTXSID6041137"	"CC[N+](CC)(CC)CC"	"InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1"	"CBXCPBUEXACCNR-UHFFFAOYSA-N"	"[Cl-]"
"2520"	"645-13-6"	"1-[4-(1-Methylethyl)phenyl]ethan-1-one"	"DTXSID0052330"	"CC(=O)C1=CC=C(C=C1)C(C)C"	"InChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3"	"PDLCCNYKIIUWHA-UHFFFAOYSA-N"	"?"
"2521"	"109-80-8"	"1,3-Propanedithiol"	"DTXSID0059376"	"SCCCS"	"InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2"	"ZJLMKPKYJBQJNH-UHFFFAOYSA-N"	"?"
"2522"	"1531-99-3"	"Butanoic acid, 4-(1-piperidinyl)cyclohexyl ester (9CI)"	"DTXSID40165223"	"CCCC(=O)OC1CCC(CC1)N1CCCCC1"	"InChI=1S/C15H27NO2/c1-2-6-15(17)18-14-9-7-13(8-10-14)16-11-4-3-5-12-16/h13-14H,2-12H2,1H3"	"CIWYNCKUHLVFKX-UHFFFAOYSA-N"	"?"
"2523"	"41814-78-2"	"2,7,8,9-Tricyclazole"	"DTXSID7037478"	"CC1=CC=CC2SC3=NN=CN3C=21"	"InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3"	"DQJCHOQLCLEDLL-UHFFFAOYSA-N"	"?"
"2524"	"26717-47-5"	"Clofibride"	"DTXSID1022841"	"CN(C)C(=O)CCCOC(=O)C(C)(C)OC1C=CC(Cl)=CC=1"	"InChI=1S/C16H22ClNO4/c1-16(2,22-13-9-7-12(17)8-10-13)15(20)21-11-5-6-14(19)18(3)4/h7-10H,5-6,11H2,1-4H3"	"CXQGFLBVUNUQIA-UHFFFAOYSA-N"	"?"
"2525"	"930-68-7"	"2-Cyclohexen-1-one"	"DTXSID1024881"	"O=C1CCCC=C1"	"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2"	"FWFSEYBSWVRWGL-UHFFFAOYSA-N"	"?"
"2526"	"107-59-5"	"Acetic acid, chloro-, 1,1-dimethylethyl ester"	"DTXSID7059351"	"CC(C)(C)OC(=O)CCl"	"InChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3"	"KUYMVWXKHQSIAS-UHFFFAOYSA-N"	"?"
"2527"	"2782-57-2"	"Troclosene"	"DTXSID8024993"	"O=C1N(Cl)C(=O)NC(=O)N1Cl"	"InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)"	"CEJLBZWIKQJOAT-UHFFFAOYSA-N"	"?"
"2528"	"594-36-5"	"Butane, 2-chloro-2-methyl-"	"DTXSID0060484"	"CCC(C)(C)Cl"	"InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3"	"CRNIHJHMEQZAAS-UHFFFAOYSA-N"	"?"
"2529"	"3473-11-8"	"Formaldehyde, oxime, hydrochloride (1:1)"	"DTXSID00883976"	"CN=O"	"InChI=1S/CH3NO/c1-2-3/h1H3"	"IMHRONYAKYWGCC-UHFFFAOYSA-N"	"Cl"
"2530"	"111-18-2"	"N,N,N',N`-Tetramethylhexanediamine"	"DTXSID5033701"	"CN(C)CCCCCCN(C)C"	"InChI=1S/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3"	"TXXWBTOATXBWDR-UHFFFAOYSA-N"	"?"
"2531"	"115-46-8"	"Azacyclonol"	"DTXSID2045280"	"OC(C1CCNCC1)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2"	"ZMISODWVFHHWNR-UHFFFAOYSA-N"	"?"
"2532"	"5418-63-3"	"3H-Indolium, 1,2,3,3-tetramethyl-, iodide (1:1)"	"DTXSID30883489"	"CC1=[N+](C)C2C=CC=CC=2C1(C)C"	"InChI=1S/C12H16N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1-4H3/q+1"	"AKQUHUJZRFFZOO-UHFFFAOYSA-N"	"[I-]"
"2533"	"1187-58-2"	"Propanamide, N-methyl-"	"DTXSID0061583"	"CCC(=O)NC"	"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)"	"QJQAMHYHNCADNR-UHFFFAOYSA-N"	"?"
"2534"	"625-58-1"	"Ethyl nitrate"	"DTXSID0060806"	"CCO[N+]([O-])=O"	"InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3"	"IDNUEBSJWINEMI-UHFFFAOYSA-N"	"?"
"2535"	"314-03-4"	"Pimethixene"	"DTXSID0048476"	"CN1CCC(CC1)=C1C2C=CC=CC=2SC2C=CC=CC=21"	"InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3"	"NZLVRVYNQYGMAB-UHFFFAOYSA-N"	"?"
"2536"	"702-16-9"	"5-Butyl-2-methylpyridine"	"DTXSID0061030"	"CC1C=CC(CCCC)=CN=1"	"InChI=1S/C10H15N/c1-3-4-5-10-7-6-9(2)11-8-10/h6-8H,3-5H2,1-2H3"	"GSYSNSTWMPZEQK-UHFFFAOYSA-N"	"?"
"2537"	"99793-75-6"	"1H-1,2,4-Triazole, 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(methylsulfonyl)-"	"DTXSID70244252"	"CS(=O)(=O)C1N=C(C2C=CC(F)=CC=2)N(N=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C15H11ClFN3O2S/c1-23(21,22)15-18-14(10-2-6-12(17)7-3-10)20(19-15)13-8-4-11(16)5-9-13/h2-9H,1H3"	"KBJBRSGQEKVZTE-UHFFFAOYSA-N"	"?"
"2538"	"40805-93-4"	"Phosphoric acid, 2,2-dibromovinyl dimethyl ester"	"DTXSID10193795"	"COP(=O)(OC=C(Br)Br)OC"	"InChI=1S/C4H7Br2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3"	"QMTLGQJLVKFGCV-UHFFFAOYSA-N"	"?"
"2539"	"43200-80-2"	"Zopiclone"	"DTXSID4041155"	"CN1CCN(CC1)C(=O)OC1C2=NC=CN=C2C(=O)N1C1C=CC(Cl)=CN=1"	"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3"	"GBBSUAFBMRNDJC-UHFFFAOYSA-N"	"?"
"2540"	"68844-98-4"	"4,9-Decadienal, 5,9-dimethyl-"	"DTXSID0052419"	"CC(CCCC(C)=C)=CCCC=O"	"InChI=1S/C12H20O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h8,10H,1,4-7,9H2,2-3H3"	"ABDPYMYJZBDRKL-UHFFFAOYSA-N"	"?"
"2541"	"480-68-2"	"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-"	"DTXSID0060062"	"[O-][N+](=O)C1C(=O)NC(=O)NC1=O"	"InChI=1S/C4H3N3O5/c8-2-1(7(11)12)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)"	"ABICJYZKIYUWEE-UHFFFAOYSA-N"	"?"
"2542"	"32179-45-6"			"C[N+]1(C)CCC2=CC(Cl)=CC=C12"	"InChI=1S/C10H13ClN/c1-12(2)6-5-8-7-9(11)3-4-10(8)12/h3-4,7H,5-6H2,1-2H3/q+1"	"VTUMCCLYTIJGHE-UHFFFAOYSA-N"	"[Br-]"
"2543"	"26175-68-8"	"Benzenesulfonamide, 4-amino-2,5-dichloro-N,N-dimethyl-"	"DTXSID5067182"	"CN(C)S(=O)(=O)C1C=C(Cl)C(N)=CC=1Cl"	"InChI=1S/C8H10Cl2N2O2S/c1-12(2)15(13,14)8-4-5(9)7(11)3-6(8)10/h3-4H,11H2,1-2H3"	"RVDTXDMZBHZDCD-UHFFFAOYSA-N"	"?"
"2544"	"534-16-7"	"Silver(I) carbonate"	"DTXSID9042384"	"OC(O)=O"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	"[Ag+].[Ag+]"
"2545"	"117-34-0"	"Benzeneacetic acid, .alpha.-phenyl-"	"DTXSID0059453"	"OC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)"	"PYHXGXCGESYPCW-UHFFFAOYSA-N"	"?"
"2546"	"60-35-5"	"Acetamide"	"DTXSID7020005"	"CC(N)=O"	"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)"	"DLFVBJFMPXGRIB-UHFFFAOYSA-N"	"?"
"2547"	"2103-88-0"	"2(3H)-Thiazolethione, 4-phenyl-"	"DTXSID0062181"	"SC1=NC(=CS1)C1C=CC=CC=1"	"InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)"	"CYCKHTAVNBPQDB-UHFFFAOYSA-N"	"?"
"2548"	"16646-42-7"			"CC1(CC=CCC1)C(O)=O"	"InChI=1S/C8H12O2/c1-8(7(9)10)5-3-2-4-6-8/h2-3H,4-6H2,1H3,(H,9,10)"	"FKOPGCJIAFSDAO-UHFFFAOYSA-N"	"?"
"2549"	"1189-71-5"	"Sulfuryl chloride isocyanate"	"DTXSID0061585"	"O=C=NS(=O)(=O)Cl"	"InChI=1S/CClNO3S/c2-7(5,6)3-1-4"	"WRJWRGBVPUUDLA-UHFFFAOYSA-N"	"?"
"2550"	"4205-99-6"	"Benzimidazole, 5-nitro-4,6,7-trichloro-2-(trifluoromethyl)-"	"DTXSID10194868"	"[O-][N+](=O)C1C(Cl)=C2N=C(NC2=C(Cl)C=1Cl)C(F)(F)F"	"InChI=1S/C8HCl3F3N3O2/c9-1-2(10)6(17(18)19)3(11)5-4(1)15-7(16-5)8(12,13)14/h(H,15,16)"	"BRXRYLRPUIZHDY-UHFFFAOYSA-N"	"?"
"2551"	"762-12-9"	"Peroxide, bis(1-oxodecyl)"	"DTXSID0061084"	"CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC"	"InChI=1S/C20H38O4/c1-3-5-7-9-11-13-15-17-19(21)23-24-20(22)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3"	"XJOBOFWTZOKMOH-UHFFFAOYSA-N"	"?"
"2552"	"2163-69-1"	"Cycluron"	"DTXSID8041824"	"CN(C)C(=O)NC1CCCCCCC1"	"InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)"	"DQZCVNGCTZLGAQ-UHFFFAOYSA-N"	"?"
"2553"	"333-49-3"	"2(1H)-Pyrimidinethione, 4-amino-"	"DTXSID0059823"	"NC1CC=NC(=S)N=1"	"InChI=1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h2H,1H2,(H2,5,7,8)"	"NHTZKDGCQRZCMZ-UHFFFAOYSA-N"	"?"
"2554"	"30560-22-6"			"CCCCCCCCCC(=O)NP(=O)(OC)SC"	"InChI=1S/C12H26NO3PS/c1-4-5-6-7-8-9-10-11-12(14)13-17(15,16-2)18-3/h4-11H2,1-3H3,(H,13,14,15)"	"IEZUPBZYTVEPKU-UHFFFAOYSA-N"	"?"
"2555"	"10024-89-2"			"C1COCCN1"	"InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2"	"YNAVUWVOSKDBBP-UHFFFAOYSA-N"	"Cl"
"2556"	"3179-81-5"	"2-(Diethylamino)ethylstearate"	"DTXSID0062896"	"CCCCCCCCCCCCCCCCCC(=O)OCCN(CC)CC"	"InChI=1S/C24H49NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25(5-2)6-3/h4-23H2,1-3H3"	"QZJDYFVPLXBWTK-UHFFFAOYSA-N"	"?"
"2557"	"1779-10-8"	"2-Naphthalenecarboxylic acid, 4,7-dibromo-3-hydroxy-"	"DTXSID0061959"	"OC1C(Br)=C2C=CC(Br)=CC2=CC=1C(O)=O"	"InChI=1S/C11H6Br2O3/c12-6-1-2-7-5(3-6)4-8(11(15)16)10(14)9(7)13/h1-4,14H,(H,15,16)"	"WNMKUIQCIRAXBN-UHFFFAOYSA-N"	"?"
"2558"	"110-73-6"	"2-(Ethylamino)ethanol"	"DTXSID9021922"	"CCNCCO"	"InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3"	"MIJDSYMOBYNHOT-UHFFFAOYSA-N"	"?"
"2559"	"1321-89-7"	"Isodecanal"	"DTXSID0061668"	"CC(C)CCCCCCC=O"	"InChI=1S/C10H20O/c1-10(2)8-6-4-3-5-7-9-11/h9-10H,3-8H2,1-2H3"	"WDMOXLRWVGEXJV-UHFFFAOYSA-N"	"?"
"2560"	"122-98-5"	"Ethanol, 2-(phenylamino)-"	"DTXSID8059550"	"OCCNC1C=CC=CC=1"	"InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2"	"MWGATWIBSKHFMR-UHFFFAOYSA-N"	"?"
"2561"	"3691-35-8"	"Chlorophacinone"	"DTXSID2032348"	"O=C(C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1)C1C(=O)C2C=CC=CC=2C1=O"	"InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H"	"UDHXJZHVNHGCEC-UHFFFAOYSA-N"	"?"
"2562"	"1990-90-5"	"3-Methyl-4-aminopyridine"	"DTXSID90173676"	"CC1C=NC=CC=1N"	"InChI=1S/C6H8N2/c1-5-4-8-3-2-6(5)7/h2-4H,1H3,(H2,7,8)"	"VGJLGPCXUGIXRQ-UHFFFAOYSA-N"	"?"
"2563"	"1769-41-1"	"Acetamide, 2-(hydroxyimino)-N-phenyl-"	"DTXSID0061957"	"O=C(CN=O)NC1C=CC=CC=1"	"InChI=1S/C8H8N2O2/c11-8(6-9-12)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)"	"DPSWNBXZTPGNED-UHFFFAOYSA-N"	"?"
"2564"	"629-31-2"	"Heptanal, oxime"	"DTXSID9060869"	"CCCCCCCN=O"	"InChI=1S/C7H15NO/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3"	"DMJBDVZMPKTLON-UHFFFAOYSA-N"	"?"
"2565"	"2600-69-3"	"Phorate oxon"	"DTXSID4037586"	"CCSCSP(=O)(OCC)OCC"	"InChI=1S/C7H17O3PS2/c1-4-9-11(8,10-5-2)13-7-12-6-3/h4-7H2,1-3H3"	"FMXFZNGITFNSAG-UHFFFAOYSA-N"	"?"
"2566"	"2984-78-3"			"COP(=S)(OC)SCSCC=C(Cl)Cl"	"InChI=1S/C6H11Cl2O2PS3/c1-9-11(12,10-2)14-5-13-4-3-6(7)8/h3H,4-5H2,1-2H3"	"LPVNOZJUGTXORH-UHFFFAOYSA-N"	"?"
"2567"	"1100-88-5"	"Benzyltriphenylphosphonium chloride"	"DTXSID6051566"	"C(C1C=CC=CC=1)[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C25H22P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+1"	"BNQRPLGZFADFGA-UHFFFAOYSA-N"	"[Cl-]"
"2568"	"67696-82-6"			"CC12CCC3C(CCC4(O)CC(CCC43C=O)OC(=O)C=C(C)C)C1(O)CCC2c1coc(=O)cc1"	"InChI=1S/C29H38O7/c1-18(2)14-25(32)36-20-6-11-27(17-30)22-7-10-26(3)21(19-4-5-24(31)35-16-19)9-13-29(26,34)23(22)8-12-28(27,33)15-20/h4-5,14,16-17,20-23,33-34H,6-13,15H2,1-3H3"	"RIOSSPWEPWYRLD-UHFFFAOYSA-N"	"?"
"2569"	"1199-20-8"	"2-Butenoic acid, 3-phenyl-"	"DTXSID0061614"	"CC(=CC(O)=O)C1C=CC=CC=1"	"InChI=1S/C10H10O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)"	"PEXWJYDPDXUVSV-UHFFFAOYSA-N"	"?"
"2570"	"598-99-2"	"Acetic acid, 2,2,2-trichloro-, methyl ester"	"DTXSID0060517"	"COC(=O)C(Cl)(Cl)Cl"	"InChI=1S/C3H3Cl3O2/c1-8-2(7)3(4,5)6/h1H3"	"VHFUHRXYRYWELT-UHFFFAOYSA-N"	"?"
"2571"	"283-60-3"	"Silatrane"	"DTXSID0058352"	"C1CO[SiH]2OCCN1CCO2"	"InChI=1S/C6H13NO3Si/c1-4-8-11-9-5-2-7(1)3-6-10-11/h11H,1-6H2"	"PZRZYNDNPQRQRN-UHFFFAOYSA-N"	"?"
"2572"	"109-02-4"	"4-Methylmorpholine"	"DTXSID9029146"	"CN1CCOCC1"	"InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3"	"SJRJJKPEHAURKC-UHFFFAOYSA-N"	"?"
"2573"	"81-71-0"	"Benzenamine, 4,4'-[(2-chlorophenyl)methylene]bis[2,5-dimethyl-"	"DTXSID0058853"	"CC1C=C(N)C(C)=CC=1C(C1=CC(C)=C(N)C=C1C)C1C=CC=CC=1Cl"	"InChI=1S/C23H25ClN2/c1-13-11-21(25)15(3)9-18(13)23(17-7-5-6-8-20(17)24)19-10-16(4)22(26)12-14(19)2/h5-12,23H,25-26H2,1-4H3"	"MCZONIGXYAOYBE-UHFFFAOYSA-N"	"?"
"2574"	"625-43-4"	"1-Propanamine, N,2-dimethyl-"	"DTXSID0060802"	"CNCC(C)C"	"InChI=1S/C5H13N/c1-5(2)4-6-3/h5-6H,4H2,1-3H3"	"QKYWADPCTHTJHQ-UHFFFAOYSA-N"	"?"
"2575"	"874-41-9"	"1,3-Dimethyl-4-ethylbenzene"	"DTXSID0061246"	"CCC1C=CC(C)=CC=1C"	"InChI=1S/C10H14/c1-4-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3"	"MEMBJMDZWKVOTB-UHFFFAOYSA-N"	"?"
"2576"	"1754-57-0"	"Ethanamine, 2-hydrazino-N,N-dimethyl-"	"DTXSID20169981"	"CN(C)CCNN"	"InChI=1S/C4H13N3/c1-7(2)4-3-6-5/h6H,3-5H2,1-2H3"	"XXYDEJAJDOABCE-UHFFFAOYSA-N"	"?"
"2577"	"64204-51-9"	"Ethanimidamide, 2-((4-chlorophenyl)amino)-N-hydroxy-, dihydrochloride"	"DTXSID20214420"	"NC(CNC1C=CC(Cl)=CC=1)N=O"	"InChI=1S/C8H10ClN3O/c9-6-1-3-7(4-2-6)11-5-8(10)12-13/h1-4,8,11H,5,10H2"	"SLIJGTHMLIMSSW-UHFFFAOYSA-N"	"Cl.Cl"
"2578"	"1571-13-7"	"1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-"	"DTXSID0061791"	"O=C1NC(=O)C2C1=C(Cl)C(Cl)=C(Cl)C=2Cl"	"InChI=1S/C8HCl4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)"	"LPUUYZVKCMCHLO-UHFFFAOYSA-N"	"?"
"2579"	"503-87-7"	"4-Imidazolidinone, 2-thioxo-"	"DTXSID2060121"	"O=C1CNC(=S)N1"	"InChI=1S/C3H4N2OS/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)"	"UGWULZWUXSCWPX-UHFFFAOYSA-N"	"?"
"2580"	"60-10-6"	"Diazenecarbothioic acid, phenyl-, 2-phenylhydrazide"	"DTXSID0058770"	"S=C(NNC1C=CC=CC=1)N=NC1C=CC=CC=1"	"InChI=1S/C13H12N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)"	"UOFGSWVZMUXXIY-UHFFFAOYSA-N"	"?"
"2581"	"6506-37-2"	"Nimorazole"	"DTXSID1057795"	"[O-][N+](=O)C1=CN=CN1CCN1CCOCC1"	"InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2"	"MDJFHRLTPRPZLY-UHFFFAOYSA-N"	"?"
"2582"	"3547-33-9"	"2-Hydroxyethyl octyl sulfide"	"DTXSID6032516"	"CCCCCCCCSCCO"	"InChI=1S/C10H22OS/c1-2-3-4-5-6-7-9-12-10-8-11/h11H,2-10H2,1H3"	"KXPXKNBDCUOENF-UHFFFAOYSA-N"	"?"
"2583"	"768-66-1"	"Piperidine, 2,2,6,6-tetramethyl-"	"DTXSID0061113"	"CC1(C)CCCC(C)(C)N1"	"InChI=1S/C9H19N/c1-8(2)6-5-7-9(3,4)10-8/h10H,5-7H2,1-4H3"	"RKMGAJGJIURJSJ-UHFFFAOYSA-N"	"?"
"2584"	"102-08-9"	"Thiocarbanilide"	"DTXSID4026139"	"S=C(NC1C=CC=CC=1)NC1C=CC=CC=1"	"InChI=1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)"	"FCSHMCFRCYZTRQ-UHFFFAOYSA-N"	"?"
"2585"	"105-59-9"	"N-Methyldiethanolamine"	"DTXSID8025591"	"CN(CCO)CCO"	"InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3"	"CRVGTESFCCXCTH-UHFFFAOYSA-N"	"?"
"2586"	"705-29-3"	"Benzene, 1-(chloromethyl)-3-(trifluoromethyl)-"	"DTXSID0061036"	"FC(F)(F)C1C=C(CCl)C=CC=1"	"InChI=1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2"	"XGASTRVQNVVYIZ-UHFFFAOYSA-N"	"?"
"2587"	"156-87-6"	"3-Aminopropanol"	"DTXSID0059746"	"NCCCO"	"InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2"	"WUGQZFFCHPXWKQ-UHFFFAOYSA-N"	"?"
"2588"	"51356-14-0"	"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone"	"DTXSID40199361"	"COP(=S)(OC)SCN1N=C(C=CC1=O)C1C=CC=CC=1"	"InChI=1S/C13H15N2O3PS2/c1-17-19(20,18-2)21-10-15-13(16)9-8-12(14-15)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3"	"LAQIMLKRFQBCJD-UHFFFAOYSA-N"	"?"
"2589"	"98-12-4"	"Cyclohexane, (trichlorosilyl)-"	"DTXSID0059160"	"Cl[Si](Cl)(Cl)C1CCCCC1"	"InChI=1S/C6H11Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2"	"SIPHWXREAZVVNS-UHFFFAOYSA-N"	"?"
"2590"	"17040-19-6"	"Demeton-S-methylsulphon"	"DTXSID4037582"	"CCS(=O)(=O)CCSP(=O)(OC)OC"	"InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3"	"PZIRJMYRYORVIT-UHFFFAOYSA-N"	"?"
"2591"	"61706-44-3"			"CC(C1=CC=C(N)C=C1)(C1C=CC=CC=1)C(N)=O"	"InChI=1S/C15H16N2O/c1-15(14(17)18,11-5-3-2-4-6-11)12-7-9-13(16)10-8-12/h2-10H,16H2,1H3,(H2,17,18)"	"CAOYRGMDWVIDGV-UHFFFAOYSA-N"	"?"
"2592"	"99-92-3"	"4-Aminoacetophenone"	"DTXSID6052669"	"CC(=O)C1C=CC(N)=CC=1"	"InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3"	"GPRYKVSEZCQIHD-UHFFFAOYSA-N"	"?"
"2593"	"623-81-4"	"Sulfurous acid, diethyl ester"	"DTXSID0060777"	"CCOS(=O)OCC"	"InChI=1S/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3"	"NVJBFARDFTXOTO-UHFFFAOYSA-N"	"?"
"2594"	"66232-26-6"	"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, undecyl ester"	"DTXSID20216429"	"CCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl"	"InChI=1S/C23H37Cl2NO2/c1-2-3-4-5-6-7-8-9-10-19-28-23(27)20-21-11-13-22(14-12-21)26(17-15-24)18-16-25/h11-14H,2-10,15-20H2,1H3"	"KXQOWLUWNIVZES-UHFFFAOYSA-N"	"?"
"2595"	"2547-61-7"	"Methanesulfonyl chloride, trichloro-"	"DTXSID0062507"	"O=S(=O)(Cl)C(Cl)(Cl)Cl"	"InChI=1S/CCl4O2S/c2-1(3,4)8(5,6)7"	"ZCPSWAFANXCCOT-UHFFFAOYSA-N"	"?"
"2596"	"589-57-1"	"Phosphorochloridous acid, diethyl ester"	"DTXSID0060430"	"CCOP(Cl)OCC"	"InChI=1S/C4H10ClO2P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3"	"TXHWYSOQHNMOOU-UHFFFAOYSA-N"	"?"
"2597"	"407-47-6"	"2,2,2-Trifluoroethyl acrylate"	"DTXSID0059958"	"C=CC(=O)OCC(F)(F)F"	"InChI=1S/C5H5F3O2/c1-2-4(9)10-3-5(6,7)8/h2H,1,3H2"	"VBHXIMACZBQHPX-UHFFFAOYSA-N"	"?"
"2598"	"1401-55-4"	"Tannic acid"	"DTXSID2026076"	"OC1=C(C=C(C=C1O)C(=O)OC1C(OC(=O)C2C=C(O)C(O)=C(C=2)OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(COC(=O)C2C=C(O)C(O)=C(C=2)OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1C=C(O)C(O)=C(C=1)OC(=O)C1=CC(O)=C(O)C(O)=C1)OC(=O)C1C=C(O)C(O)=C(C=1)OC(=O)C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1"	"InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2"	"LRBQNJMCXXYXIU-UHFFFAOYSA-N"	"?"
"2599"	"1000-70-0"	"Silanamine, N,N'-methanetetraylbis[1,1,1-trimethyl-"	"DTXSID0061379"	"C[Si](C)(C)N=C=N[Si](C)(C)C"	"InChI=1S/C7H18N2Si2/c1-10(2,3)8-7-9-11(4,5)6/h1-6H3"	"KSVMTHKYDGMXFJ-UHFFFAOYSA-N"	"?"
"2600"	"60595-60-0"			"Cc1ccc(C)c2c(=O)cc(C)oc12"	"InChI=1S/C12H12O2/c1-7-4-5-8(2)12-11(7)10(13)6-9(3)14-12/h4-6H,1-3H3"	"KJRCVOWXLZJQKW-UHFFFAOYSA-N"	"?"
"2601"	"1121-60-4"	"2-Pyridinecarboxaldehyde"	"DTXSID1061522"	"O=CC1=CC=CC=N1"	"InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H"	"CSDSSGBPEUDDEE-UHFFFAOYSA-N"	"?"
"2602"	"619-25-0"	"Benzenemethanol, 3-nitro-"	"DTXSID0060698"	"[O-][N+](=O)C1C=C(CO)C=CC=1"	"InChI=1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2"	"CWNPOQFCIIFQDM-UHFFFAOYSA-N"	"?"
"2603"	"2435-76-9"	"2,4(3H,5H)-Pyrimidinedione, 5-diazo-"	"DTXSID0062420"	"N#N=C1C=NC(=O)NC1=O"	"InChI=1S/C4H2N4O2/c5-8-2-1-6-4(10)7-3(2)9/h1H,(H,7,9,10)"	"VEOLNAAQJHGJPM-UHFFFAOYSA-N"	"?"
"2604"	"14214-32-5"	"Difenoxuron"	"DTXSID9041863"	"COC1C=CC(=CC=1)OC1C=CC(=CC=1)NC(=O)N(C)C"	"InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)"	"AMVYOVYGIJXTQB-UHFFFAOYSA-N"	"?"
"2605"	"507-02-8"	"Acetyl iodide"	"DTXSID0060141"	"CC(=O)I"	"InChI=1S/C2H3IO/c1-2(3)4/h1H3"	"LEKJTGQWLAUGQA-UHFFFAOYSA-N"	"?"
"2606"	"5694-72-4"			"OCC1COC(CC2C=CC=CC=2)O1"	"InChI=1S/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2"	"ZPENOSKWEKGDCX-UHFFFAOYSA-N"	"?"
"2607"	"92-84-2"	"Phenothiazine"	"DTXSID5021126"	"C1=CC=CC2NC3C=CC=CC=3SC=21"	"InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H"	"WJFKNYWRSNBZNX-UHFFFAOYSA-N"	"?"
"2608"	"91-77-0"	"1,3,5-Triazine-2,4,6-triamine, N,N-di-2-propenyl-"	"DTXSID0059031"	"C=CCN(CC=C)C1N=C(N)N=C(N)N=1"	"InChI=1S/C9H14N6/c1-3-5-15(6-4-2)9-13-7(10)12-8(11)14-9/h3-4H,1-2,5-6H2,(H4,10,11,12,13,14)"	"ROHTVIURAJBDES-UHFFFAOYSA-N"	"?"
"2609"	"93-16-3"	"4-Prop-1-enylveratrole"	"DTXSID0052621"	"CC=CC1=CC(OC)=C(C=C1)OC"	"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3"	"NNWHUJCUHAELCL-UHFFFAOYSA-N"	"?"
"2610"	"13171-25-0"	"Trimetazidine dihydrochloride"	"DTXSID1045407"	"COC1C(OC)=C(CN2CCNCC2)C=CC=1OC"	"InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3"	"UHWVSEOVJBQKBE-UHFFFAOYSA-N"	"Cl.Cl"
"2611"	"91-63-4"	"Quinaldine"	"DTXSID3040271"	"CC1C=CC2C=CC=CC=2N=1"	"InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3"	"SMUQFGGVLNAIOZ-UHFFFAOYSA-N"	"?"
"2612"	"22254-24-6"	"Ipratropium bromide"	"DTXSID60858923"	"CC(C)[N+]1(C)C2CC(CC1CC2)OC(=O)C(CO)C1C=CC=CC=1"	"InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1"	"OEXHQOGQTVQTAT-UHFFFAOYSA-N"	"[Br-]"
"2613"	"937-39-3"	"Benzeneacetic acid, hydrazide"	"DTXSID0061327"	"NNC(=O)CC1C=CC=CC=1"	"InChI=1S/C8H10N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)"	"FPTCVTJCJMVIDV-UHFFFAOYSA-N"	"?"
"2614"	"106-40-1"	"4-Bromoaniline"	"DTXSID7021867"	"NC1=CC=C(Br)C=C1"	"InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2"	"WDFQBORIUYODSI-UHFFFAOYSA-N"	"?"
"2615"	"589-75-3"	"Butyl octanoate"	"DTXSID0060432"	"CCCCOC(=O)CCCCCCC"	"InChI=1S/C12H24O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h3-11H2,1-2H3"	"PSXNDMJWRZYVTM-UHFFFAOYSA-N"	"?"
"2616"	"2770-75-4"	"1,3,5-Triazine-2,4(1H,3H)-dithione, 6-amino-"	"DTXSID0062636"	"NC1N=C(S)N=C(S)N=1"	"InChI=1S/C3H4N4S2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)"	"QQLZTRHXUSFZOM-UHFFFAOYSA-N"	"?"
"2617"	"105-77-1"	"Thioperoxydicarbonic acid ([(HO)C(S)]2S2), dibutyl ester"	"DTXSID0059320"	"CCCCOC(=S)SSC(=S)OCCCC"	"InChI=1S/C10H18O2S4/c1-3-5-7-11-9(13)15-16-10(14)12-8-6-4-2/h3-8H2,1-2H3"	"QCAZHHXMIVSLMW-UHFFFAOYSA-N"	"?"
"2618"	"80-62-6"	"Methyl methacrylate"	"DTXSID2020844"	"CC(=C)C(=O)OC"	"InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3"	"VVQNEPGJFQJSBK-UHFFFAOYSA-N"	"?"
"2619"	"609-08-5"	"Propanedioic acid, methyl-, diethyl ester"	"DTXSID0060565"	"CC(C(=O)OCC)C(=O)OCC"	"InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3"	"UPQZOUHVTJNGFK-UHFFFAOYSA-N"	"?"
"2620"	"2050-66-0"	"Disulfide, bis(4-chloro-2-nitrophenyl)"	"DTXSID0062135"	"[O-][N+](=O)C1C=C(Cl)C=CC=1SSC1C=CC(Cl)=CC=1[N+]([O-])=O"	"InChI=1S/C12H6Cl2N2O4S2/c13-7-1-3-11(9(5-7)15(17)18)21-22-12-4-2-8(14)6-10(12)16(19)20/h1-6H"	"DESADCWXGJLRSR-UHFFFAOYSA-N"	"?"
"2621"	"93-79-8"	"Butyl (2,4,5-trichlorophenoxy)acetate"	"DTXSID7026073"	"CCCCOC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl"	"InChI=1S/C12H13Cl3O3/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15/h5-6H,2-4,7H2,1H3"	"FNEXNZUHBCBQTI-UHFFFAOYSA-N"	"?"
"2622"	"556-72-9"	"Pyrimidine, 1,2,5,6-tetrahydro-2,2,4,6,6-pentamethyl-"	"DTXSID0060309"	"CC1(C)NC(C)(C)CC(C)=N1"	"InChI=1S/C9H18N2/c1-7-6-8(2,3)11-9(4,5)10-7/h11H,6H2,1-5H3"	"PIFBMJMXJMZZRG-UHFFFAOYSA-N"	"?"
"2623"	"56839-43-1"	"Eperisone hydrochloride"	"DTXSID8047844"	"CCC1=CC=C(C=C1)C(=O)C(C)CN1CCCCC1"	"InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3"	"SQUNAWUMZGQQJD-UHFFFAOYSA-N"	"Cl"
"2624"	"156-08-1"	"Benzphetamine"	"DTXSID4022656"	"CC(CC1C=CC=CC=1)N(C)CC1C=CC=CC=1"	"InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3"	"YXKTVDFXDRQTKV-UHFFFAOYSA-N"	"?"
"2625"	"1674-18-6"	"Benzene, 1,1',1'',1'''-(1,2-propadiene-1,3-diylidene)tetrakis-"	"DTXSID0061870"	"C1=CC=CC=C1C(=C=C(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C27H20/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H"	"IFDRDSWHWMTLKM-UHFFFAOYSA-N"	"?"
"2626"	"1006-99-1"	"Benzothiazole, 5-chloro-2-methyl-"	"DTXSID0061402"	"CC1=NC2=CC(Cl)=CC=C2S1"	"InChI=1S/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3"	"XCALAYIRFYALSX-UHFFFAOYSA-N"	"?"
"2627"	"1576-43-8"	"Benzenesulfonamide, 4-hydroxy-"	"DTXSID0061797"	"NS(=O)(=O)C1C=CC(O)=CC=1"	"InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)"	"DIRCLGLKRZLKHG-UHFFFAOYSA-N"	"?"
"2628"	"77-25-8"	"Propanedioic acid, diethyl-, diethyl ester"	"DTXSID0058807"	"CCC(CC)(C(=O)OCC)C(=O)OCC"	"InChI=1S/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3"	"ZKBBUZRGPULIRN-UHFFFAOYSA-N"	"?"
"2629"	"10138-44-0"			"CC1CC(OC=C1)OCC"	"InChI=1S/C8H14O2/c1-3-9-8-6-7(2)4-5-10-8/h4-5,7-8H,3,6H2,1-2H3"	"FYICJILYYFSSLQ-UHFFFAOYSA-N"	"?"
"2630"	"331-25-9"	"Benzeneacetic acid, 3-fluoro-"	"DTXSID0059821"	"OC(=O)CC1C=C(F)C=CC=1"	"InChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)"	"YEAUYVGUXSZCFI-UHFFFAOYSA-N"	"?"
"2631"	"1122-93-6"	"Phenol, 4-methoxy-, potassium salt"	"DTXSID0061535"	"COC1C=CC(O)=CC=1"	"InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3"	"NWVVVBRKAWDGAB-UHFFFAOYSA-N"	"[K+]"
"2632"	"71-43-2"	"Benzene"	"DTXSID3039242"	"C1C=CC=CC=1"	"InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"	"UHOVQNZJYSORNB-UHFFFAOYSA-N"	"?"
"2633"	"2842-37-7"	"Ethanol, 2-(phenethylamino)-"	"DTXSID40182632"	"OCCNCCC1C=CC=CC=1"	"InChI=1S/C10H15NO/c12-9-8-11-7-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2"	"WPOHVHKEDGUEPZ-UHFFFAOYSA-N"	"?"
"2634"	"17373-29-4"	"N,N-Dimethyltridecylamine"	"DTXSID0058510"	"CCCCCCCCCCCCCN(C)C"	"InChI=1S/C15H33N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h4-15H2,1-3H3"	"ADXNPXDFKKWVGE-UHFFFAOYSA-N"	"?"
"2635"	"17609-32-4"			"CC=CC=CC=CC(C)=O"	"InChI=1S/C9H12O/c1-3-4-5-6-7-8-9(2)10/h3-8H,1-2H3"	"YHVZVLYNHHTMSL-UHFFFAOYSA-N"	"?"
"2636"	"455-24-3"	"Benzoic acid, 4-(trifluoromethyl)-"	"DTXSID0060018"	"OC(=O)C1C=CC(=CC=1)C(F)(F)F"	"InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)"	"SWKPKONEIZGROQ-UHFFFAOYSA-N"	"?"
"2637"	"575-38-2"	"Napthalene-1,7-diol"	"DTXSID0060359"	"OC1C=C2C(C=CC=C2O)=CC=1"	"InChI=1S/C10H8O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6,11-12H"	"ZUVBIBLYOCVYJU-UHFFFAOYSA-N"	"?"
"2638"	"2351-37-3"	"[1,1'-Biphenyl]-4,4'-dicarbonyl dichloride"	"DTXSID0062343"	"O=C(Cl)C1C=CC(=CC=1)C1C=CC(=CC=1)C(=O)Cl"	"InChI=1S/C14H8Cl2O2/c15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18/h1-8H"	"QDBOAKPEXMMQFO-UHFFFAOYSA-N"	"?"
"2639"	"1009-62-7"	"Benzenepropanal, .alpha.,.alpha.-dimethyl-"	"DTXSID0061408"	"CC(C)(CC1C=CC=CC=1)C=O"	"InChI=1S/C11H14O/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3"	"KYUNECWPKRYPJM-UHFFFAOYSA-N"	"?"
"2640"	"2622-26-6"	"Periciazine"	"DTXSID5045910"	"N#CC1=CC2=C(C=C1)SC1C=CC=CC=1N2CCCN1CCC(O)CC1"	"InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2"	"LUALIOATIOESLM-UHFFFAOYSA-N"	"?"
"2641"	"109-06-8"	"2-Methylpyridine"	"DTXSID9021899"	"CC1C=CC=CN=1"	"InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3"	"BSKHPKMHTQYZBB-UHFFFAOYSA-N"	"?"
"2642"	"2441-27-2"	"Silane, trichloro(1-chloroethenyl)-"	"DTXSID0062422"	"C=C(Cl)[Si](Cl)(Cl)Cl"	"InChI=1S/C2H2Cl4Si/c1-2(3)7(4,5)6/h1H2"	"VWMDRWHOSUUULE-UHFFFAOYSA-N"	"?"
"2643"	"1072-03-3"	"Ethanol, 2-(ethylamino)-, hydrogen sulfate (ester)"	"DTXSID0061456"	"CCNCCOS(O)(=O)=O"	"InChI=1S/C4H11NO4S/c1-2-5-3-4-9-10(6,7)8/h5H,2-4H2,1H3,(H,6,7,8)"	"NDICMYVRYUEIEM-UHFFFAOYSA-N"	"?"
"2644"	"128-86-9"	"2,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-"	"DTXSID0059584"	"NC1C=C(C(O)=C2C=1C(=O)C1=C(C2=O)C(N)=CC(=C1O)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C14H10N2O10S2/c15-3-1-5(27(21,22)23)11(17)9-7(3)13(19)10-8(14(9)20)4(16)2-6(12(10)18)28(24,25)26/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26)"	"MVWQCFNJWMLYDF-UHFFFAOYSA-N"	"?"
"2645"	"483-63-6"	"Crotamiton"	"DTXSID6040664"	"CC1C=CC=CC=1N(CC)C(=O)C=CC"	"InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3"	"DNTGGZPQPQTDQF-UHFFFAOYSA-N"	"?"
"2646"	"128-90-5"	"2,7-Anthracenedisulfonic acid, 9,10-dihydro-1,8-dihydroxy-4,5-dinitro-9,10-dioxo-"	"DTXSID0059588"	"[O-][N+](=O)C1C=C(C(O)=C2C=1C(=O)C1=C(C2=O)C(O)=C(C=C1[N+]([O-])=O)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C14H6N2O14S2/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)10-8(13(7)19)4(16(23)24)2-6(12(10)18)32(28,29)30/h1-2,17-18H,(H,25,26,27)(H,28,29,30)"	"JJRLFGKLVBSIQX-UHFFFAOYSA-N"	"?"
"2647"	"65405-70-1"	"(E)-4-Decenal"	"DTXSID0052338"	"CCCCCC=CCCC=O"	"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3"	"CWRKZMLUDFBPAO-UHFFFAOYSA-N"	"?"
"2648"	"3415-57-4"	"1-Propanol, 3,3'-(ethylimino)di-, dimethanesulfonate (ester), hydrochloride"	"DTXSID30187757"	"CCN(CCCOS(C)(=O)=O)CCCOS(C)(=O)=O"	"InChI=1S/C10H23NO6S2/c1-4-11(7-5-9-16-18(2,12)13)8-6-10-17-19(3,14)15/h4-10H2,1-3H3"	"JDOVTLKVLSSUEN-UHFFFAOYSA-N"	"Cl"
"2649"	"3759-61-3"	"Carbonochloridic acid, 1-naphthalenyl ester"	"DTXSID3063170"	"O=C(Cl)OC1C=CC=C2C=CC=CC2=1"	"InChI=1S/C11H7ClO2/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H"	"JRUFQZPDRRGHEF-UHFFFAOYSA-N"	"?"
"2650"	"99422-01-2"	"1,3-Cyclohexanedione, 5-[2-(ethylthio)propyl]-2-(1-oxopropyl)-"	"DTXSID40869335"	"CC(CC1CC(=O)C(C(=O)CC)C(=O)C1)SCC"	"InChI=1S/C14H22O3S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)18-5-2/h9-10,14H,4-8H2,1-3H3"	"MMMFVTMCUXGRHD-UHFFFAOYSA-N"	"?"
"2651"	"111-45-5"	"Ethanol, 2-(2-propenyloxy)-"	"DTXSID0059401"	"C=CCOCCO"	"InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2"	"GCYHRYNSUGLLMA-UHFFFAOYSA-N"	"?"
"2652"	"68738-96-5"	"Octahydro-5,5-dimethylnaphthalene-2-carbaldehyde"	"DTXSID0052417"	"CC1(C)CCCC2CC(C=O)C=CC12"	"InChI=1S/C13H20O/c1-13(2)7-3-4-11-8-10(9-14)5-6-12(11)13/h5-6,9-12H,3-4,7-8H2,1-2H3"	"CLZIIFKAONSYLI-UHFFFAOYSA-N"	"?"
"2653"	"34256-82-1"	"Acetochlor"	"DTXSID8023848"	"CC1=CC=CC(CC)=C1N(COCC)C(=O)CCl"	"InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3"	"VTNQPKFIQCLBDU-UHFFFAOYSA-N"	"?"
"2654"	"80834-49-7"	"2(1H)-Quinolinone, 3,4-dihydro-6-(1-oxo-4-(4-phenyl-1-piperazinyl)butyl)-, monohydrochloride"	"DTXSID00230648"	"O=C1CCC2=CC(=CC=C2N1)C(=O)CCCN1CCN(CC1)C1C=CC=CC=1"	"InChI=1S/C23H27N3O2/c27-22(19-8-10-21-18(17-19)9-11-23(28)24-21)7-4-12-25-13-15-26(16-14-25)20-5-2-1-3-6-20/h1-3,5-6,8,10,17H,4,7,9,11-16H2,(H,24,28)"	"SOCYUVIDEAHLSD-UHFFFAOYSA-N"	"Cl"
"2655"	"538-75-0"	"Dicyclohexylcarbodiimide"	"DTXSID1023817"	"C1CCCCC1N=C=NC1CCCCC1"	"InChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2"	"QOSSAOTZNIDXMA-UHFFFAOYSA-N"	"?"
"2656"	"59375-65-4"			"CNC(=O)ON=C1CSCS1"	"InChI=1S/C5H8N2O2S2/c1-6-5(8)9-7-4-2-10-3-11-4/h2-3H2,1H3,(H,6,8)"	"FJNLLRZFYQFQHJ-UHFFFAOYSA-N"	"?"
"2657"	"98-10-2"	"Benzenesulfonamide"	"DTXSID1059159"	"NS(=O)(=O)C1C=CC=CC=1"	"InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)"	"KHBQMWCZKVMBLN-UHFFFAOYSA-N"	"?"
"2658"	"93-48-1"	"Benzenemethanamine, 2,5-dimethyl-"	"DTXSID0059087"	"CC1=CC(CN)=C(C)C=C1"	"InChI=1S/C9H13N/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6,10H2,1-2H3"	"LUJNPFWZXIGIPS-UHFFFAOYSA-N"	"?"
"2659"	"51-05-8"	"Procaine hydrochloride"	"DTXSID1044435"	"CCN(CCOC(=O)C1C=CC(N)=CC=1)CC"	"InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3"	"MFDFERRIHVXMIY-UHFFFAOYSA-N"	"Cl"
"2660"	"590-14-7"	"1-Propene, 1-bromo-"	"DTXSID0060438"	"CC=CBr"	"InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3"	"NNQDMQVWOWCVEM-UHFFFAOYSA-N"	"?"
"2661"	"1830-32-6"	"Azintamide"	"DTXSID50171370"	"CCN(CC)C(=O)CSC1C=CC(Cl)=NN=1"	"InChI=1S/C10H14ClN3OS/c1-3-14(4-2)10(15)7-16-9-6-5-8(11)12-13-9/h5-6H,3-4,7H2,1-2H3"	"SSLKKMZJCJBOML-UHFFFAOYSA-N"	"?"
"2662"	"25564-22-1"	"2-Pentyl-2-cyclopenten-1-one"	"DTXSID6029331"	"CCCCCC1=CCCC1=O"	"InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h7H,2-6,8H2,1H3"	"ILHZVKAXFCDFMT-UHFFFAOYSA-N"	"?"
"2663"	"57-94-3"	"(+)-Tubocurarine chloride hydrochloride"	"DTXSID2023727"	"COC1C=C2CCN(C)C3CC4C=CC(=CC=4)OC4=C5C(CC6=CC(OC=1C=C23)=C(O)C=C6)[N+](C)(C)CCC5=CC(OC)=C4O"	"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1"	"JFJZZMVDLULRGK-UHFFFAOYSA-O"	"[Cl-].Cl"
"2664"	"54783-36-7"	"3-Methyl-6-(propan-2-yl)cyclohexane-1,2-dione"	"DTXSID0052209"	"CC(C)C1CCC(C)C(=O)C1=O"	"InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-8H,4-5H2,1-3H3"	"DIDQHWMZIHCWQH-UHFFFAOYSA-N"	"?"
"2665"	"150-77-6"	"1,2-Ethanediamine, N,N,N',N'-tetraethyl-"	"DTXSID0059740"	"CCN(CCN(CC)CC)CC"	"InChI=1S/C10H24N2/c1-5-11(6-2)9-10-12(7-3)8-4/h5-10H2,1-4H3"	"DIHKMUNUGQVFES-UHFFFAOYSA-N"	"?"
"2666"	"455-13-0"	"4-Iodobenzotrifluoride"	"DTXSID0060012"	"FC(F)(F)C1C=CC(I)=CC=1"	"InChI=1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H"	"SKGRFPGOGCHDPC-UHFFFAOYSA-N"	"?"
"2667"	"335-05-7"	"Methanesulfonyl fluoride, trifluoro-"	"DTXSID0059827"	"O=S(=O)(F)C(F)(F)F"	"InChI=1S/CF4O2S/c2-1(3,4)8(5,6)7"	"SLVAEVYIJHDKRO-UHFFFAOYSA-N"	"?"
"2668"	"1008-88-4"	"3-Phenylpyridine"	"DTXSID0061404"	"C1=NC=CC=C1C1C=CC=CC=1"	"InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H"	"HJKGBRPNSJADMB-UHFFFAOYSA-N"	"?"
"2669"	"869-01-2"	"N-Butyl-N-nitrosourea"	"DTXSID2020214"	"CCCCN(N=O)C(N)=O"	"InChI=1S/C5H11N3O2/c1-2-3-4-8(7-10)5(6)9/h2-4H2,1H3,(H2,6,9)"	"LSWOCDLIYSKTRX-UHFFFAOYSA-N"	"?"
"2670"	"1201-38-3"	"Ethanone, 1-(2,5-dimethoxyphenyl)-"	"DTXSID0061618"	"CC(=O)C1C=C(C=CC=1OC)OC"	"InChI=1S/C10H12O3/c1-7(11)9-6-8(12-2)4-5-10(9)13-3/h4-6H,1-3H3"	"FAXUIYJKGGUCBO-UHFFFAOYSA-N"	"?"
"2671"	"299-86-5"	"Crufomate"	"DTXSID1037515"	"COP(=O)(NC)OC1C=CC(=CC=1Cl)C(C)(C)C"	"InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)"	"BOFHKBLZOYVHSI-UHFFFAOYSA-N"	"?"
"2672"	"61887-08-9"	"Propionamide, 2-(p-chlorophenoxy)-N-(3-(diethylamino)propyl)-2-methyl-"	"DTXSID50210879"	"CC(C)(OC1C=CC(Cl)=CC=1)C(=O)NCCCN(CC)CC"	"InChI=1S/C17H27ClN2O2/c1-5-20(6-2)13-7-12-19-16(21)17(3,4)22-15-10-8-14(18)9-11-15/h8-11H,5-7,12-13H2,1-4H3,(H,19,21)"	"QYEAGDCUUIAVGQ-UHFFFAOYSA-N"	"?"
"2673"	"123-08-0"	"p-Hydroxybenzaldehyde"	"DTXSID8059552"	"OC1=CC=C(C=C1)C=O"	"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H"	"RGHHSNMVTDWUBI-UHFFFAOYSA-N"	"?"
"2674"	"3279-62-7"	"Phosphoric acid, 2,4-dichlorophenyl diethyl ester"	"DTXSID40186453"	"CCOP(=O)(OC1C=CC(Cl)=CC=1Cl)OCC"	"InChI=1S/C10H13Cl2O4P/c1-3-14-17(13,15-4-2)16-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3"	"TVZVEGZSJDAAKQ-UHFFFAOYSA-N"	"?"
"2675"	"92-12-6"	"Phenyltoloxamine"	"DTXSID9023467"	"CN(C)CCOC1C=CC=CC=1CC1C=CC=CC=1"	"InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3"	"IZRPKIZLIFYYKR-UHFFFAOYSA-N"	"?"
"2676"	"109-77-3"	"Propanedinitrile"	"DTXSID6021907"	"N#CCC#N"	"InChI=1S/C3H2N2/c4-2-1-3-5/h1H2"	"CUONGYYJJVDODC-UHFFFAOYSA-N"	"?"
"2677"	"678-77-3"	"Pentanedioyl dichloride, hexafluoro-"	"DTXSID0060985"	"O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(=O)Cl"	"InChI=1S/C5Cl2F6O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15"	"QOLALWJWCONGMG-UHFFFAOYSA-N"	"?"
"2678"	"372-25-8"	"3-Penten-2-one, 1,1,1,5,5,5-hexafluoro-4-methyl-"	"DTXSID0059904"	"CC(=CC(=O)C(F)(F)F)C(F)(F)F"	"InChI=1S/C6H4F6O/c1-3(5(7,8)9)2-4(13)6(10,11)12/h2H,1H3"	"WRMWSVCCMDLQCJ-UHFFFAOYSA-N"	"?"
"2679"	"2530-85-0"	"3-(Trimethoxysilyl)propyl methacrylate"	"DTXSID3029237"	"CC(=C)C(=O)OCCC[Si](OC)(OC)OC"	"InChI=1S/C10H20O5Si/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5/h1,6-8H2,2-5H3"	"XDLMVUHYZWKMMD-UHFFFAOYSA-N"	"?"
"2680"	"3236-63-3"	"Phenol, 2,2'-methylenebis[4-methyl-"	"DTXSID0062923"	"CC1=CC(CC2C=C(C)C=CC=2O)=C(O)C=C1"	"InChI=1S/C15H16O2/c1-10-3-5-14(16)12(7-10)9-13-8-11(2)4-6-15(13)17/h3-8,16-17H,9H2,1-2H3"	"XZXYQEHISUMZAT-UHFFFAOYSA-N"	"?"
"2681"	"17702-78-2"			"CCOP(=S)(OC(C)C)SC1N=C(C)C=C(C)N=1"	"InChI=1S/C11H19N2O2PS2/c1-6-14-16(17,15-8(2)3)18-11-12-9(4)7-10(5)13-11/h7-8H,6H2,1-5H3"	"IQYJDJBTQWOOOH-UHFFFAOYSA-N"	"?"
"2682"	"50-44-2"	"6-Mercaptopurine"	"DTXSID0020810"	"S=C1NC=NC2NC=NC=21"	"InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)"	"GLVAUDGFNGKCSF-UHFFFAOYSA-N"	"?"
"2683"	"1315251-11-6"	"5H-Cyclopenta[h]quinazoline, 6,7,8,9-tetrahydro-7,7,8,9,9-pentamethyl-"	"DTXSID70889288"	"CC1(C)C(C)C(C)(C)C2C3=NC=NC=C3CCC1=2"	"InChI=1S/C16H22N2/c1-10-15(2,3)12-7-6-11-8-17-9-18-14(11)13(12)16(10,4)5/h8-10H,6-7H2,1-5H3"	"YVFVTDLZSKSFCQ-UHFFFAOYSA-N"	"?"
"2684"	"623-78-9"	"Ethyl ethylcarbamate"	"DTXSID0060775"	"CCOC(=O)NCC"	"InChI=1S/C5H11NO2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7)"	"GZXSDYYWLZERLF-UHFFFAOYSA-N"	"?"
"2685"	"32784-82-0"	"Improsulfan tosylate"	"DTXSID1048750"	"CS(=O)(=O)OCCCNCCCOS(C)(=O)=O"	"InChI=1S/C8H19NO6S2/c1-16(10,11)14-7-3-5-9-6-4-8-15-17(2,12)13/h9H,3-8H2,1-2H3"	"DBIGHPPNXATHOF-UHFFFAOYSA-N"	"CC1=CC=C(S(O)(=O)=O)C=C1"
"2686"	"68555-58-8"	"3-Methyl-2-butenyl salicylate"	"DTXSID0052415"	"CC(C)=COC(=O)C1=CC=CC=C1C"	"InChI=1S/C12H14O2/c1-9(2)8-14-12(13)11-7-5-4-6-10(11)3/h4-8H,1-3H3"	"BZBDNWAYWNEHTQ-UHFFFAOYSA-N"	"?"
"2687"	"98-28-2"	"Phenol, 2-chloro-4-(1,1-dimethylethyl)-"	"DTXSID0059164"	"CC(C)(C)C1C=CC(O)=C(Cl)C=1"	"InChI=1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3"	"PRLINSMUYJWPBL-UHFFFAOYSA-N"	"?"
"2688"	"641-70-3"	"1,3-Isobenzofurandione, 4-nitro-"	"DTXSID0060939"	"[O-][N+](=O)C1C=CC=C2C=1C(=O)OC2=O"	"InChI=1S/C8H3NO5/c10-7-4-2-1-3-5(9(12)13)6(4)8(11)14-7/h1-3H"	"ROFZMKDROVBLNY-UHFFFAOYSA-N"	"?"
"2689"	"15625-89-5"	"Trimethylolpropane triacrylate"	"DTXSID0027773"	"CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C"	"InChI=1S/C15H20O6/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3/h5-7H,1-3,8-11H2,4H3"	"DAKWPKUUDNSNPN-UHFFFAOYSA-N"	"?"
"2690"	"121-97-1"	"1-Propanone, 1-(4-methoxyphenyl)-"	"DTXSID0059536"	"CCC(=O)C1C=CC(=CC=1)OC"	"InChI=1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3"	"ZJVAWPKTWVFKHG-UHFFFAOYSA-N"	"?"
"2691"	"3688-53-7"	"AF-2"	"DTXSID9020033"	"NC(=O)C(=CC1=CC=C(O1)[N+]([O-])=O)C1=CC=CO1"	"InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)"	"LYAHJFZLDZDIOH-UHFFFAOYSA-N"	"?"
"2692"	"89427-12-3"	"Benzimidazole-4,7-diol, 2-(trifluoromethyl)-"	"DTXSID20237674"	"OC1C=CC(O)=C2N=C(NC=12)C(F)(F)F"	"InChI=1S/C8H5F3N2O2/c9-8(10,11)7-12-5-3(14)1-2-4(15)6(5)13-7/h1-2,14-15H,(H,12,13)"	"DCFYIZVYJUHHPR-UHFFFAOYSA-N"	"?"
"2693"	"2412-80-8"	"Methyl 4-methylvalerate"	"DTXSID0062393"	"COC(=O)CCC(C)C"	"InChI=1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3"	"KBCOVKHULBZKNY-UHFFFAOYSA-N"	"?"
"2694"	"94-85-9"	"Benzenamine, 2,5-diethoxy-"	"DTXSID0059110"	"CCOC1=CC(N)=C(C=C1)OCC"	"InChI=1S/C10H15NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4,11H2,1-2H3"	"XPKFTIYOZUJAGA-UHFFFAOYSA-N"	"?"
"2695"	"507-63-1"	"Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-"	"DTXSID0060147"	"FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I"	"InChI=1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26"	"KWXGJTSJUKTDQU-UHFFFAOYSA-N"	"?"
"2696"	"760-21-4"	"3-Methylenepentane"	"DTXSID0061080"	"CCC(=C)CC"	"InChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3"	"RYKZRKKEYSRDNF-UHFFFAOYSA-N"	"?"
"2697"	"1830-77-9"	"2-Anthracenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-"	"DTXSID0062008"	"CC1C=CC=CC=1NC(=O)C1C=C2C=C3C=CC=CC3=CC2=CC=1O"	"InChI=1S/C22H17NO2/c1-14-6-2-5-9-20(14)23-22(25)19-12-17-10-15-7-3-4-8-16(15)11-18(17)13-21(19)24/h2-13,24H,1H3,(H,23,25)"	"XCDIDHPTOCAKAB-UHFFFAOYSA-N"	"?"
"2698"	"1867-72-7"			"CC(C)(C)NCCCCN"	"InChI=1S/C8H20N2/c1-8(2,3)10-7-5-4-6-9/h10H,4-7,9H2,1-3H3"	"JAUBXQBMUWRRNS-UHFFFAOYSA-N"	"[Cl-].[Cl-]"
"2699"	"58259-60-2"			"COP(C)(=O)SC"	"InChI=1S/C3H9O2PS/c1-5-6(2,4)7-3/h1-3H3"	"XXJOBAQYIIOHIP-UHFFFAOYSA-N"	"?"
"2700"	"138-53-4"			"N#CC(OC1OC(CO)C(O)C(O)C1O)C1C=CC=CC=1"	"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2"	"ZKSZEJFBGODIJW-UHFFFAOYSA-N"	"?"
"2701"	"6536-18-1"			"C[n]1c(C)c(CN2CCOC(C2C)C2C=CC=CC=2)c(=O)[n]1C1C=CC=CC=1"	"InChI=1S/C23H27N3O2/c1-17-21(23(27)26(24(17)3)20-12-8-5-9-13-20)16-25-14-15-28-22(18(25)2)19-10-6-4-7-11-19/h4-13,18,22H,14-16H2,1-3H3"	"OOGNFQMTGRZRAB-UHFFFAOYSA-N"	"?"
"2702"	"81-86-7"	"1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-bromo-"	"DTXSID0058857"	"O=C1OC(=O)C2C=CC(Br)=C3C=CC=C1C=23"	"InChI=1S/C12H5BrO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H"	"DTUOTSLAFJCQHN-UHFFFAOYSA-N"	"?"
"2703"	"2618-96-4"	"Benzenesulfonamide, N-(phenylsulfonyl)-"	"DTXSID0062557"	"O=S(=O)(NS(=O)(=O)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C12H11NO4S2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12/h1-10,13H"	"OVQABVAKPIYHIG-UHFFFAOYSA-N"	"?"
"2704"	"3175-23-3"	"Propane, 1,2,2-trichloro-"	"DTXSID0062890"	"CC(Cl)(Cl)CCl"	"InChI=1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3"	"DAIIXVPKQATIMF-UHFFFAOYSA-N"	"?"
"2705"	"15386-08-0"	"Carbamic acid, (hydroxymethyl)methyl-, 1-naphthalenyl ester (9CI)"	"DTXSID70165458"	"CN(CO)C(=O)OC1=CC=CC2C=CC=CC=21"	"InChI=1S/C13H13NO3/c1-14(9-15)13(16)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-8,15H,9H2,1H3"	"ZQTYLOKPCPIWAU-UHFFFAOYSA-N"	"?"
"2706"	"20592-85-2"	"Phosphonic acid, [nitrilotris(methylene)]tris-, sodium salt"	"DTXSID4027812"	"OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O"	"InChI=1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)"	"YDONNITUKPKTIG-UHFFFAOYSA-N"	"[Na+]"
"2707"	"13078-15-4"			"ClC1=CC(=CC=C1)N1CCNCC1"	"InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2"	"VHFVKMTVMIZMIK-UHFFFAOYSA-N"	"Cl.Cl"
"2708"	"112-58-3"	"Hexane, 1,1'-oxybis-"	"DTXSID8059421"	"CCCCCCOCCCCCC"	"InChI=1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3"	"BPIUIOXAFBGMNB-UHFFFAOYSA-N"	"?"
"2709"	"2106-04-9"	"3-Chloro-2-fluoroaniline"	"DTXSID0062183"	"NC1=CC=CC(Cl)=C1F"	"InChI=1S/C6H5ClFN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2"	"XWBTZHDDWRNOQH-UHFFFAOYSA-N"	"?"
"2710"	"66332-77-2"			"CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC1C=CC=CC=1OC"	"InChI=1S/C20H24O3/c1-14(2)13-16-9-11-17(12-10-16)15(3)20(21)23-19-8-6-5-7-18(19)22-4/h5-12,14-15H,13H2,1-4H3"	"FVRWRGBTEHAPDI-UHFFFAOYSA-N"	"?"
"2711"	"72429-08-4"	"3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-Hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran"	"DTXSID0052467"	"CC1CC2CC(C)(C)OCC2CC=1C"	"InChI=1S/C13H22O/c1-9-5-11-7-13(3,4)14-8-12(11)6-10(9)2/h11-12H,5-8H2,1-4H3"	"RZLXGTKIGFFSMN-UHFFFAOYSA-N"	"?"
"2712"	"3570-61-4"	"Sodium 2-(2,4,5-trichlorophenoxy)ethyl sulfate"	"DTXSID8042395"	"OS(=O)(=O)OCCOC1C=C(Cl)C(Cl)=CC=1Cl"	"InChI=1S/C8H7Cl3O5S/c9-5-3-7(11)8(4-6(5)10)15-1-2-16-17(12,13)14/h3-4H,1-2H2,(H,12,13,14)"	"YWNCRLWPJZLWGH-UHFFFAOYSA-N"	"[Na+]"
"2713"	"73816-77-0"	"2-Naphthalenesulfonic acid, 5,6'-iminobis(1-hydroxy-"	"DTXSID70224251"	"OC1C2C=CC=C(NC3C=C4C=CC(=C(O)C4=CC=3)S(O)(=O)=O)C=2C=CC=1S(O)(=O)=O"	"InChI=1S/C20H15NO8S2/c22-19-13-6-5-12(10-11(13)4-8-17(19)30(24,25)26)21-16-3-1-2-15-14(16)7-9-18(20(15)23)31(27,28)29/h1-10,21-23H,(H,24,25,26)(H,27,28,29)"	"KDAAAKLXBBPAHF-UHFFFAOYSA-N"	"?"
"2714"	"873-74-5"	"Benzonitrile, 4-amino-"	"DTXSID0061240"	"NC1=CC=C(C=C1)C#N"	"InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2"	"YBAZINRZQSAIAY-UHFFFAOYSA-N"	"?"
"2715"	"2050-74-0"	"Naphthalene, 1,8-dichloro-"	"DTXSID0062139"	"ClC1C=CC=C2C=CC=C(Cl)C=12"	"InChI=1S/C10H6Cl2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H"	"ADRYPAGQXFMVFP-UHFFFAOYSA-N"	"?"
"2716"	"7341-63-1"	"Urea, 1-allyl-3-phenyl-2-thio-"	"DTXSID80223639"	"C=CCNC(=S)NC1C=CC=CC=1"	"InChI=1S/C10H12N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,11,12,13)"	"RJTICPGQFMYYEG-UHFFFAOYSA-N"	"?"
"2717"	"513-37-1"	"2,2-Dimethylvinyl chloride"	"DTXSID5020520"	"CC(C)=CCl"	"InChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3"	"KWISWUFGPUHDRY-UHFFFAOYSA-N"	"?"
"2718"	"609-21-2"	"Phenol, 4-amino-2,6-dibromo-"	"DTXSID0060567"	"NC1=CC(Br)=C(O)C(Br)=C1"	"InChI=1S/C6H5Br2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2"	"HFYPXERYZGFDBD-UHFFFAOYSA-N"	"?"
"2719"	"3567-26-8"	"Benzenesulfonamide, N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-p-methoxy-"	"DTXSID10189173"	"COC1C=CC(=CC=1)S(=O)(=O)NC1=NN=C(S1)C(C)(C)C"	"InChI=1S/C13H17N3O3S2/c1-13(2,3)11-14-15-12(20-11)16-21(17,18)10-7-5-9(19-4)6-8-10/h5-8H,1-4H3,(H,15,16)"	"GMRFPMLJHOFDDW-UHFFFAOYSA-N"	"?"
"2720"	"133-90-4"	"Chloramben"	"DTXSID2020262"	"NC1C=C(Cl)C=C(C(O)=O)C=1Cl"	"InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)"	"HSSBORCLYSCBJR-UHFFFAOYSA-N"	"?"
"2721"	"4531-49-1"	"Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(2-methoxyphenyl)-3-oxo-"	"DTXSID60863411"	"CC(=O)C(N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC=CC=1OC)C(C)=O)C(=O)NC1C=CC=CC=1OC"	"InChI=1S/C34H30Cl2N6O6/c1-19(43)31(33(45)37-27-9-5-7-11-29(27)47-3)41-39-25-15-13-21(17-23(25)35)22-14-16-26(24(36)18-22)40-42-32(20(2)44)34(46)38-28-10-6-8-12-30(28)48-4/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)"	"VTGOEJALMFECDQ-UHFFFAOYSA-N"	"?"
"2722"	"731-27-1"	"Tolylfluanid"	"DTXSID8042478"	"CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)C1C=CC(C)=CC=1"	"InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3"	"HYVWIQDYBVKITD-UHFFFAOYSA-N"	"?"
"2723"	"447-14-3"	".alpha.,.beta.,.beta.-Trifluorostyrene"	"DTXSID1060003"	"FC(F)=C(F)C1C=CC=CC=1"	"InChI=1S/C8H5F3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H"	"SUTQSIHGGHVXFK-UHFFFAOYSA-N"	"?"
"2724"	"335-66-0"	"Octanoyl fluoride, pentadecafluoro-"	"DTXSID0059829"	"O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C8F16O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24"	"ZILWJLIFAGWGLE-UHFFFAOYSA-N"	"?"
"2725"	"35783-57-4"	"Acetamide, N-(5-chloro-2-benzoxazolyl)-"	"DTXSID70189311"	"NC(=O)CC1=NC2=CC(Cl)=CC=C2O1"	"InChI=1S/C9H7ClN2O2/c10-5-1-2-7-6(3-5)12-9(14-7)4-8(11)13/h1-3H,4H2,(H2,11,13)"	"JSYBNEUCRYGVAR-UHFFFAOYSA-N"	"?"
"2726"	"74711-43-6"	"Zaltoprofen"	"DTXSID0049076"	"CC(C(O)=O)C1=CC2CC(=O)C3C=CC=CC=3SC=2C=C1"	"InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)"	"MUXFZBHBYYYLTH-UHFFFAOYSA-N"	"?"
"2727"	"101-99-5"	"Carbamic acid, phenyl-, ethyl ester"	"DTXSID0059243"	"CCOC(=O)NC1C=CC=CC=1"	"InChI=1S/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)"	"LBKPGNUOUPTQKA-UHFFFAOYSA-N"	"?"
"2728"	"105-99-7"	"Dibutyl hexanedioate"	"DTXSID2021866"	"CCCCOC(=O)CCCCC(=O)OCCCC"	"InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3"	"XTJFFFGAUHQWII-UHFFFAOYSA-N"	"?"
"2729"	"86-26-0"	"Biphenyl-2-yl methyl ether"	"DTXSID6052584"	"COC1C=CC=CC=1C1C=CC=CC=1"	"InChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3"	"NLWCWEGVNJVLAX-UHFFFAOYSA-N"	"?"
"2730"	"140-29-4"	"Benzyl cyanide"	"DTXSID2021492"	"N#CCC1C=CC=CC=1"	"InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2"	"SUSQOBVLVYHIEX-UHFFFAOYSA-N"	"?"
"2731"	"393-75-9"	"2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene"	"DTXSID8024781"	"[O-][N+](=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)C(F)(F)F"	"InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H"	"HFHAVERNVFNSHL-UHFFFAOYSA-N"	"?"
"2732"	"120-57-0"	"Piperonal"	"DTXSID7025924"	"O=CC1C=C2OCOC2=CC=1"	"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2"	"SATCULPHIDQDRE-UHFFFAOYSA-N"	"?"
"2733"	"3328-33-4"	"1-(Dimethyoxyphosphinyl)vinyl dimethyl phosphate"	"DTXSID1073319"	"COP(=O)(OC(=C)P(=O)(OC)OC)OC"	"InChI=1S/C6H14O7P2/c1-6(14(7,9-2)10-3)13-15(8,11-4)12-5/h1H2,2-5H3"	"XOKPUBSZNXLEBS-UHFFFAOYSA-N"	"?"
"2734"	"81-95-8"	"7H-Benz[de]anthracen-7-one, 3,3'-thiobis-"	"DTXSID0058859"	"O=C1C2=CC=CC3C2=C(C=CC=3SC2C=CC3=C4C(=CC=CC=24)C(=O)C2C=CC=CC3=2)C2C=CC=CC1=2"	"InChI=1S/C34H18O2S/c35-33-23-9-3-1-7-19(23)21-15-17-29(25-11-5-13-27(33)31(21)25)37-30-18-16-22-20-8-2-4-10-24(20)34(36)28-14-6-12-26(30)32(22)28/h1-18H"	"LCZJUUYGFMLYCS-UHFFFAOYSA-N"	"?"
"2735"	"109-58-0"	"(2-Aminoethyl)carbamic acid"	"DTXSID0059374"	"NCCNC(O)=O"	"InChI=1S/C3H8N2O2/c4-1-2-5-3(6)7/h5H,1-2,4H2,(H,6,7)"	"RLRHPCKWSXWKBG-UHFFFAOYSA-N"	"?"
"2736"	"50708-20-8"			"COC(=O)CC(=CC(=O)OC)OP(=O)(OCC)OCC"	"InChI=1S/C11H19O8P/c1-5-17-20(14,18-6-2)19-9(7-10(12)15-3)8-11(13)16-4/h7H,5-6,8H2,1-4H3"	"YGFYXQXOXCSYJW-UHFFFAOYSA-N"	"?"
"2737"	"2933-59-7"	"Ethanol, 2-(1-naphthalenylamino)-"	"DTXSID0062719"	"OCCNC1=CC=CC2=CC=CC=C21"	"InChI=1S/C12H13NO/c14-9-8-13-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14H,8-9H2"	"HLJIIZLYKMQFSS-UHFFFAOYSA-N"	"?"
"2738"	"50650-75-4"			"Cc1cc(CC(C)CC(C)(C)C)oc(=O)c1"	"InChI=1S/C14H22O2/c1-10-6-12(16-13(15)8-10)7-11(2)9-14(3,4)5/h6,8,11H,7,9H2,1-5H3"	"LMCDKONPVQNISE-UHFFFAOYSA-N"	"?"
"2739"	"110-48-5"	"1-Propanol, 3-isopropoxy-"	"DTXSID10149090"	"CC(C)OCCCO"	"InChI=1S/C6H14O2/c1-6(2)8-5-3-4-7/h6-7H,3-5H2,1-2H3"	"GBSGXZBOFKJGMG-UHFFFAOYSA-N"	"?"
"2740"	"25899-50-7"	"(2Z)-2-Pentenenitrile"	"DTXSID2027884"	"CCC=CC#N"	"InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3"	"ISBHMJZRKAFTGE-UHFFFAOYSA-N"	"?"
"2741"	"1071-17-6"	"Butanenitrile, 4,4'-(dichlorosilylene)bis-"	"DTXSID0061452"	"N#CCCC[Si](Cl)(Cl)CCCC#N"	"InChI=1S/C8H12Cl2N2Si/c9-13(10,7-3-1-5-11)8-4-2-6-12/h1-4,7-8H2"	"CVFGRDOVEFUBES-UHFFFAOYSA-N"	"?"
"2742"	"83-66-9"	"Musk ambrette"	"DTXSID7025689"	"CC1C(=C(OC)C(=CC=1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O"	"InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3"	"SUAUILGSCPYJCS-UHFFFAOYSA-N"	"?"
"2743"	"3001-98-7"	"2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-dimethyl-, 3,9-dioxide"	"DTXSID0062767"	"CP1(=O)OCC2(COP(C)(=O)OC2)CO1"	"InChI=1S/C7H14O6P2/c1-14(8)10-3-7(4-11-14)5-12-15(2,9)13-6-7/h3-6H2,1-2H3"	"ACRCGKKNPOZIPG-UHFFFAOYSA-N"	"?"
"2744"	"3090-45-7"	"5,8-Dihydro-1,4-naphthalenediol"	"DTXSID0062844"	"OC1C=CC(O)=C2CC=CCC=12"	"InChI=1S/C10H10O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-2,5-6,11-12H,3-4H2"	"LZODMDMDIZUSHT-UHFFFAOYSA-N"	"?"
"2745"	"93-25-4"	"Benzeneacetic acid, 2-methoxy-"	"DTXSID0059083"	"COC1C=CC=CC=1CC(O)=O"	"InChI=1S/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)"	"IVEWTCACRDEAOB-UHFFFAOYSA-N"	"?"
"2746"	"78-96-6"	"1-Amino-2-propanol"	"DTXSID9021764"	"CC(O)CN"	"InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3"	"HXKKHQJGJAFBHI-UHFFFAOYSA-N"	"?"
"2747"	"1020-84-4"	"2,2,4,4,6,6,8,8-Octamethylcyclotetrasilazane"	"DTXSID1051511"	"C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N[Si](C)(C)N1"	"InChI=1S/C8H28N4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h9-12H,1-8H3"	"FIADVASZMLCQIF-UHFFFAOYSA-N"	"?"
"2748"	"86-15-7"	"Morpholine, 4-(2,5-dibutoxy-4-nitrophenyl)-"	"DTXSID0058934"	"CCCCOC1C=C(C(=CC=1[N+]([O-])=O)OCCCC)N1CCOCC1"	"InChI=1S/C18H28N2O5/c1-3-5-9-24-17-14-16(20(21)22)18(25-10-6-4-2)13-15(17)19-7-11-23-12-8-19/h13-14H,3-12H2,1-2H3"	"MKVBADWWJFSRRK-UHFFFAOYSA-N"	"?"
"2749"	"769-42-6"	"2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-"	"DTXSID0061115"	"CN1C(=O)CC(=O)N(C)C1=O"	"InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3"	"VVSASNKOFCZVES-UHFFFAOYSA-N"	"?"
"2750"	"532-94-5"	"Glycine, N-benzoyl-, monosodium salt"	"DTXSID0060199"	"OC(=O)CNC(=O)C1C=CC=CC=1"	"InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)"	"QIAFMBKCNZACKA-UHFFFAOYSA-N"	"[Na+]"
"2751"	"1518-58-7"	"Diethylammonium diethyldithiocarbamate"	"DTXSID0061749"	"CCN(CC)C(S)=S"	"InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)"	"LMBWSYZSUOEYSN-UHFFFAOYSA-N"	"N(CC)CC"
"2752"	"14465-96-4"	"Dimatiph"	"DTXSID80162776"	"NP(=S)(N1CC1)N1CC1"	"InChI=1S/C4H10N3PS/c5-8(9,6-1-2-6)7-3-4-7/h1-4H2,(H2,5,9)"	"RXZRAOONKFIKQQ-UHFFFAOYSA-N"	"?"
"2753"	"4636-83-3"			"CC1COCC(C)N1C(=O)C[N+]1C=CC(=CC=1)C1C=C[N+](CC(=O)N2C(C)COCC2C)=CC=1"	"InChI=1S/C26H36N4O4/c1-19-15-33-16-20(2)29(19)25(31)13-27-9-5-23(6-10-27)24-7-11-28(12-8-24)14-26(32)30-21(3)17-34-18-22(30)4/h5-12,19-22H,13-18H2,1-4H3/q+2"	"UBAQQOLXBOKEHR-UHFFFAOYSA-N"	"[Cl-].[Cl-]"
"2754"	"18472-87-2"	"D&C Red 28"	"DTXSID1031090"	"OC(=O)C1=C(C2C3C=C(Br)C(O)=C(Br)C=3OC3=C2C=C(Br)C(O)=C3Br)C(Cl)=C(Cl)C(Cl)=C1Cl"	"InChI=1S/C20H6Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,7,29-30H,(H,31,32)"	"HKTUQAWIWHQYCO-UHFFFAOYSA-N"	"[Na+].[Na+]"
"2755"	"56538-02-4"	"Benzylamine, N-(2-chloroethyl)-2-ethoxy-5-nitro-"	"DTXSID10205100"	"CCOC1C=CC(=CC=1CNCCCl)[N+]([O-])=O"	"InChI=1S/C11H15ClN2O3/c1-2-17-11-4-3-10(14(15)16)7-9(11)8-13-6-5-12/h3-4,7,13H,2,5-6,8H2,1H3"	"VMCCMKJABCHXOV-UHFFFAOYSA-N"	"?"
"2756"	"7765-88-0"			"CNC1=NSC2C=CC=CC=21"	"InChI=1S/C8H8N2S/c1-9-8-6-4-2-3-5-7(6)11-10-8/h2-5H,1H3,(H,9,10)"	"PBOWATRTPOODND-UHFFFAOYSA-N"	"Cl"
"2757"	"625-53-6"	"Ethylthiourea"	"DTXSID0060804"	"CCNC(N)=S"	"InChI=1S/C3H8N2S/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)"	"GMEHFXXZSWDEDB-UHFFFAOYSA-N"	"?"
"2758"	"33499-12-6"			"CC1CCCC2N1C(=O)C(=CN2C(=O)C1C=CC=CC=1)C(=O)OCC"	"InChI=1S/C19H22N2O4/c1-3-25-19(24)15-12-20(17(22)14-9-5-4-6-10-14)16-11-7-8-13(2)21(16)18(15)23/h4-6,9-10,12-13,16H,3,7-8,11H2,1-2H3"	"MVIGYGCVXABNPD-UHFFFAOYSA-N"	"?"
"2759"	"58262-44-5"			"NC1C=C(C=CC=1)N(CCO)CCO"	"InChI=1S/C10H16N2O2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7,11H2"	"MQMMMSDSVNOFJM-UHFFFAOYSA-N"	"OS(=O)(=O)O"
"2760"	"91-98-5"	"Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]-"	"DTXSID0059035"	"CC1C=CC=C(C=1)N(CC1=CC(=CC=C1)S(O)(=O)=O)CC"	"InChI=1S/C16H19NO3S/c1-3-17(15-8-4-6-13(2)10-15)12-14-7-5-9-16(11-14)21(18,19)20/h4-11H,3,12H2,1-2H3,(H,18,19,20)"	"QAHDKLRCWZENIP-UHFFFAOYSA-N"	"?"
"2761"	"3547-04-4"	"Benzene, 1,1'-ethylidenebis(4-chloro-"	"DTXSID1063069"	"CC(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C14H12Cl2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10H,1H3"	"KTEARTXATWOYDB-UHFFFAOYSA-N"	"?"
"2762"	"10143-20-1"			"CC(C)CC(O)CC(CC(C)C)CC(C)C"	"InChI=1S/C15H32O/c1-11(2)7-14(8-12(3)4)10-15(16)9-13(5)6/h11-16H,7-10H2,1-6H3"	"OTFAOIKIARLOEM-UHFFFAOYSA-N"	"?"
"2763"	"621-03-4"	"Acetamide, 2-cyano-N-phenyl-"	"DTXSID0060727"	"N#CCC(=O)NC1C=CC=CC=1"	"InChI=1S/C9H8N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6H2,(H,11,12)"	"XCTQPMCULSZKLT-UHFFFAOYSA-N"	"?"
"2764"	"455-16-3"	"Benzenesulfonyl fluoride, 4-methyl-"	"DTXSID0060014"	"CC1=CC=C(C=C1)S(=O)(=O)F"	"InChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3"	"IZZYABADQVQHLC-UHFFFAOYSA-N"	"?"
"2765"	"403-42-9"	"4'-Fluoroacetophenone"	"DTXSID0059952"	"CC(=O)C1C=CC(F)=CC=1"	"InChI=1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3"	"ZDPAWHACYDRYIW-UHFFFAOYSA-N"	"?"
"2766"	"108-00-9"	"1,2-Ethanediamine, N,N-dimethyl-"	"DTXSID7059357"	"CN(C)CCN"	"InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3"	"DILRJUIACXKSQE-UHFFFAOYSA-N"	"?"
"2767"	"2415-87-4"	"Butanamide, N-(3-chlorophenyl)-3-oxo-"	"DTXSID0062395"	"CC(=O)CC(=O)NC1C=C(Cl)C=CC=1"	"InChI=1S/C10H10ClNO2/c1-7(13)5-10(14)12-9-4-2-3-8(11)6-9/h2-4,6H,5H2,1H3,(H,12,14)"	"MTPKMGABYQNMMG-UHFFFAOYSA-N"	"?"
"2768"	"70081-94-6"			"CC(N=NCCC1CCCCC1)C(O)=O"	"InChI=1S/C11H20N2O2/c1-9(11(14)15)13-12-8-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,14,15)"	"MWHWZYQINNKTTE-UHFFFAOYSA-N"	"?"
"2769"	"99-56-9"	"4-Nitro-1,2-phenylenediamine"	"DTXSID9020958"	"NC1C=C(C=CC=1N)[N+]([O-])=O"	"InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2"	"RAUWPNXIALNKQM-UHFFFAOYSA-N"	"?"
"2770"	"22683-30-3"			"NCCOCNC1C=CC=CC=1"	"InChI=1S/C9H14N2O/c10-6-7-12-8-11-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2"	"KQNZSZNDAMAKFF-UHFFFAOYSA-N"	"?"
"2771"	"1503-53-3"	"2-(Acetyloxy)-5-bromobenzoic acid"	"DTXSID1074541"	"CC(=O)OC1=CC=C(Br)C=C1C(O)=O"	"InChI=1S/C9H7BrO4/c1-5(11)14-8-3-2-6(10)4-7(8)9(12)13/h2-4H,1H3,(H,12,13)"	"VRJBEVQGJOSGOX-UHFFFAOYSA-N"	"?"
"2772"	"59010-86-5"	"Diphenprofos"	"DTXSID2041888"	"CCCSP(=O)(OC1C=CC(=CC=1)SC1C=CC(Cl)=CC=1)OCC"	"InChI=1S/C17H20ClO3PS2/c1-3-13-23-22(19,20-4-2)21-15-7-11-17(12-8-15)24-16-9-5-14(18)6-10-16/h5-12H,3-4,13H2,1-2H3"	"IQEADSTVCRSHDL-UHFFFAOYSA-N"	"?"
"2773"	"1190-93-8"	"Acetic acid, (acetylthio)-"	"DTXSID0061587"	"CC(=O)SCC(O)=O"	"InChI=1S/C4H6O3S/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7)"	"QSBWDKUBOZHGOU-UHFFFAOYSA-N"	"?"
"2774"	"531-91-9"	"[1,1'-Biphenyl]-4,4'-diamine, N,N'-diphenyl-"	"DTXSID0060197"	"C1=CC(=CC=C1NC1C=CC=CC=1)C1C=CC(=CC=1)NC1C=CC=CC=1"	"InChI=1S/C24H20N2/c1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22/h1-18,25-26H"	"FDRNXKXKFNHNCA-UHFFFAOYSA-N"	"?"
"2775"	"4186-17-8"	"ENT 27152"	"DTXSID40194654"	"CC(CSP(=O)(OCC)OCC)(SCC)SCC"	"InChI=1S/C11H25O3PS3/c1-6-13-15(12,14-7-2)18-10-11(5,16-8-3)17-9-4/h6-10H2,1-5H3"	"RGZRQKNOUFRJLF-UHFFFAOYSA-N"	"?"
"2776"	"594-44-5"	"Ethanesulfonyl chloride"	"DTXSID0060486"	"CCS(=O)(=O)Cl"	"InChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3"	"FRYHCSODNHYDPU-UHFFFAOYSA-N"	"?"
"2777"	"92-16-0"	"Benzenepropanamide, N-(2-methoxyphenyl)-.beta.-oxo-"	"DTXSID9059042"	"COC1C=CC=CC=1NC(=O)CC(=O)C1C=CC=CC=1"	"InChI=1S/C16H15NO3/c1-20-15-10-6-5-9-13(15)17-16(19)11-14(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)"	"FTYSHTGKLFLKRX-UHFFFAOYSA-N"	"?"
"2778"	"63867-10-7"	"Butyric acid, 2-chloro-2-ethyl-, trichloroethyl ester"	"DTXSID80213297"	"CCC(Cl)(CC)C(=O)OCC(Cl)(Cl)Cl"	"InChI=1S/C8H12Cl4O2/c1-3-7(9,4-2)6(13)14-5-8(10,11)12/h3-5H2,1-2H3"	"VCWJEHDQXIPHQM-UHFFFAOYSA-N"	"?"
"2779"	"771-56-2"	"Pentafluoromethylbenzene"	"DTXSID0061119"	"CC1C(F)=C(F)C(F)=C(F)C=1F"	"InChI=1S/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3"	"SXPRVMIZFRCAGC-UHFFFAOYSA-N"	"?"
"2780"	"1122-83-4"	"Benzenamine, N-sulfinyl-"	"DTXSID0061533"	"O=S=NC1C=CC=CC=1"	"InChI=1S/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H"	"FIOJWGRGPONADF-UHFFFAOYSA-N"	"?"
"2781"	"87-41-2"	"Phthalide"	"DTXSID0052594"	"O=C1OCC2=CC=CC=C21"	"InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2"	"WNZQDUSMALZDQF-UHFFFAOYSA-N"	"?"
"2782"	"2882-22-6"	"Pyrazine, 2-methoxy-5-methyl-"	"DTXSID0062684"	"CC1=CN=C(C=N1)OC"	"InChI=1S/C6H8N2O/c1-5-3-8-6(9-2)4-7-5/h3-4H,1-2H3"	"OHQNWZNVCSEVEQ-UHFFFAOYSA-N"	"?"
"2783"	"3140-73-6"	"2-Chloro-4,6-dimethoxy-1,3,5-triazine"	"DTXSID60185322"	"COC1N=C(Cl)N=C(N=1)OC"	"InChI=1S/C5H6ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3"	"GPIQOFWTZXXOOV-UHFFFAOYSA-N"	"?"
"2784"	"2359-09-3"	"5-tert-Butylisophthalic acid"	"DTXSID0062345"	"CC(C)(C)C1C=C(C=C(C=1)C(O)=O)C(O)=O"	"InChI=1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)"	"BJLUCDZIWWSFIB-UHFFFAOYSA-N"	"?"
"2785"	"104757-53-1"	"Barnidipine hydrochloride"	"DTXSID8048654"	"COC(=O)C1C(C(C(=O)OC2CN(CC3C=CC=CC=3)CC2)=C(C)NC=1C)C1=CC(=CC=C1)[N+]([O-])=O"	"InChI=1S/C27H29N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3"	"VXMOONUMYLCFJD-UHFFFAOYSA-N"	"Cl"
"2786"	"10311-84-9"	"Dialifor"	"DTXSID0037522"	"CCOP(=S)(OCC)SC(CCl)N1C(=O)C2C=CC=CC=2C1=O"	"InChI=1S/C14H17ClNO4PS2/c1-3-19-21(22,20-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3"	"MUMQYXACQUZOFP-UHFFFAOYSA-N"	"?"
"2787"	"1620-68-4"	"Phenol, 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-"	"DTXSID0061824"	"CC1C=C(CC2C=C(C)C=CC=2O)C(O)=C(CC2C=C(C)C=CC=2O)C=1"	"InChI=1S/C23H24O3/c1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25/h4-11,24-26H,12-13H2,1-3H3"	"MAQOZOILPAMFSW-UHFFFAOYSA-N"	"?"
"2788"	"430-50-2"			"CC(O)CF"	"InChI=1S/C3H7FO/c1-3(5)2-4/h3,5H,2H2,1H3"	"WPUWNCWLDZMYSC-UHFFFAOYSA-N"	"?"
"2789"	"354-87-0"	"Ethanesulfonyl fluoride, pentafluoro-"	"DTXSID0059873"	"O=S(=O)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C2F6O2S/c3-1(4,5)2(6,7)11(8,9)10"	"JUZCVRZJGRPWJZ-UHFFFAOYSA-N"	"?"
"2790"	"21921-96-0"	"Monoethyl propylphosphonate"	"DTXSID5042166"	"CCOP(O)(=O)CCC"	"InChI=1S/C5H13O3P/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3,(H,6,7)"	"FJDJZPWIPLUDIZ-UHFFFAOYSA-N"	"?"
"2791"	"1871-76-7"	"2,2-Diphenylacetyl chloride"	"DTXSID30171979"	"O=C(Cl)C(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C14H11ClO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H"	"MSYLETHDEIJMAF-UHFFFAOYSA-N"	"?"
"2792"	"104-36-9"	"Benzene, 1,4-dibutoxy-"	"DTXSID0059295"	"CCCCOC1C=CC(=CC=1)OCCCC"	"InChI=1S/C14H22O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3"	"ZROGCHDPRZRKTI-UHFFFAOYSA-N"	"?"
"2793"	"10433-59-7"	"2,4-DB-sodium"	"DTXSID5041356"	"OC(=O)CCCOC1=CC=C(Cl)C=C1Cl"	"InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)"	"YIVXMZJTEQBPQO-UHFFFAOYSA-N"	"[Na+]"
"2794"	"728-88-1"	"Tolperisone"	"DTXSID8023686"	"CC1C=CC(=CC=1)C(=O)C(C)CN1CCCCC1"	"InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3"	"FSKFPVLPFLJRQB-UHFFFAOYSA-N"	"?"
"2795"	"31868-18-5"	"Mexazolam"	"DTXSID9057715"	"CC1COC2(C3=CC(Cl)=CC=C3NC(=O)CN21)C1=CC=CC=C1Cl"	"InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)"	"ANUCDXCTICZJRH-UHFFFAOYSA-N"	"?"
"2796"	"89845-17-0"			"CCOC(=O)NC1C=CC=C2C(CN(C)CC=12)C1C=CC(Cl)=CC=1"	"InChI=1S/C19H21ClN2O2/c1-3-24-19(23)21-18-6-4-5-15-16(11-22(2)12-17(15)18)13-7-9-14(20)10-8-13/h4-10,16H,3,11-12H2,1-2H3,(H,21,23)"	"FPTRJSPPLNSVIB-UHFFFAOYSA-N"	"Cl"
"2797"	"5001-99-0"	"4-Biphenylacetic acid, 2'-fluoro-"	"DTXSID90198187"	"OC(=O)CC1C=CC(=CC=1)C1C=CC=CC=1F"	"InChI=1S/C14H11FO2/c15-13-4-2-1-3-12(13)11-7-5-10(6-8-11)9-14(16)17/h1-8H,9H2,(H,16,17)"	"HSOKOZJRZALFLQ-UHFFFAOYSA-N"	"?"
"2798"	"18466-11-0"			"COP(C)(=S)SCSC1C=CC(Cl)=CC=1"	"InChI=1S/C9H12ClOPS3/c1-11-12(2,13)15-7-14-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3"	"LDDXKEFYDGMFAI-UHFFFAOYSA-N"	"?"
"2799"	"3964-18-9"	"Butane, 2,3-dimethyl-2,3-dinitro-"	"DTXSID4063248"	"CC(C)([N+]([O-])=O)C(C)(C)[N+]([O-])=O"	"InChI=1S/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3"	"DWCLXOREGBLXTD-UHFFFAOYSA-N"	"?"
"2800"	"86-98-6"	"4,7-Dichloroquinoline"	"DTXSID0052590"	"ClC1C=C2N=CC=C(Cl)C2=CC=1"	"InChI=1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H"	"HXEWMTXDBOQQKO-UHFFFAOYSA-N"	"?"
"2801"	"130-59-6"	"Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid, 8-nitro-"	"DTXSID0059613"	"[O-][N+](=O)C1C=C2C3N=NOC=3C=C(C2=CC=1)S(O)(=O)=O"	"InChI=1S/C10H5N3O6S/c14-13(15)5-1-2-6-7(3-5)10-8(19-12-11-10)4-9(6)20(16,17)18/h1-4H,(H,16,17,18)"	"SQHJNWIFJGDCQA-UHFFFAOYSA-N"	"?"
"2802"	"89198-09-4"	"Imazodan hydrochloride"	"DTXSID40237570"	"O=C1CCC(N=N1)C1C=CC(=CC=1)N1C=NC=C1"	"InChI=1S/C13H12N4O/c18-13-6-5-12(15-16-13)10-1-3-11(4-2-10)17-8-7-14-9-17/h1-4,7-9,12H,5-6H2"	"JIAAKTHUHIUEIT-UHFFFAOYSA-N"	"Cl"
"2803"	"119-79-9"	"2-Naphthalenesulfonic acid, 5-amino-"	"DTXSID6059497"	"NC1=CC=CC2=CC(=CC=C21)S(O)(=O)=O"	"InChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)"	"UWPJYQYRSWYIGZ-UHFFFAOYSA-N"	"?"
"2804"	"64037-24-7"	"Benzoxazole, 5-chloro-2-methylamino-"	"DTXSID60214045"	"CNC1=NC2C=C(Cl)C=CC=2O1"	"InChI=1S/C8H7ClN2O/c1-10-8-11-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3,(H,10,11)"	"JCDFYLCJMXKBNO-UHFFFAOYSA-N"	"?"
"2805"	"929-06-6"	"2-(2-Aminoethoxy)ethanol"	"DTXSID6027341"	"NCCOCCO"	"InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2"	"GIAFURWZWWWBQT-UHFFFAOYSA-N"	"?"
"2806"	"920-37-6"	"2-Chloroacrylonitrile"	"DTXSID6052613"	"C=C(Cl)C#N"	"InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2"	"OYUNTGBISCIYPW-UHFFFAOYSA-N"	"?"
"2807"	"3321-86-6"	"9(10H)-Anthracenone, 10,10'-(1,2-ethenediylidene)bis-"	"DTXSID0062977"	"O=C1C2=CC=CC=C2C(=C=C=C2C3=CC=CC=C3C(=O)C3C=CC=CC=32)C2C=CC=CC1=2"	"InChI=1S/C30H16O2/c31-29-25-13-5-1-9-19(25)23(20-10-2-6-14-26(20)29)17-18-24-21-11-3-7-15-27(21)30(32)28-16-8-4-12-22(24)28/h1-16H"	"DATXULQQDBTIRC-UHFFFAOYSA-N"	"?"
"2808"	"110690-43-2"	"Emitefur"	"DTXSID80149360"	"CCOCN1C=C(F)C(=O)N(C(=O)C2=CC(=CC=C2)C(=O)OC2=NC(=CC=C2C#N)OC(=O)C2C=CC=CC=2)C1=O"	"InChI=1S/C28H19FN4O8/c1-2-39-16-32-15-21(29)25(35)33(28(32)38)24(34)18-9-6-10-19(13-18)27(37)41-23-20(14-30)11-12-22(31-23)40-26(36)17-7-4-3-5-8-17/h3-13,15H,2,16H2,1H3"	"WTSKMKRYHATLLL-UHFFFAOYSA-N"	"?"
"2809"	"63887-50-3"	"Benzamide, o-allyloxy-N-cyclohexyl-"	"DTXSID70213509"	"C=CCOC1=CC=CC=C1C(=O)NC1CCCCC1"	"InChI=1S/C16H21NO2/c1-2-12-19-15-11-7-6-10-14(15)16(18)17-13-8-4-3-5-9-13/h2,6-7,10-11,13H,1,3-5,8-9,12H2,(H,17,18)"	"UYODDCKMZFCTPB-UHFFFAOYSA-N"	"?"
"2810"	"33693-04-8"	"Terbumeton"	"DTXSID1042445"	"CCNC1N=C(NC(C)(C)C)N=C(N=1)OC"	"InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)"	"BCQMBFHBDZVHKU-UHFFFAOYSA-N"	"?"
"2811"	"574-66-3"	"Methanone, diphenyl-, oxime"	"DTXSID0060355"	"O=NC(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C13H11NO/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H"	"HFIJNEVWEHTIIL-UHFFFAOYSA-N"	"?"
"2812"	"594-72-9"	"1,1-Dichloro-1-nitroethane"	"DTXSID4021638"	"CC(Cl)(Cl)[N+]([O-])=O"	"InChI=1S/C2H3Cl2NO2/c1-2(3,4)5(6)7/h1H3"	"OQOGEOLRYAOSKO-UHFFFAOYSA-N"	"?"
"2813"	"927-58-2"	"Butanoyl chloride, 4-bromo-"	"DTXSID0061296"	"O=C(Cl)CCCBr"	"InChI=1S/C4H6BrClO/c5-3-1-2-4(6)7/h1-3H2"	"LRTRXDSAJLSRTG-UHFFFAOYSA-N"	"?"
"2814"	"2984-64-7"			"CCP(=S)(OCC)SC1C=CC(Cl)=CC=1"	"InChI=1S/C10H14ClOPS2/c1-3-12-13(14,4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3"	"ABDPTAUFTLYLPR-UHFFFAOYSA-N"	"?"
"2815"	"37661-08-8"	"Bacampicillin hydrochloride"	"DTXSID0045466"	"CC(OC(=O)OCC)OC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)C1=CC=CC=C1)C2=O"	"InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)"	"PFOLLRNADZZWEX-UHFFFAOYSA-N"	"Cl"
"2816"	"121-93-7"	"Ethanol, 2,2'-[(1-methylethyl)imino]bis-"	"DTXSID0059534"	"CC(C)N(CCO)CCO"	"InChI=1S/C7H17NO2/c1-7(2)8(3-5-9)4-6-10/h7,9-10H,3-6H2,1-2H3"	"HHRGNKUNRVABBN-UHFFFAOYSA-N"	"?"
"2817"	"482-05-3"	"[1,1'-Biphenyl]-2,2'-dicarboxylic acid"	"DTXSID0060064"	"OC(=O)C1=CC=CC=C1C1=CC=CC=C1C(O)=O"	"InChI=1S/C14H10O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H,(H,15,16)(H,17,18)"	"GWZCCUDJHOGOSO-UHFFFAOYSA-N"	"?"
"2818"	"2538-85-4"	"1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-, monosodium salt"	"DTXSID0062503"	"OS(=O)(=O)C1=CC(O)=C(N=NC2C3=CC=CC=C3C=CC=2O)C2=CC=CC=C21"	"InChI=1S/C20H14N2O5S/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27/h1-11,23-24H,(H,25,26,27)"	"ZMLWOOMWRCRLCH-UHFFFAOYSA-N"	"[Na+]"
"2819"	"628-41-1"	"1,4-Cyclohexadiene"	"DTXSID0060854"	"C1C=CCC=C1"	"InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2"	"UVJHQYIOXKWHFD-UHFFFAOYSA-N"	"?"
"2820"	"1123-54-2"	"1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine"	"DTXSID0061537"	"NC1N=CN=C2N=NNC2=1"	"InChI=1S/C4H4N6/c5-3-2-4(7-1-6-3)9-10-8-2/h1H,(H3,5,6,7,8,9,10)"	"HRYKDUPGBWLLHO-UHFFFAOYSA-N"	"?"
"2821"	"624-04-4"	"Dodecanoic acid, 1,2-ethanediyl ester"	"DTXSID0060779"	"CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC"	"InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-25(27)29-23-24-30-26(28)22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3"	"ZVUNTIMPQCQCAQ-UHFFFAOYSA-N"	"?"
"2822"	"64622-45-3"	"Ibuprofen piconol"	"DTXSID7023140"	"CC(C)CC1C=CC(=CC=1)C(C)C(=O)OCC1C=CC=CN=1"	"InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3"	"ACEWLPOYLGNNHV-UHFFFAOYSA-N"	"?"
"2823"	"23950-58-5"	"Propyzamide"	"DTXSID2020420"	"CC(C)(C#C)NC(=O)C1C=C(Cl)C=C(Cl)C=1"	"InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)"	"PHNUZKMIPFFYSO-UHFFFAOYSA-N"	"?"
"2824"	"132-89-8"			"O=C1NC(CCCl)OC2C=CC=CC=21"	"InChI=1S/C10H10ClNO2/c11-6-5-9-12-10(13)7-3-1-2-4-8(7)14-9/h1-4,9H,5-6H2,(H,12,13)"	"YEKMWXFHPZBZLR-UHFFFAOYSA-N"	"?"
"2825"	"609-38-1"	"2-Furancarboxamide"	"DTXSID0060569"	"NC(=O)C1=CC=CO1"	"InChI=1S/C5H5NO2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)"	"TVFIYRKPCACCNL-UHFFFAOYSA-N"	"?"
"2826"	"947-02-4"	"Phosfolan"	"DTXSID1042285"	"CCOP(=O)(N=C1SCCS1)OCC"	"InChI=1S/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3"	"ILBONRFSLATCRE-UHFFFAOYSA-N"	"?"
"2827"	"105-79-3"	"Hexanoic acid, 2-methylpropyl ester"	"DTXSID0059322"	"CCCCCC(=O)OCC(C)C"	"InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3"	"UXUPPWPIGVTVQI-UHFFFAOYSA-N"	"?"
"2828"	"5915-41-3"	"Terbuthylazine"	"DTXSID4027608"	"CCNC1N=C(Cl)N=C(NC(C)(C)C)N=1"	"InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)"	"FZXISNSWEXTPMF-UHFFFAOYSA-N"	"?"
"2829"	"64058-93-1"	"Acetamide, N-(5,6,7,8-tetrahydrocarbazol-1-yl)-"	"DTXSID40214240"	"CC(=O)NC1=CC=CC2=C1NC1CCCCC=12"	"InChI=1S/C14H16N2O/c1-9(17)15-13-8-4-6-11-10-5-2-3-7-12(10)16-14(11)13/h4,6,8,16H,2-3,5,7H2,1H3,(H,15,17)"	"IXJJJWNBDDIUGM-UHFFFAOYSA-N"	"?"
"2830"	"625-33-2"	"3-Penten-2-one"	"DTXSID0060800"	"CC=CC(C)=O"	"InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3"	"LABTWGUMFABVFG-UHFFFAOYSA-N"	"?"
"2831"	"819-52-3"	"Chlorosulfuric acid, propyl ester"	"DTXSID0061163"	"CCCOS(=O)(=O)Cl"	"InChI=1S/C3H7ClO3S/c1-2-3-7-8(4,5)6/h2-3H2,1H3"	"BUSLFAYJGWMERD-UHFFFAOYSA-N"	"?"
"2832"	"2918-80-1"	"Benzenesulfonic acid, 3-[(2,4-dihydroxyphenyl)azo]-4-hydroxy-"	"DTXSID0062711"	"OC1C=C(O)C=CC=1N=NC1=CC(=CC=C1O)S(O)(=O)=O"	"InChI=1S/C12H10N2O6S/c15-7-1-3-9(12(17)5-7)13-14-10-6-8(21(18,19)20)2-4-11(10)16/h1-6,15-17H,(H,18,19,20)"	"NOYGQBBPVKLDQU-UHFFFAOYSA-N"	"?"
"2833"	"4394-04-1"	"Metanixin"	"DTXSID3045693"	"CC1C=CC=C(C)C=1NC1=NC=CC=C1C(O)=O"	"InChI=1S/C14H14N2O2/c1-9-5-3-6-10(2)12(9)16-13-11(14(17)18)7-4-8-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18)"	"HUIJQYKRBFBVAO-UHFFFAOYSA-N"	"?"
"2834"	"578-54-1"	"2-Ethylaniline"	"DTXSID0042242"	"CCC1C=CC=CC=1N"	"InChI=1S/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3"	"MLPVBIWIRCKMJV-UHFFFAOYSA-N"	"?"
"2835"	"109-49-9"	"5-Hexen-2-one"	"DTXSID0059372"	"CC(=O)CCC=C"	"InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3"	"RNDVGJZUHCKENF-UHFFFAOYSA-N"	"?"
"2836"	"5114-37-4"			"CC1C=CC(=CC=1)SP(=S)(CCl)OC(C)C"	"InChI=1S/C11H16ClOPS2/c1-9(2)13-14(15,8-12)16-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3"	"BFPLZFFHPDTDIC-UHFFFAOYSA-N"	"?"
"2837"	"1953-89-5"	"Benzamide, 2,6-dichloro-N-(hydroxymethyl)thio-"	"DTXSID60173188"	"OCNC(=S)C1C(Cl)=CC=CC=1Cl"	"InChI=1S/C8H7Cl2NOS/c9-5-2-1-3-6(10)7(5)8(13)11-4-12/h1-3,12H,4H2,(H,11,13)"	"XRONASRTKCDKMP-UHFFFAOYSA-N"	"?"
"2838"	"73384-60-8"	"Sulmazole"	"DTXSID1040617"	"CS(=O)C1=CC(OC)=C(C=C1)C1NC2C=CC=NC=2N=1"	"InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)"	"XMFCOYRWYYXZMY-UHFFFAOYSA-N"	"?"
"2839"	"117-43-1"	"1,6-Naphthalenedisulfonic acid, 8-hydroxy-"	"DTXSID0059455"	"OC1C=C(C=C2C=CC=C(C=12)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C10H8O7S2/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)"	"XQAFHGXXHIZSGZ-UHFFFAOYSA-N"	"?"
"2840"	"111-51-3"	"1,4-Butanediamine, N,N,N',N'-tetramethyl-"	"DTXSID0059403"	"CN(C)CCCCN(C)C"	"InChI=1S/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3"	"VEAZEPMQWHPHAG-UHFFFAOYSA-N"	"?"
"2841"	"2097-19-0"	"Phenylsilatrane"	"DTXSID1062176"	"C1CO[Si]2(OCCN1CCO2)C1C=CC=CC=1"	"InChI=1S/C12H17NO3Si/c1-2-4-12(5-3-1)17-14-9-6-13(7-10-15-17)8-11-16-17/h1-5H,6-11H2"	"IJOIPPSHQCEBDH-UHFFFAOYSA-N"	"?"
"2842"	"307-60-8"	"Dodecane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-12-iodo-"	"DTXSID0059796"	"FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I"	"InChI=1S/C12F25I/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38"	"WBYCUETVRCXUPE-UHFFFAOYSA-N"	"?"
"2843"	"75-29-6"	"2-Chloropropane"	"DTXSID6047739"	"CC(C)Cl"	"InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3"	"ULYZAYCEDJDHCC-UHFFFAOYSA-N"	"?"
"2844"	"1901-26-4"	"3-Buten-2-one, 3-methyl-4-phenyl-"	"DTXSID0062050"	"CC(=CC1C=CC=CC=1)C(C)=O"	"InChI=1S/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3"	"BQJFBHBDOAIIGS-UHFFFAOYSA-N"	"?"
"2845"	"66637-26-1"			"CNC(=O)ON=C1SC(C)C(=O)NC1(C)C"	"InChI=1S/C9H15N3O3S/c1-5-6(13)11-9(2,3)7(16-5)12-15-8(14)10-4/h5H,1-4H3,(H,10,14)(H,11,13)"	"HCATVRLRURSXDN-UHFFFAOYSA-N"	"?"
"2846"	"67845-93-6"	"Hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate"	"DTXSID0052382"	"CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C"	"InChI=1S/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h23-24,32H,8-22H2,1-7H3"	"NZYMWGXNIUZYRC-UHFFFAOYSA-N"	"?"
"2847"	"156-28-5"	"Benzeneethanamine, hydrochloride"	"DTXSID0059744"	"NCCC1C=CC=CC=1"	"InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2"	"BHHGXPLMPWCGHP-UHFFFAOYSA-N"	"Cl"
"2848"	"927-18-4"	"1,3-Propanediol, 2-(octadecyloxy)-"	"DTXSID0061294"	"CCCCCCCCCCCCCCCCCCOC(CO)CO"	"InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21(19-22)20-23/h21-23H,2-20H2,1H3"	"YGDQPIRPQXPCJT-UHFFFAOYSA-N"	"?"
"2849"	"2813-95-8"	"Dinoseb acetate"	"DTXSID3074816"	"CC(=O)OC1C(=CC(=CC=1C(C)CC)[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3"	"RDJTWDKSYLLHRW-UHFFFAOYSA-N"	"?"
"2850"	"123-30-8"	"4-Aminophenol"	"DTXSID3024499"	"NC1=CC=C(O)C=C1"	"InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2"	"PLIKAWJENQZMHA-UHFFFAOYSA-N"	"?"
"2851"	"128-88-1"	"9,10-Anthracenedione, 1,1'-iminobis[4-nitro-"	"DTXSID0059586"	"[O-][N+](=O)C1C=CC(NC2=CC=C(C3=C2C(=O)C2=CC=CC=C2C3=O)[N+]([O-])=O)=C2C=1C(=O)C1C=CC=CC=1C2=O"	"InChI=1S/C28H13N3O8/c32-25-13-5-1-3-7-15(13)27(34)23-19(30(36)37)11-9-17(21(23)25)29-18-10-12-20(31(38)39)24-22(18)26(33)14-6-2-4-8-16(14)28(24)35/h1-12,29H"	"NCGPNEIWMXIRRC-UHFFFAOYSA-N"	"?"
"2852"	"2774-84-7"	"10-Undecyn-1-ol"	"DTXSID0062638"	"C#CCCCCCCCCCO"	"InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,12H,3-11H2"	"YUQZOUNRPZBQJK-UHFFFAOYSA-N"	"?"
"2853"	"677-67-8"	"Acetyl fluoride, difluoro(fluorosulfonyl)-"	"DTXSID0060981"	"O=C(F)C(F)(F)S(=O)(=O)F"	"InChI=1S/C2F4O3S/c3-1(7)2(4,5)10(6,8)9"	"YIHXQSQQJBEAKK-UHFFFAOYSA-N"	"?"
"2854"	"2764-13-8"	"2-Hydroxyethyl dimethyl 3-stearamidopropyl ammonium nitrate"	"DTXSID0062632"	"CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO"	"InChI=1S/C25H52N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)26-21-19-22-27(2,3)23-24-28/h28H,4-24H2,1-3H3/p+1"	"WYRIQSJBDPBLDQ-UHFFFAOYSA-O"	"[N+]([O-])(=O)[O-]"
"2855"	"101692-44-8"			"CCOC1C=CC(=CC=1)C1CC(C2=CC=CC=C21)N(CC)CC"	"InChI=1S/C21H27NO/c1-4-22(5-2)21-15-20(18-9-7-8-10-19(18)21)16-11-13-17(14-12-16)23-6-3/h7-14,20-21H,4-6,15H2,1-3H3"	"QONIRWAVPNWJBQ-UHFFFAOYSA-N"	"C(C(=O)O)C(CC(=O)O)(C(=O)O)O"
"2856"	"28998-47-2"			"NC1C=C2C(CCC2=CC=1C1CCCCC1)C(O)=O"	"InChI=1S/C16H21NO2/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12H,1-7,17H2,(H,18,19)"	"VUDHKNQACVHAKK-UHFFFAOYSA-N"	"?"
"2857"	"573-26-2"	"Acetamide, N-methyl-N-(2-methylphenyl)-"	"DTXSID0060353"	"CC1C=CC=CC=1N(C)C(C)=O"	"InChI=1S/C10H13NO/c1-8-6-4-5-7-10(8)11(3)9(2)12/h4-7H,1-3H3"	"QKIDBCKIVIQWLL-UHFFFAOYSA-N"	"?"
"2858"	"17003-79-1"	"Ethane, 1,1'-[methylenebis(oxy)]bis[2-fluoro-2,2-dinitro-"	"DTXSID7066142"	"[O-][N+](=O)C(F)(COCOCC(F)([N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C5H6F2N4O10/c6-4(8(12)13,9(14)15)1-20-3-21-2-5(7,10(16)17)11(18)19/h1-3H2"	"WSZPRLKJOJINEP-UHFFFAOYSA-N"	"?"
"2859"	"27344-41-8"	"Disodium 4,4'-bis(2-sulfostyryl)biphenyl"	"DTXSID6036467"	"OS(=O)(=O)C1=CC=CC=C1C=CC1C=CC(=CC=1)C1C=CC(C=CC2=CC=CC=C2S(O)(=O)=O)=CC=1"	"InChI=1S/C28H22O6S2/c29-35(30,31)27-7-3-1-5-25(27)19-13-21-9-15-23(16-10-21)24-17-11-22(12-18-24)14-20-26-6-2-4-8-28(26)36(32,33)34/h1-20H,(H,29,30,31)(H,32,33,34)"	"SQAKQVFOMMLRPR-UHFFFAOYSA-N"	"[Na+].[Na+]"
"2860"	"87-22-9"	"Phenethyl salicylate"	"DTXSID0052592"	"OC1C=CC=CC=1C(=O)OCCC1C=CC=CC=1"	"InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2"	"YNMSDIQQNIRGDP-UHFFFAOYSA-N"	"?"
"2861"	"182-01-4"	"7,8,15,16,23,24-Hexaoxatrispiro[5.2.5.2.5.2]tetracosane"	"DTXSID0059748"	"C1CCCCC21OOC1(CCCCC1)OOC1(CCCCC1)OO2"	"InChI=1S/C18H30O6/c1-4-10-16(11-5-1)19-21-17(12-6-2-7-13-17)23-24-18(22-20-16)14-8-3-9-15-18/h1-15H2"	"JRYHDZOSVUAAJC-UHFFFAOYSA-N"	"?"
"2862"	"3318-61-4"	"2,4-Pentanedione, 1-phenyl-"	"DTXSID0062973"	"CC(=O)CC(=O)CC1C=CC=CC=1"	"InChI=1S/C11H12O2/c1-9(12)7-11(13)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3"	"NROOHYGFTHTDFF-UHFFFAOYSA-N"	"?"
"2863"	"544-47-8"	"Carbamimidothioic acid, (4-chlorophenyl)methyl ester, monohydrochloride"	"DTXSID0060270"	"NC(=N)SCC1C=CC(Cl)=CC=1"	"InChI=1S/C8H9ClN2S/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)"	"YOCWIHYZDHPSHD-UHFFFAOYSA-N"	"Cl"
"2864"	"91574-89-9"			"CN1CCC2C=CC(=CC=2C2=C(O)C(=CC=C2CC1CCC1C=CC=CC=1)OC)OC"	"InChI=1S/C27H31NO3/c1-28-16-15-20-10-13-23(30-2)18-24(20)26-21(11-14-25(31-3)27(26)29)17-22(28)12-9-19-7-5-4-6-8-19/h4-8,10-11,13-14,18,22,29H,9,12,15-17H2,1-3H3"	"IORHSKBXWWSQME-UHFFFAOYSA-N"	"Cl"
"2865"	"1829-40-9"	"Disiloxane, hexaphenyl-"	"DTXSID0062006"	"C1=CC=CC=C1[Si](O[Si](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C36H30OSi2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H"	"IVZTVZJLMIHPEY-UHFFFAOYSA-N"	"?"
"2866"	"3581-91-7"	"4,5-Dimethylthiazole"	"DTXSID40189348"	"CC1SC=NC=1C"	"InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3"	"UWSONZCNXUSTKW-UHFFFAOYSA-N"	"?"
"2867"	"454-31-9"	"Acetic acid, difluoro-, ethyl ester"	"DTXSID0060010"	"CCOC(=O)C(F)F"	"InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3"	"GZKHDVAKKLTJPO-UHFFFAOYSA-N"	"?"
"2868"	"2216-16-2"	"Benzenamine, N,N-diethyl-3-nitro-"	"DTXSID0062260"	"CCN(CC)C1=CC(=CC=C1)[N+]([O-])=O"	"InChI=1S/C10H14N2O2/c1-3-11(4-2)9-6-5-7-10(8-9)12(13)14/h5-8H,3-4H2,1-2H3"	"QSNHMSRICSDACJ-UHFFFAOYSA-N"	"?"
"2869"	"6596-74-3"	"Acetic acid, 2-(4-aminophenyl)hydrazide"	"DTXSID0064414"	"CC(=O)NNC1C=CC(N)=CC=1"	"InChI=1S/C8H11N3O/c1-6(12)10-11-8-4-2-7(9)3-5-8/h2-5,11H,9H2,1H3,(H,10,12)"	"NWKVUHRVKAWGMO-UHFFFAOYSA-N"	"?"
"2870"	"628-73-9"	"Hexanenitrile"	"DTXSID0060858"	"CCCCCC#N"	"InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3"	"AILKHAQXUAOOFU-UHFFFAOYSA-N"	"?"
"2871"	"25237-06-3"			"ClC(Cl)C(Cl)C(Cl)C(Cl)Cl"	"InChI=1S/C4H4Cl6/c5-1(3(7)8)2(6)4(9)10/h1-4H"	"SFLXALQSXXPXLU-UHFFFAOYSA-N"	"?"
"2872"	"741-58-2"	"Bensulide"	"DTXSID9032329"	"CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1C=CC=CC=1"	"InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3"	"RRNIZKPFKNDSRS-UHFFFAOYSA-N"	"?"
"2873"	"121-68-6"	"Benzenecarbodithioic acid"	"DTXSID0059532"	"SC(=S)C1C=CC=CC=1"	"InChI=1S/C7H6S2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)"	"ZGRWZUDBZZBJQB-UHFFFAOYSA-N"	"?"
"2874"	"91-64-5"	"Coumarin"	"DTXSID7020348"	"O=C1C=CC2C=CC=CC=2O1"	"InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H"	"ZYGHJZDHTFUPRJ-UHFFFAOYSA-N"	"?"
"2875"	"122-70-3"	"2-Phenylethyl propionate"	"DTXSID6035156"	"CCC(=O)OCCC1C=CC=CC=1"	"InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3"	"HVGZQCSMLUDISR-UHFFFAOYSA-N"	"?"
"2876"	"628-96-6"	"Ethylene glycol dinitrate"	"DTXSID6027264"	"[O-][N+](=O)OCCO[N+]([O-])=O"	"InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2"	"UQXKXGWGFRWILX-UHFFFAOYSA-N"	"?"
"2877"	"556-63-8"	"Formic acid, lithium salt"	"DTXSID0060303"	"OC=O"	"InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)"	"BDAGIHXWWSANSR-UHFFFAOYSA-N"	"[Li+]"
"2878"	"83-64-7"	"1-Naphthalenesulfonic acid, 4-amino-5-hydroxy-"	"DTXSID1058896"	"NC1C=CC(=C2C=CC=C(O)C2=1)S(O)(=O)=O"	"InChI=1S/C10H9NO4S/c11-7-4-5-9(16(13,14)15)6-2-1-3-8(12)10(6)7/h1-5,12H,11H2,(H,13,14,15)"	"LRDIEHDJWYRVPT-UHFFFAOYSA-N"	"?"
"2879"	"140-39-6"	"4-Tolyl acetate"	"DTXSID0046567"	"CC1C=CC(=CC=1)OC(C)=O"	"InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3"	"CDJJKTLOZJAGIZ-UHFFFAOYSA-N"	"?"
"2880"	"5413-60-5"	"3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl acetate"	"DTXSID4029270"	"CC(=O)OC1CC2CC1C1CC=CC21"	"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3"	"RGVQNSFGUOIKFF-UHFFFAOYSA-N"	"?"
"2881"	"3316-02-7"	"1,3,6-Naphthalenetrisulfonic acid, 8-hydroxy-"	"DTXSID0062971"	"OC1=CC(=CC2=CC(=CC(=C12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C10H8O10S3/c11-8-3-6(21(12,13)14)1-5-2-7(22(15,16)17)4-9(10(5)8)23(18,19)20/h1-4,11H,(H,12,13,14)(H,15,16,17)(H,18,19,20)"	"KMXMLAGYNHELHA-UHFFFAOYSA-N"	"?"
"2882"	"1006-23-1"	"2,4,6-Pyrimidinetriamine, 5-nitroso-"	"DTXSID0061400"	"NC1N=C(N)N=C(N)C=1N=O"	"InChI=1S/C4H6N6O/c5-2-1(10-11)3(6)9-4(7)8-2/h(H6,5,6,7,8,9)"	"XLQQJSWJHHKLOK-UHFFFAOYSA-N"	"?"
"2883"	"3568-23-8"			"CN(C)C(C)CN1C2C=C(C=CC=2SC2C=CC=CC1=2)C(=O)CC"	"InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3"	"UVOIBTBFPOZKGP-UHFFFAOYSA-N"	"C(=C/C(=O)O)/C(=O)O"
"2884"	"7116-97-4"	"1,1'-Biphenyl, 4-octyl-"	"DTXSID40221353"	"CCCCCCCCC1C=CC(=CC=1)C1C=CC=CC=1"	"InChI=1S/C20H26/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)19-12-9-7-10-13-19/h7,9-10,12-17H,2-6,8,11H2,1H3"	"KCLBLDDJJJNGBC-UHFFFAOYSA-N"	"?"
"2885"	"72-00-4"	"Phosphoric acid, 2,2-dichloroethenyl diethyl ester"	"DTXSID8075170"	"CCOP(=O)(OC=C(Cl)Cl)OCC"	"InChI=1S/C6H11Cl2O4P/c1-3-10-13(9,11-4-2)12-5-6(7)8/h5H,3-4H2,1-2H3"	"BVZSTBILYMMKCG-UHFFFAOYSA-N"	"?"
"2886"	"109543-53-5"	"Thiazolo(4,5-c)quinoline, 2-methyl-, monoethanesulfonate"	"DTXSID60148977"	"CC1=NC2C=NC3C=CC=CC=3C=2S1"	"InChI=1S/C11H8N2S/c1-7-13-10-6-12-9-5-3-2-4-8(9)11(10)14-7/h2-6H,1H3"	"WJDUOAAAWXDSHV-UHFFFAOYSA-N"	"S(O)(=O)(=O)CC"
"2887"	"102-18-1"	"1,2-Ethanediamine, N,N'-dimethyl-N,N'-bis(phenylmethyl)-"	"DTXSID0059247"	"CN(CC1C=CC=CC=1)CCN(C)CC1C=CC=CC=1"	"InChI=1S/C18H24N2/c1-19(15-17-9-5-3-6-10-17)13-14-20(2)16-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3"	"VRPZLDIUBCEYBA-UHFFFAOYSA-N"	"?"
"2888"	"615-42-9"	"Benzene, 1,2-diiodo-"	"DTXSID0060648"	"IC1C=CC=CC=1I"	"InChI=1S/C6H4I2/c7-5-3-1-2-4-6(5)8/h1-4H"	"BBOLNFYSRZVALD-UHFFFAOYSA-N"	"?"
"2889"	"2499-58-3"	"Heptyl acrylate"	"DTXSID0062474"	"CCCCCCCOC(=O)C=C"	"InChI=1S/C10H18O2/c1-3-5-6-7-8-9-12-10(11)4-2/h4H,2-3,5-9H2,1H3"	"SCFQUKBBGYTJNC-UHFFFAOYSA-N"	"?"
"2890"	"63867-52-7"	"Ethanol, 2,2'-((4,5-diphenyl-2-oxazolyl)imino)di-, monohydrate"	"DTXSID60213316"	"OCCN(CCO)C1=NC(=C(O1)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C19H20N2O3/c22-13-11-21(12-14-23)19-20-17(15-7-3-1-4-8-15)18(24-19)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2"	"UUCMDZWCRNZCOY-UHFFFAOYSA-N"	"O"
"2891"	"68039-45-2"	"3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-yl 2,2-dimethylpropanoate"	"DTXSID0052388"	"CC(C)(C)C(=O)OC1CC2CC1C1C=CCC21"	"InChI=1S/C15H22O2/c1-15(2,3)14(16)17-13-8-9-7-12(13)11-6-4-5-10(9)11/h4,6,9-13H,5,7-8H2,1-3H3"	"SARNDXMIYRKJOG-UHFFFAOYSA-N"	"?"
"2892"	"14976-57-9"	"Clemastine fumarate"	"DTXSID6047785"	"CN1CCCC1CCOC(C)(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3"	"YNNUSGIPVFPVBX-UHFFFAOYSA-N"	"C(/C=C/C(=O)O)(=O)O"
"2893"	"3347-62-4"	"1H-Pyrazole,3-methyl-5-phenyl-"	"DTXSID90187117"	"CC1=CC(=NN1)C1C=CC=CC=1"	"InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)"	"QHRSESMSOJZMCO-UHFFFAOYSA-N"	"?"
"2894"	"94-92-8"	"1,2-Ethanediamine, N,N'-bis(2-methylphenyl)-"	"DTXSID0059112"	"CC1C=CC=CC=1NCCNC1C=CC=CC=1C"	"InChI=1S/C16H20N2/c1-13-7-3-5-9-15(13)17-11-12-18-16-10-6-4-8-14(16)2/h3-10,17-18H,11-12H2,1-2H3"	"ZQMPWXFHAUDENN-UHFFFAOYSA-N"	"?"
"2895"	"2503-55-1"	"3-Pyridinecarboxamide, N-(phenylmethyl)-"	"DTXSID0062476"	"O=C(NCC1C=CC=CC=1)C1C=CC=NC=1"	"InChI=1S/C13H12N2O/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,15,16)"	"JIAOUYONZMRJJD-UHFFFAOYSA-N"	"?"
"2896"	"31717-87-0"	"Dodemorph acetate"	"DTXSID4034283"	"CC1CN(CC(C)O1)C1CCCCCCCCCCC1"	"InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3"	"JMXKCYUTURMERF-UHFFFAOYSA-N"	"C(=O)(O)C"
"2897"	"109-70-6"	"1-Bromo-3-chloropropane"	"DTXSID1051565"	"ClCCCBr"	"InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2"	"MFESCIUQSIBMSM-UHFFFAOYSA-N"	"?"
"2898"	"804-30-8"	"Fursultiamine"	"DTXSID0023084"	"CC1=NC=C(CN(C=O)C(C)=C(CCO)SSCC2CCCO2)C(N)=N1"	"InChI=1S/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20)"	"JTLXCMOFVBXEKD-UHFFFAOYSA-N"	"?"
"2899"	"536-59-4"	"4-Isopropenylcyclohex-1-en-1-ylmethanol"	"DTXSID4052180"	"CC(=C)C1CCC(CO)=CC1"	"InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3"	"NDTYTMIUWGWIMO-UHFFFAOYSA-N"	"?"
"2900"	"702-54-5"	"Diethadione"	"DTXSID0061032"	"CCC1(COC(=O)NC1=O)CC"	"InChI=1S/C8H13NO3/c1-3-8(4-2)5-12-7(11)9-6(8)10/h3-5H2,1-2H3,(H,9,10,11)"	"ORTYMGHCFWKXHO-UHFFFAOYSA-N"	"?"
"2901"	"21270-01-9"			"CC(CC)OC(CBr)C1C=CC=C(Cl)C=1"	"InChI=1S/C12H16BrClO/c1-3-9(2)15-12(8-13)10-5-4-6-11(14)7-10/h4-7,9,12H,3,8H2,1-2H3"	"KMKOFKBXRUWRID-UHFFFAOYSA-N"	"?"
"2902"	"98-25-9"	"Benzenesulfonic acid, 3,5-diamino-4-methyl-"	"DTXSID0059162"	"CC1C(N)=CC(=CC=1N)S(O)(=O)=O"	"InChI=1S/C7H10N2O3S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12)"	"IPQWXJDRMKGSFI-UHFFFAOYSA-N"	"?"
"2903"	"100242-41-9"			"CC1(OC2(CC1OC1CCC(OC)C(C)O1)CC(O)C(C)C(O2)C(C)C=C(C)C(=O)C(C)CC(C)C(O)=O)C1CCC(C)C2(O1)OC(CC2C)C1OC(O)(CO)C(C)CC1C"	"InChI=1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-32(9)34(49)21-45(59-41)22-38(56-39-16-14-35(54-12)33(10)55-39)44(11,61-45)37-15-13-29(6)47(58-37)31(8)20-36(57-47)42-27(4)19-30(7)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)"	"IXZQKHXEQYZXTP-UHFFFAOYSA-N"	"?"
"2904"	"1871-57-4"	"3-Chloro-2-chloromethyl-1-propene"	"DTXSID3022166"	"C=C(CCl)CCl"	"InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2"	"XJFZOSUFGSANIF-UHFFFAOYSA-N"	"?"
"2905"	"2549-51-1"	"Acetic acid, 2-chloro-, ethenyl ester"	"DTXSID0062509"	"C=COC(=O)CCl"	"InChI=1S/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2"	"XJELOQYISYPGDX-UHFFFAOYSA-N"	"?"
"2906"	"77-63-4"	"Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-"	"DTXSID0058809"	"C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C28H32O4Si4/c1-33(25-17-9-5-10-18-25)29-34(2,26-19-11-6-12-20-26)31-36(4,28-23-15-8-16-24-28)32-35(3,30-33)27-21-13-7-14-22-27/h5-24H,1-4H3"	"IRVZFACCNZRHSJ-UHFFFAOYSA-N"	"?"
"2907"	"5959-89-7"	"D-Glucitol, 1,4-anhydro-, 6-dodecanoate"	"DTXSID9027609"	"CCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O"	"InChI=1S/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3"	"LWZFANDGMFTDAV-UHFFFAOYSA-N"	"?"
"2908"	"70429-40-2"	"4H-Pyrido(1,2-a)pyrimidin-4-one, 7-chloro-3-ethyl-2-methyl-, monohydrochloride"	"DTXSID90220699"	"CC1N=C2C=CC(Cl)=CN2C(=O)C=1CC"	"InChI=1S/C11H11ClN2O/c1-3-9-7(2)13-10-5-4-8(12)6-14(10)11(9)15/h4-6H,3H2,1-2H3"	"IUNLOULNXPRKSP-UHFFFAOYSA-N"	"Cl"
"2909"	"6637-88-3"	"C.I. Direct Orange 6"	"DTXSID8025202"	"CC1=CC(=CC=C1N=NC1C(N)=C(C=C(C)C=1N)S(O)(=O)=O)C1C=C(C)C(=CC=1)N=NC1=CC(=C(O)C=C1)C(O)=O"	"InChI=1S/C28H26N6O6S/c1-14-10-17(4-7-21(14)32-31-19-6-9-23(35)20(13-19)28(36)37)18-5-8-22(15(2)11-18)33-34-27-25(29)16(3)12-24(26(27)30)41(38,39)40/h4-13,35H,29-30H2,1-3H3,(H,36,37)(H,38,39,40)"	"QYRKLZKJMKCVSE-UHFFFAOYSA-N"	"[Na+].[Na+]"
"2910"	"355-03-3"	"Cyclohexanesulfonyl fluoride, undecafluoro-"	"DTXSID0059875"	"O=S(=O)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F"	"InChI=1S/C6F12O2S/c7-1(8)2(9,10)4(13,14)6(17,21(18,19)20)5(15,16)3(1,11)12"	"SUYQQGZHVVTMNY-UHFFFAOYSA-N"	"?"
"2911"	"94-51-9"			"O=C(OCCCOCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1"	"InChI=1S/C20H22O5/c21-19(17-9-3-1-4-10-17)24-15-7-13-23-14-8-16-25-20(22)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2"	"BYQDGAVOOHIJQS-UHFFFAOYSA-N"	"?"
"2912"	"2411-36-1"	"1-Heptanamine, N,N-diheptyl-"	"DTXSID0062391"	"CCCCCCCN(CCCCCCC)CCCCCCC"	"InChI=1S/C21H45N/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-21H2,1-3H3"	"CLZGJKHEVKJLLS-UHFFFAOYSA-N"	"?"
"2913"	"2818-88-4"	"Benzoselenazole, 2-methyl-"	"DTXSID3062653"	"CC1=NC2C=CC=CC=2[Se]1"	"InChI=1S/C8H7NSe/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3"	"VYFYELQQECQPHU-UHFFFAOYSA-N"	"?"
"2914"	"64058-99-7"			"CCOC(/C(/NCCC)=N/CCC)C1C=CC(Cl)=CC=1"	"InChI=1S/C16H25ClN2O/c1-4-11-18-16(19-12-5-2)15(20-6-3)13-7-9-14(17)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,18,19)"	"SLKRAJQUPTYRFX-UHFFFAOYSA-N"	"?"
"2915"	"882-09-7"	"Clofibric acid"	"DTXSID1040661"	"CC(C)(OC1C=CC(Cl)=CC=1)C(O)=O"	"InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)"	"TXCGAZHTZHNUAI-UHFFFAOYSA-N"	"?"
"2916"	"75157-06-1"			"CC(C)N(CCC(C#N)(C1C=CC=CN=1)C1C=CC=CC=1)C(C)C"	"InChI=1S/C21H27N3/c1-17(2)24(18(3)4)15-13-21(16-22,19-10-6-5-7-11-19)20-12-8-9-14-23-20/h5-12,14,17-18H,13,15H2,1-4H3"	"SSDIPWVFVFRNKB-UHFFFAOYSA-N"	"CC1C=CC(S(=O)(=O)O)=CC=1"
"2917"	"59189-82-1"	"Didodecyl 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl phosphite"	"DTXSID0052257"	"CC(C)(C1C=CC(O)=CC=1)C1C=CC(=CC=1)OP(OCCCCCCCCCCCC)OCCCCCCCCCCCC"	"InChI=1S/C39H65O4P/c1-5-7-9-11-13-15-17-19-21-23-33-41-44(42-34-24-22-20-18-16-14-12-10-8-6-2)43-38-31-27-36(28-32-38)39(3,4)35-25-29-37(40)30-26-35/h25-32,40H,5-24,33-34H2,1-4H3"	"VBQRJCUGJJZMHY-UHFFFAOYSA-N"	"?"
"2918"	"762-42-5"	"2-Butynedioic acid, dimethyl ester"	"DTXSID0061088"	"COC(=O)C#CC(=O)OC"	"InChI=1S/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H3"	"VHILMKFSCRWWIJ-UHFFFAOYSA-N"	"?"
"2919"	"6385-58-6"	"Sodium bithionolate"	"DTXSID8021270"	"OC1C(=CC(Cl)=CC=1Cl)SC1=CC(Cl)=CC(Cl)=C1O"	"InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H"	"JFIOVJDNOJYLKP-UHFFFAOYSA-N"	"[Na+].[Na+]"
"2920"	"620-87-1"	"2-(4-Nitrobenzyl)pyridine"	"DTXSID0060725"	"[O-][N+](=O)C1C=CC(CC2C=CC=CN=2)=CC=1"	"InChI=1S/C12H10N2O2/c15-14(16)12-6-4-10(5-7-12)9-11-3-1-2-8-13-11/h1-8H,9H2"	"YBRDBYGCEIDLBX-UHFFFAOYSA-N"	"?"
"2921"	"9016-45-9"			"CCCCCCCCCC1C=CC(=CC=1)OCCOCCO"	"InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3"	"BLXVTZPGEOGTGG-UHFFFAOYSA-N"	"?"
"2922"	"153049-45-7"			"CN(C)CCC=C1C2C=CC=CC=2CS(=O)C2SC=CC=21"	"InChI=1S/C17H19NOS2/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-21(19)17-16(15)9-11-20-17/h3-4,6-9,11H,5,10,12H2,1-2H3"	"ODOQEUKFOVZYAM-UHFFFAOYSA-N"	"C(=C/C(=O)O)\C(=O)O"
"2923"	"1198-37-4"	"Quinoline, 2,4-dimethyl-"	"DTXSID0061610"	"CC1C=C(C)N=C2C=CC=CC=12"	"InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3"	"ZTNANFDSJRRZRJ-UHFFFAOYSA-N"	"?"
"2924"	"5006-66-6"	"6-Hydroxynicotinic acid"	"DTXSID0057754"	"OC1C=CC(=CN=1)C(O)=O"	"InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)"	"BLHCMGRVFXRYRN-UHFFFAOYSA-N"	"?"
"2925"	"3425-46-5"	"Selenocyanic acid, potassium salt"	"DTXSID0063020"	"N#C[Se-]"	"InChI=1S/CHNSe/c2-1-3/h3H/p-1"	"CRDYSYOERSZTHZ-UHFFFAOYSA-M"	"[K+]"
"2926"	"24623-77-6"	"Aluminium hydroxide oxide"	"DTXSID0052679"	"OC1=C2C(=CC(=C1O)S(O)(=O)=O)C(=O)C1=CC=CC=C1C2=O"	"InChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)"	"JKYKXTRKURYNGW-UHFFFAOYSA-N"	"[Na+]"
"2927"	"530-57-4"	"Syringic acid"	"DTXSID0060191"	"COC1=CC(=CC(OC)=C1O)C(O)=O"	"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)"	"JMSVCTWVEWCHDZ-UHFFFAOYSA-N"	"?"
"2928"	"59198-70-8"	"Diflucortolone valerate"	"DTXSID1048598"	"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)COC(=O)CCCC"	"InChI=1S/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3"	"HHJIUUAMYGBVSD-UHFFFAOYSA-N"	"?"
"2929"	"28606-03-3"			"CC1(C)C2CC=C(C)C1(S)C2"	"InChI=1S/C10H16S/c1-7-4-5-8-6-10(7,11)9(8,2)3/h4,8,11H,5-6H2,1-3H3"	"KYKXCDSVDJLHMG-UHFFFAOYSA-N"	"?"
"2930"	"49866-87-7"	"Difenzoquat"	"DTXSID6043965"	"CN1C(=CC(C2C=CC=CC=2)=[N+]1C)C1C=CC=CC=1"	"InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1"	"LBGPXIPGGRQBJW-UHFFFAOYSA-N"	"?"
"2931"	"136-99-2"	"1H-Imidazole-1-ethanol, 4,5-dihydro-2-undecyl-"	"DTXSID0059667"	"CCCCCCCCCCCC1=NCCN1CCO"	"InChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-10-11-16-17-12-13-18(16)14-15-19/h19H,2-15H2,1H3"	"QNDGQRJVVZJMJO-UHFFFAOYSA-N"	"?"
"2932"	"121-62-0"	"4-(Acetylamino)benzenesulfonic acid"	"DTXSID0059530"	"CC(=O)NC1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C8H9NO4S/c1-6(10)9-7-2-4-8(5-3-7)14(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)"	"ZQPVMSLLKQTRMG-UHFFFAOYSA-N"	"?"
"2933"	"762-16-3"	"Peroxide, bis(1-oxooctyl)"	"DTXSID0061086"	"CCCCCCCC(=O)OOC(=O)CCCCCCC"	"InChI=1S/C16H30O4/c1-3-5-7-9-11-13-15(17)19-20-16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3"	"SRSFOMHQIATOFV-UHFFFAOYSA-N"	"?"
"2934"	"307-34-6"	"Octane, octadecafluoro-"	"DTXSID0059794"	"FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26"	"YVBBRRALBYAZBM-UHFFFAOYSA-N"	"?"
"2935"	"100-47-0"	"Benzonitrile"	"DTXSID7021491"	"N#CC1C=CC=CC=1"	"InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H"	"JFDZBHWFFUWGJE-UHFFFAOYSA-N"	"?"
"2936"	"59214-92-5"	"3-Pyridinecarboxamide, N-(5-amino-2-(trifluoromethyl)phenyl)-, dihydrochloride"	"DTXSID50207961"	"NC1=CC(NC(=O)C2C=NC=CC=2)=C(C=C1)C(F)(F)F"	"InChI=1S/C13H10F3N3O/c14-13(15,16)10-4-3-9(17)6-11(10)19-12(20)8-2-1-5-18-7-8/h1-7H,17H2,(H,19,20)"	"ZXIUIARDVIRJNR-UHFFFAOYSA-N"	"Cl.Cl"
"2937"	"109581-93-3"			"CC1CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)C(O)CC(=O)C(CC=C)C=1)C(C)=CC1CC(OC)C(O)CC1 |t:46|"	"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19-,27-21?"	"QJJXYPPXXYFBGM-HFLARRBESA-N"	"?"
"2938"	"3690-28-6"			"CCOC(=O)C(SP(=O)(OC)OC)C1C=CC=CC=1"	"InChI=1S/C12H17O5PS/c1-4-17-12(13)11(10-8-6-5-7-9-10)19-18(14,15-2)16-3/h5-9,11H,4H2,1-3H3"	"BPHVILLCQZUQEX-UHFFFAOYSA-N"	"?"
"2939"	"60736-70-1"	"3-Chloro-4-benzoyloxyphenylacetic acid"	"DTXSID20209553"	"OC(=O)CC1C=C(Cl)C(=CC=1)OCC1C=CC=CC=1"	"InChI=1S/C15H13ClO3/c16-13-8-12(9-15(17)18)6-7-14(13)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)"	"DFHBBMJTBBLQSA-UHFFFAOYSA-N"	"?"
"2940"	"108-48-5"	"2,6-Dimethylpyridine"	"DTXSID7051557"	"CC1C=CC=C(C)N=1"	"InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3"	"OISVCGZHLKNMSJ-UHFFFAOYSA-N"	"?"
"2941"	"2628-16-2"	"4-Ethenylphenyl acetate"	"DTXSID2044898"	"CC(=O)OC1C=CC(C=C)=CC=1"	"InChI=1S/C10H10O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h3-7H,1H2,2H3"	"JAMNSIXSLVPNLC-UHFFFAOYSA-N"	"?"
"2942"	"131766-73-9"	"2H-Pyran-4-ol, tetrahydro-4-methyl-2-propyl-, 4-acetate"	"DTXSID80888944"	"CCCC1CC(C)(CCO1)OC(C)=O"	"InChI=1S/C11H20O3/c1-4-5-10-8-11(3,6-7-13-10)14-9(2)12/h10H,4-8H2,1-3H3"	"GURYYNWDVKXZAT-UHFFFAOYSA-N"	"?"
"2943"	"5917-61-3"	"1-[(2,2-Dinitropropoxy)methoxy]-2,2-dinitropropane"	"DTXSID0052255"	"CC(COCOCC(C)([N+]([O-])=O)[N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C7H12N4O10/c1-6(8(12)13,9(14)15)3-20-5-21-4-7(2,10(16)17)11(18)19/h3-5H2,1-2H3"	"ZQXWPHXDXHONFS-UHFFFAOYSA-N"	"?"
"2944"	"101-91-7"	"Butanamide, N-(4-hydroxyphenyl)-"	"DTXSID0059241"	"CCCC(=O)NC1C=CC(O)=CC=1"	"InChI=1S/C10H13NO2/c1-2-3-10(13)11-8-4-6-9(12)7-5-8/h4-7,12H,2-3H2,1H3,(H,11,13)"	"KESXDDATSRRGAH-UHFFFAOYSA-N"	"?"
"2945"	"95-53-4"	"2-Methylaniline"	"DTXSID1026164"	"CC1C=CC=CC=1N"	"InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3"	"RNVCVTLRINQCPJ-UHFFFAOYSA-N"	"?"
"2946"	"135-80-8"	"2-Naphthalenesulfonic acid, 5,6,7,8-tetrahydro-, sodium salt"	"DTXSID0059661"	"OS(=O)(=O)C1=CC2CCCCC=2C=C1"	"InChI=1S/C10H12O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,11,12,13)"	"CTEWUQNEQPLMMJ-UHFFFAOYSA-N"	"[Na+]"
"2947"	"80-25-1"	"Dihydro-alpha-terpinyl acetate"	"DTXSID0052677"	"CC1CCC(CC1)C(C)(C)OC(C)=O"	"InChI=1S/C12H22O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h9,11H,5-8H2,1-4H3"	"HBNHCGDYYBMKJN-UHFFFAOYSA-N"	"?"
"2948"	"638-10-8"	"2-Butenoic acid, 3-methyl-, ethyl ester"	"DTXSID0060931"	"CC(C)=CC(=O)OCC"	"InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3"	"UTXVCHVLDOLVPC-UHFFFAOYSA-N"	"?"
"2949"	"65769-10-0"	"6,6-Dimethylheptan-1-ol"	"DTXSID00577444"	"CC(C)(C)CCCCCO"	"InChI=1S/C9H20O/c1-9(2,3)7-5-4-6-8-10/h10H,4-8H2,1-3H3"	"IOFUAVGBFVXDAO-UHFFFAOYSA-N"	"?"
"2950"	"3671-60-1"	"Benzimidazole, 5-bromo-2-(trifluoromethyl)-"	"DTXSID80190170"	"FC(F)(F)C1NC2C=C(Br)C=CC=2N=1"	"InChI=1S/C8H4BrF3N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)"	"FKSDCMMCSWXZLS-UHFFFAOYSA-N"	"?"
"2951"	"51487-69-5"	"Cloethocarb"	"DTXSID8041791"	"COC(CCl)OC1C=CC=CC=1OC(=O)NC"	"InChI=1S/C11H14ClNO4/c1-13-11(14)17-9-6-4-3-5-8(9)16-10(7-12)15-2/h3-6,10H,7H2,1-2H3,(H,13,14)"	"PITWUHDDNUVBPT-UHFFFAOYSA-N"	"?"
"2952"	"479-59-4"	"1H,5H-Benzo[ij]quinolizine, 2,3,6,7-tetrahydro-"	"DTXSID0060060"	"C1CCN2CCCC3=CC=CC1=C23"	"InChI=1S/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1,4-5H,2-3,6-9H2"	"DZFWNZJKBJOGFQ-UHFFFAOYSA-N"	"?"
"2953"	"14689-60-2"	"Benzimidazole, 6-chloro-4,5,7-tribromo-2-(trifluoromethyl)-"	"DTXSID90163537"	"FC(F)(F)C1NC2C(N=1)=C(Br)C(Br)=C(Cl)C=2Br"	"InChI=1S/C8HBr3ClF3N2/c9-1-2(10)5-6(3(11)4(1)12)17-7(16-5)8(13,14)15/h(H,16,17)"	"CHZJVQDAPMZVIA-UHFFFAOYSA-N"	"?"
"2954"	"81250-24-0"	"1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-8-methyl-1-propyl-"	"DTXSID60230982"	"CC1NC2=C(N=1)N(CCCC)C(=O)N(CCC)C2=O"	"InChI=1S/C13H20N4O2/c1-4-6-8-16-11-10(14-9(3)15-11)12(18)17(7-5-2)13(16)19/h4-8H2,1-3H3,(H,14,15)"	"QMRNVBQRDCPVDY-UHFFFAOYSA-N"	"?"
"2955"	"79-89-0"	"3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one"	"DTXSID0052544"	"CC1CCCC(C)(C)C=1C=C(C)C(C)=O"	"InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3"	"NSSHGPBKKVJJMM-UHFFFAOYSA-N"	"?"
"2956"	"927-73-1"	"1-Butene, 4-chloro-"	"DTXSID0061298"	"C=CCCCl"	"InChI=1S/C4H7Cl/c1-2-3-4-5/h2H,1,3-4H2"	"WKEVRZCQFQDCIR-UHFFFAOYSA-N"	"?"
"2957"	"996-70-3"	"Ethenetetramine, octamethyl-"	"DTXSID0061371"	"CN(C)C(=C(N(C)C)N(C)C)N(C)C"	"InChI=1S/C10H24N4/c1-11(2)9(12(3)4)10(13(5)6)14(7)8/h1-8H3"	"CBXRMKZFYQISIV-UHFFFAOYSA-N"	"?"
"2958"	"17578-41-5"	"Carbamic acid, methyl-, 6-chlorothymyl ester"	"DTXSID30170023"	"CC1=CC=C(C(C)C)C(OC(=O)NC)=C1Cl"	"InChI=1S/C12H16ClNO2/c1-7(2)9-6-5-8(3)10(13)11(9)16-12(15)14-4/h5-7H,1-4H3,(H,14,15)"	"SJFVLRSDYVADNO-UHFFFAOYSA-N"	"?"
"2959"	"58911-05-0"	"Methyl 1,4-dimethylcyclohex-3-ene-1-carboxylate"	"DTXSID0052251"	"CC1CCC(C)(CC=1)C(=O)OC"	"InChI=1S/C10H16O2/c1-8-4-6-10(2,7-5-8)9(11)12-3/h4H,5-7H2,1-3H3"	"PAXHLOIQWUFMQI-UHFFFAOYSA-N"	"?"
"2960"	"487-21-8"	"Lumazine"	"DTXSID0060068"	"OC1N=C(O)C2=NC=CN=C2N=1"	"InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)"	"UYEUUXMDVNYCAM-UHFFFAOYSA-N"	"?"
"2961"	"130-13-2"	"4-Amino-1-naphthalenesulfonic acid sodium salt"	"DTXSID0059611"	"NC1=CC=C(C2=CC=CC=C21)S(O)(=O)=O"	"InChI=1S/C10H9NO3S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H,11H2,(H,12,13,14)"	"NRZRRZAVMCAKEP-UHFFFAOYSA-N"	"[Na+]"
"2962"	"3179-31-5"	"3-Mercapto-1,2,4-triazole"	"DTXSID0062894"	"SC1NC=NN=1"	"InChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)"	"AFBBKYQYNPNMAT-UHFFFAOYSA-N"	"?"
"2963"	"56903-81-2"	"1,3-Benzodioxole-5-hexanamine, delta-(2-(1,3-benzodioxol-5-yl)ethyl)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (salt)"	"DTXSID30205445"	"CN(C)CCCC(CCC1=CC2OCOC=2C=C1)CCC1=CC2OCOC=2C=C1"	"InChI=1S/C24H31NO4/c1-25(2)13-3-4-18(5-7-19-9-11-21-23(14-19)28-16-26-21)6-8-20-10-12-22-24(15-20)29-17-27-22/h9-12,14-15,18H,3-8,13,16-17H2,1-2H3"	"XSBCJOVXLGCMSC-UHFFFAOYSA-N"	"OC(CC(O)=O)(CC(O)=O)C(O)=O"
"2964"	"1761-56-4"	"Phenol, 2-[[(2-hydroxyphenyl)imino]methyl]-"	"DTXSID0061953"	"OC1C=CC=CC=1N=CC1C=CC=CC=1O"	"InChI=1S/C13H11NO2/c15-12-7-3-1-5-10(12)9-14-11-6-2-4-8-13(11)16/h1-9,15-16H"	"CHBGIQHEGBKNGA-UHFFFAOYSA-N"	"?"
"2965"	"104-24-5"	"Benzoyl chloride, 4-(phenylazo)-"	"DTXSID0059293"	"O=C(Cl)C1C=CC(=CC=1)N=NC1C=CC=CC=1"	"InChI=1S/C13H9ClN2O/c14-13(17)10-6-8-12(9-7-10)16-15-11-4-2-1-3-5-11/h1-9H"	"RYMHZBAYPLCCAC-UHFFFAOYSA-N"	"?"
"2966"	"103-69-5"	"N-Ethylaniline"	"DTXSID1025271"	"CCNC1C=CC=CC=1"	"InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3"	"OJGMBLNIHDZDGS-UHFFFAOYSA-N"	"?"
"2967"	"594-16-1"	"Propane, 2,2-dibromo-"	"DTXSID0060482"	"CC(C)(Br)Br"	"InChI=1S/C3H6Br2/c1-3(2,4)5/h1-2H3"	"ARITXYXYCOZKMU-UHFFFAOYSA-N"	"?"
"2968"	"6419-19-8"	"Aminotrimethylene phosphonic acid"	"DTXSID2027624"	"OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O"	"InChI=1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)"	"YDONNITUKPKTIG-UHFFFAOYSA-N"	"?"
"2969"	"121-02-8"	"o-Toluenesulfonyl chloride, 5-nitro-"	"DTXSID10153096"	"CC1C=CC(=CC=1S(=O)(=O)Cl)[N+]([O-])=O"	"InChI=1S/C7H6ClNO4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3"	"WPGVQDHXOUAJBW-UHFFFAOYSA-N"	"?"
"2970"	"67801-38-1"	"4-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-3-buten-2-one"	"DTXSID1052371"	"CC1CC(C)C(C=CC(C)=O)C(C)C=1"	"InChI=1S/C13H20O/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h5-7,10-11,13H,8H2,1-4H3"	"FETSKTIMHFKZNF-UHFFFAOYSA-N"	"?"
"2971"	"62774-96-3"	"Tilisolol hydrochloride"	"DTXSID3021350"	"CN1C=C(OCC(O)CNC(C)(C)C)C2C=CC=CC=2C1=O"	"InChI=1S/C17H24N2O3/c1-17(2,3)18-9-12(20)11-22-15-10-19(4)16(21)14-8-6-5-7-13(14)15/h5-8,10,12,18,20H,9,11H2,1-4H3"	"TWVUMMQUXMYOOH-UHFFFAOYSA-N"	"Cl"
"2972"	"83130-01-2"	"Alanycarb"	"DTXSID5058195"	"CN(SN(CCC(=O)OCC)CC1C=CC=CC=1)C(=O)ON=C(C)SC"	"InChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3"	"GMAUQNJOSOMMHI-UHFFFAOYSA-N"	"?"
"2973"	"19186-97-1"	"Tris(tribromoneopentyl)phosphate"	"DTXSID0058691"	"O=P(OCC(CBr)(CBr)CBr)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr"	"InChI=1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2"	"BHYQWBKCXBXPKM-UHFFFAOYSA-N"	"?"
"2974"	"57-47-6"	"Physostigmine"	"DTXSID3023471"	"CN1CCC2(C)C1N(C)C1C=CC(=CC2=1)OC(=O)NC"	"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)"	"PIJVFDBKTWXHHD-UHFFFAOYSA-N"	"?"
"2975"	"58810-48-3"	"Ofurace"	"DTXSID6058138"	"CC1C=CC=C(C)C=1N(C1CCOC1=O)C(=O)CCl"	"InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3"	"OWDLFBLNMPCXSD-UHFFFAOYSA-N"	"?"
"2976"	"39635-79-5"	"4,4'-Sulphonylbis[2,6-dibromophenol]"	"DTXSID0052708"	"OC1C(Br)=CC(=CC=1Br)S(=O)(=O)C1=CC(Br)=C(O)C(Br)=C1"	"InChI=1S/C12H6Br4O4S/c13-7-1-5(2-8(14)11(7)17)21(19,20)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H"	"JHJUYGMZIWDHMO-UHFFFAOYSA-N"	"?"
"2977"	"4502-14-1"			"NCC(O)C1=CC=C(O)C=C1"	"InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2"	"QHGUCRYDKWKLMG-UHFFFAOYSA-N"	"Cl"
"2978"	"4935-70-0"	"Morazine"	"DTXSID30197775"	"C(CCN1C2C=CC=CC=2SC2C=CC=CC1=2)N1CCOCC1"	"InChI=1S/C19H22N2OS/c1-3-8-18-16(6-1)21(17-7-2-4-9-19(17)23-18)11-5-10-20-12-14-22-15-13-20/h1-4,6-9H,5,10-15H2"	"UALCBDFAIRGZSF-UHFFFAOYSA-N"	"?"
"2979"	"317-83-9"	"2-Cyclohexyl-4,6-dinitrophenol dicyclohexylamine salt"	"DTXSID8074990"	"[O-][N+](=O)C1=CC(=C(O)C(=C1)C1CCCCC1)[N+]([O-])=O"	"InChI=1S/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2"	"QJYHUJAGJUHXJN-UHFFFAOYSA-N"	"C1(NC2CCCCC2)CCCCC1"
"2980"	"1468-37-7"	"Dimexano"	"DTXSID4057978"	"COC(=S)SSC(=S)OC"	"InChI=1S/C4H6O2S4/c1-5-3(7)9-10-4(8)6-2/h1-2H3"	"FVCPXLWAKNJIKK-UHFFFAOYSA-N"	"?"
"2981"	"2877-26-1"	"Octadecane, 1-isothiocyanato-"	"DTXSID0062680"	"CCCCCCCCCCCCCCCCCCN=C=S"	"InChI=1S/C19H37NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3"	"VJIRSSFEIRFISD-UHFFFAOYSA-N"	"?"
"2982"	"936-02-7"	"Salicylic acid hydrazide"	"DTXSID0061321"	"NNC(=O)C1C=CC=CC=1O"	"InChI=1S/C7H8N2O2/c8-9-7(11)5-3-1-2-4-6(5)10/h1-4,10H,8H2,(H,9,11)"	"XSXYESVZDBAKKT-UHFFFAOYSA-N"	"?"
"2983"	"122-03-2"	"4-Isopropylbenzaldehyde"	"DTXSID9021974"	"CC(C)C1C=CC(C=O)=CC=1"	"InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3"	"WTWBUQJHJGUZCY-UHFFFAOYSA-N"	"?"
"2984"	"1070-83-3"	"Butanoic acid, 3,3-dimethyl-"	"DTXSID0061450"	"CC(C)(C)CC(O)=O"	"InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)"	"MLMQPDHYNJCQAO-UHFFFAOYSA-N"	"?"
"2985"	"2050-24-0"	"3,5-Diethyltoluene"	"DTXSID0062133"	"CC1C=C(CC)C=C(CC)C=1"	"InChI=1S/C11H16/c1-4-10-6-9(3)7-11(5-2)8-10/h6-8H,4-5H2,1-3H3"	"HILAULICMJUOLK-UHFFFAOYSA-N"	"?"
"2986"	"563-54-2"	"1,2-Dichloropropene"	"DTXSID2060337"	"CC(Cl)=CCl"	"InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3"	"PPKPKFIWDXDAGC-UHFFFAOYSA-N"	"?"
"2987"	"3002-24-2"	"2,4-Hexanedione"	"DTXSID0062769"	"CC(=O)CC(=O)CC"	"InChI=1S/C6H10O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3"	"NDOGLIPWGGRQCO-UHFFFAOYSA-N"	"?"
"2988"	"875-51-4"	"4-Bromo-2-nitroaniline"	"DTXSID0061248"	"NC1C=CC(Br)=CC=1[N+]([O-])=O"	"InChI=1S/C6H5BrN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2"	"ZCWBZRBJSPWUPG-UHFFFAOYSA-N"	"?"
"2989"	"2510-95-4"	"Benzeneacetonitrile, .alpha.-(phenylmethylene)-"	"DTXSID0062478"	"N#CC(=CC1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H"	"VFOKYTYWXOYPOX-UHFFFAOYSA-N"	"?"
"2990"	"51799-29-2"	"Nifurpipone acetate"	"DTXSID00199726"	"CN1CCN(CC(=O)NN=CC2=CC=C(O2)[N+]([O-])=O)CC1"	"InChI=1S/C12H17N5O4/c1-15-4-6-16(7-5-15)9-11(18)14-13-8-10-2-3-12(21-10)17(19)20/h2-3,8H,4-7,9H2,1H3,(H,14,18)"	"FHHFNHFFCVLLHX-UHFFFAOYSA-N"	"OC(=O)C"
"2991"	"2217-55-2"	"Disulfide, bis(2,4-dinitrophenyl)"	"DTXSID0062266"	"[O-][N+](=O)C1=CC(=C(C=C1)SSC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C12H6N4O8S2/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-26-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H"	"FZSBDDXXXSWEEW-UHFFFAOYSA-N"	"?"
"2992"	"403-54-3"	"Benzonitrile, 3-fluoro-"	"DTXSID0059954"	"N#CC1C=C(F)C=CC=1"	"InChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H"	"JZTPKAROPNTQQV-UHFFFAOYSA-N"	"?"
"2993"	"97699-72-4"	"2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, 2-(4-benzyl-1-piperazinyl)ethyl ester, (S)-"	"DTXSID60243133"	"COC1=CC2=CC=C(C=C2C=C1)C(C)C(=O)OCCN1CCN(CC2C=CC=CC=2)CC1"	"InChI=1S/C27H32N2O3/c1-21(23-8-9-25-19-26(31-2)11-10-24(25)18-23)27(30)32-17-16-28-12-14-29(15-13-28)20-22-6-4-3-5-7-22/h3-11,18-19,21H,12-17,20H2,1-2H3"	"XQIUVDPKCXBOLN-UHFFFAOYSA-N"	"?"
"2994"	"83733-82-8"	"Fosmethilan"	"DTXSID0058196"	"CCCC(=O)N(CSP(=S)(OC)OC)C1=CC=CC=C1Cl"	"InChI=1S/C13H19ClNO3PS2/c1-4-7-13(16)15(10-21-19(20,17-2)18-3)12-9-6-5-8-11(12)14/h5-6,8-9H,4,7,10H2,1-3H3"	"MVBGKYGTNGPFHT-UHFFFAOYSA-N"	"?"
"2995"	"34123-59-6"	"Isoproturon"	"DTXSID1042077"	"CC(C)C1C=CC(=CC=1)NC(=O)N(C)C"	"InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)"	"PUIYMUZLKQOUOZ-UHFFFAOYSA-N"	"?"
"2996"	"130-15-4"	"1,4-Naphthoquinone"	"DTXSID5040704"	"O=C1C=CC(=O)C2C=CC=CC1=2"	"InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H"	"FRASJONUBLZVQX-UHFFFAOYSA-N"	"?"
"2997"	"759-73-9"	"1-Ethyl-1-nitrosourea"	"DTXSID8020593"	"CCN(N=O)C(N)=O"	"InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)"	"FUSGACRLAFQQRL-UHFFFAOYSA-N"	"?"
"2998"	"109-08-0"	"2-Methylpyrazine"	"DTXSID4047620"	"CC1C=NC=CN=1"	"InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3"	"CAWHJQAVHZEVTJ-UHFFFAOYSA-N"	"?"
"2999"	"485-31-4"	"Binapacryl"	"DTXSID9040269"	"CC(C)=CC(=O)OC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(C)CC"	"InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3"	"ZRDUSMYWDRPZRM-UHFFFAOYSA-N"	"?"
"3000"	"1322-12-9"	"Carbonic acid, ethyl octynyl ester"	"DTXSID00157427"	"CCOC(=O)OC#CCCCCCC"	"InChI=1S/C11H18O3/c1-3-5-6-7-8-9-10-14-11(12)13-4-2/h3-8H2,1-2H3"	"PYEYQVUFMQXYGR-UHFFFAOYSA-N"	"?"
"3001"	"39123-31-4"	"4-Thiazolidinone, 3-propyl-2-thioxo-"	"DTXSID0068159"	"CCCN1C(=O)CSC1=S"	"InChI=1S/C6H9NOS2/c1-2-3-7-5(8)4-10-6(7)9/h2-4H2,1H3"	"KKDLWQFJOGDMBI-UHFFFAOYSA-N"	"?"
"3002"	"125055-78-9"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-6-methyl-4-oxo-, monohydrochloride"	"DTXSID30154585"	"CC1=CC=CC2=NC=C(C(=O)N21)C(=O)NC1CCCC1"	"InChI=1S/C15H17N3O2/c1-10-5-4-8-13-16-9-12(15(20)18(10)13)14(19)17-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,17,19)"	"SROGDZSCZFEIAO-UHFFFAOYSA-N"	"Cl"
"3003"	"5560-62-3"	"[1,1'-Biphenyl]-3-carboxylic acid, 2-hydroxy-, 2-(diethylamino)ethyl ester, hydrochloride"	"DTXSID0063949"	"CCN(CCOC(=O)C1=CC=CC(=C1O)C1C=CC=CC=1)CC"	"InChI=1S/C19H23NO3/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15/h5-12,21H,3-4,13-14H2,1-2H3"	"HLDCSYXMVXILQC-UHFFFAOYSA-N"	"Cl"
"3004"	"16586-42-8"	"Propanenitrile, 3-[ethyl[3-methyl-4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]-"	"DTXSID0066084"	"CC1C=C(C=CC=1N=NC1=NC2=CC=C(C=C2S1)[N+]([O-])=O)N(CCC#N)CC"	"InChI=1S/C19H18N6O2S/c1-3-24(10-4-9-20)14-5-7-16(13(2)11-14)22-23-19-21-17-8-6-15(25(26)27)12-18(17)28-19/h5-8,11-12H,3-4,10H2,1-2H3"	"WYHKEXCMJQVTSP-UHFFFAOYSA-N"	"?"
"3005"	"23561-36-6"	"Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester"	"DTXSID0066909"	"[O-][N+](=O)C1=CC(CCl)=C(C=C1)OP(=O)(Cl)Cl"	"InChI=1S/C7H5Cl3NO4P/c8-4-5-3-6(11(12)13)1-2-7(5)15-16(9,10)14/h1-3H,4H2"	"KWKRRLZRKOWLBW-UHFFFAOYSA-N"	"?"
"3006"	"4477-28-5"	"Benzenediazonium, 4-(phenylamino)-, sulfate (1:1)"	"DTXSID0063490"	"N#[N+]C1C=CC(=CC=1)NC1C=CC=CC=1"	"InChI=1S/C12H10N3/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10/h1-9,14H/q+1"	"BIHDOXAXFMXYDF-UHFFFAOYSA-N"	"S(=O)(=O)([O-])O"
"3007"	"14047-29-1"			"OC(=O)C1=CC=C(C=C1)B(O)O"	"InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)"	"SIAVMDKGVRXFAX-UHFFFAOYSA-N"	"?"
"3008"	"56-86-0"	"L-Glutamic acid"	"DTXSID5020659"	"NC(CCC(O)=O)C(O)=O"	"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)"	"WHUUTDBJXJRKMK-UHFFFAOYSA-N"	"?"
"3009"	"79319-85-0"	"Chuan HUA 018"	"DTXSID20229615"	"S=C1N=NC(NCNC2N=NC(=S)S2)S1"	"InChI=1S/C5H6N6S4/c12-4-10-8-2(14-4)6-1-7-3-9-11-5(13)15-3/h2-3,6-7H,1H2"	"WXEIYAXZDPGKRZ-UHFFFAOYSA-N"	"?"
"3010"	"41161-57-3"	"Benzoic acid, 2-chloro-4-[(4-heptylbenzoyl)oxy]-, 4-octylphenyl ester"	"DTXSID0068284"	"CCCCCCCCC1C=CC(=CC=1)OC(=O)C1C=CC(=CC=1Cl)OC(=O)C1C=CC(CCCCCCC)=CC=1"	"InChI=1S/C35H43ClO4/c1-3-5-7-9-11-13-15-28-18-22-30(23-19-28)39-35(38)32-25-24-31(26-33(32)36)40-34(37)29-20-16-27(17-21-29)14-12-10-8-6-4-2/h16-26H,3-15H2,1-2H3"	"PVPLJWOWXVOSPP-UHFFFAOYSA-N"	"?"
"3011"	"25124-87-2"	"Benzenesulfonic acid, 3-[[4-[(4-ethoxyphenyl)azo]-2,5-dimethoxyphenyl]azo]-"	"DTXSID0067056"	"CCOC1C=CC(=CC=1)N=NC1=CC(OC)=C(C=C1OC)N=NC1C=C(C=CC=1)S(O)(=O)=O"	"InChI=1S/C22H22N4O6S/c1-4-32-17-10-8-15(9-11-17)23-25-19-13-22(31-3)20(14-21(19)30-2)26-24-16-6-5-7-18(12-16)33(27,28)29/h5-14H,4H2,1-3H3,(H,27,28,29)"	"OFLKKXQQHQTLJM-UHFFFAOYSA-N"	"?"
"3012"	"3441-14-3"	"Direct Red 23"	"DTXSID90879787"	"CC(=O)NC1C=CC(=CC=1)N=NC1C(=CC2C=C(C=CC=2C=1O)NC(=O)NC1=CC2C=C(C(N=NC3C=CC=CC=3)=C(O)C=2C=C1)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C35H27N7O10S2/c1-19(43)36-22-7-9-24(10-8-22)40-42-32-30(54(50,51)52)18-21-16-26(12-14-28(21)34(32)45)38-35(46)37-25-11-13-27-20(15-25)17-29(53(47,48)49)31(33(27)44)41-39-23-5-3-2-4-6-23/h2-18,44-45H,1H3,(H,36,43)(H2,37,38,46)(H,47,48,49)(H,50,51,52)"	"ICIJDHUPWYQXGB-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3013"	"5826-73-3"	"Dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate"	"DTXSID8041876"	"COC(=O)C1C2CC(C=C2)C1C(=O)OC"	"InChI=1S/C11H14O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3-4,6-9H,5H2,1-2H3"	"VGQLNJWOULYVFV-UHFFFAOYSA-N"	"?"
"3014"	"84197-36-4"	"Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester"	"DTXSID30233122"	"CCOP(=S)(OC1=CC(=C(Cl)C=C1Cl)[N+]([O-])=O)OCC"	"InChI=1S/C10H12Cl2NO5PS/c1-3-16-19(20,17-4-2)18-10-6-9(13(14)15)7(11)5-8(10)12/h5-6H,3-4H2,1-2H3"	"BEIVXARPXIPOLT-UHFFFAOYSA-N"	"?"
"3015"	"93-92-5"	"(+/-)-alpha-Methylbenzyl acetate"	"DTXSID6041636"	"CC(=O)OC(C)C1C=CC=CC=1"	"InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3"	"QUMXDOLUJCHOAY-UHFFFAOYSA-N"	"?"
"3016"	"7617-78-9"	"1-Propanamine, 3-(decyloxy)-"	"DTXSID0064751"	"CCCCCCCCCCOCCCN"	"InChI=1S/C13H29NO/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h2-14H2,1H3"	"TWXCJZHSMRBNGO-UHFFFAOYSA-N"	"?"
"3017"	"6263-37-2"	"Urea, N-(3,4-dichlorophenyl)-N-hydroxy-N'-methyl-"	"DTXSID0064179"	"CNC(=O)N(O)C1C=C(Cl)C(Cl)=CC=1"	"InChI=1S/C8H8Cl2N2O2/c1-11-8(13)12(14)5-2-3-6(9)7(10)4-5/h2-4,14H,1H3,(H,11,13)"	"BDEVAORUDIRFGE-UHFFFAOYSA-N"	"?"
"3018"	"13101-26-3"	"Guanidine, N-cyano-N'-(hydroxymethyl)-"	"DTXSID0065351"	"N=C(NCO)NC#N"	"InChI=1S/C3H6N4O/c4-1-6-3(5)7-2-8/h8H,2H2,(H3,5,6,7)"	"XFIZJENETBUYNB-UHFFFAOYSA-N"	"?"
"3019"	"10132-98-6"	"1-Naphthalenesulfonic acid, 6-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-5-hydroxy-, monosodium salt"	"DTXSID0064963"	"[O-][N+](=O)C1=CC(Cl)=C(O)C(=C1)N=NC1=CC=C2C(=CC=CC2=C1O)S(O)(=O)=O"	"InChI=1S/C16H10ClN3O7S/c17-11-6-8(20(23)24)7-13(16(11)22)19-18-12-5-4-9-10(15(12)21)2-1-3-14(9)28(25,26)27/h1-7,21-22H,(H,25,26,27)"	"PLPTZWWIXGTJFI-UHFFFAOYSA-N"	"[Na+]"
"3020"	"14255-87-9"	"Parbendazole"	"DTXSID0045410"	"CCCCC1=CC2N=C(NC=2C=C1)NC(=O)OC"	"InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)"	"YRWLZFXJFBZBEY-UHFFFAOYSA-N"	"?"
"3021"	"28556-81-2"	"Benzene, 2-isocyanato-1,3-dimethyl-"	"DTXSID0067397"	"CC1C=CC=C(C)C=1N=C=O"	"InChI=1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3"	"YQLRKXVEALTVCZ-UHFFFAOYSA-N"	"?"
"3022"	"4497-05-6"	"Tetradecanophenone"	"DTXSID0063496"	"CCCCCCCCCCCCCC(=O)C1C=CC=CC=1"	"InChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3"	"LXUIUVLDNRQBQJ-UHFFFAOYSA-N"	"?"
"3023"	"50670-50-3"	"[1,1'-Biphenyl]-4-carbonitrile, 4'-methyl-"	"DTXSID0068573"	"CC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"InChI=1S/C14H11N/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14/h2-9H,1H3"	"QIBWMVSMTSYUSK-UHFFFAOYSA-N"	"?"
"3024"	"302-22-7"	"Chlormadinone acetate"	"DTXSID6020274"	"CC12CCC3C(C=C(Cl)C4=CC(=O)CCC43C)C1CCC2(OC(C)=O)C(C)=O"	"InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3"	"QMBJSIBWORFWQT-UHFFFAOYSA-N"	"?"
"3025"	"2160-94-3"	"3-Cyclohexene-1,1-dimethanol"	"DTXSID40175968"	"OCC1(CC=CCC1)CO"	"InChI=1S/C8H14O2/c9-6-8(7-10)4-2-1-3-5-8/h1-2,9-10H,3-7H2"	"YXEBFFWTZWGHEY-UHFFFAOYSA-N"	"?"
"3026"	"34375-33-2"	"Benzenesulfonic acid, 3,3'-[carbonylbis(imino-4,1-phenyleneazo)]bis-"	"DTXSID0067840"	"OS(=O)(=O)C1=CC(=CC=C1)N=NC1C=CC(=CC=1)NC(=O)NC1C=CC(=CC=1)N=NC1C=C(C=CC=1)S(O)(=O)=O"	"InChI=1S/C25H20N6O7S2/c32-25(26-17-7-11-19(12-8-17)28-30-21-3-1-5-23(15-21)39(33,34)35)27-18-9-13-20(14-10-18)29-31-22-4-2-6-24(16-22)40(36,37)38/h1-16H,(H2,26,27,32)(H,33,34,35)(H,36,37,38)"	"ISYRIUFIGSOPIM-UHFFFAOYSA-N"	"?"
"3027"	"141-82-2"	"Propanedioic acid"	"DTXSID7021659"	"OC(=O)CC(O)=O"	"InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)"	"OFOBLEOULBTSOW-UHFFFAOYSA-N"	"?"
"3028"	"4058-26-8"	"Ethenesulfonic acid, ethyl ester"	"DTXSID0063280"	"CCOS(=O)(=O)C=C"	"InChI=1S/C4H8O3S/c1-3-7-8(5,6)4-2/h4H,2-3H2,1H3"	"MWFJXRUUPWIALU-UHFFFAOYSA-N"	"?"
"3029"	"2365-48-2"	"Methyl thioglycolate"	"DTXSID0033673"	"COC(=O)CS"	"InChI=1S/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3"	"MKIJJIMOAABWGF-UHFFFAOYSA-N"	"?"
"3030"	"78-93-3"	"Methyl ethyl ketone"	"DTXSID3021516"	"CCC(C)=O"	"InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3"	"ZWEHNKRNPOVVGH-UHFFFAOYSA-N"	"?"
"3031"	"52364-73-5"	"[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-"	"DTXSID9068748"	"CCCCCCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"InChI=1S/C21H25NO/c1-2-3-4-5-6-7-16-23-21-14-12-20(13-15-21)19-10-8-18(17-22)9-11-19/h8-15H,2-7,16H2,1H3"	"GPGGNNIMKOVSAG-UHFFFAOYSA-N"	"?"
"3032"	"825-56-9"	"1,3,4-Oxadiazole, 2-phenyl-"	"DTXSID80231799"	"C1=NN=C(O1)C1C=CC=CC=1"	"InChI=1S/C8H6N2O/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-6H"	"ZEOMRHKTIYBETG-UHFFFAOYSA-N"	"?"
"3033"	"79-24-3"	"Nitroethane"	"DTXSID8020969"	"CC[N+]([O-])=O"	"InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3"	"MCSAJNNLRCFZED-UHFFFAOYSA-N"	"?"
"3034"	"125971-95-1"	"tert-Butyl [(4R,6R)-6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate"	"DTXSID70436296"	"CC(C)(C)OC(=O)CC1CC(CCN2C(C(C)C)=C(C(=C2C2=CC=C(F)C=C2)C2C=CC=CC=2)C(=O)NC2C=CC=CC=2)OC(C)(C)O1"	"InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)"	"NPPZOMYSGNZDKY-UHFFFAOYSA-N"	"?"
"3035"	"3277-26-7"	"1,1,3,3-Tetramethyldisiloxane"	"DTXSID3052010"	"C[SiH](C)O[SiH](C)C"	"InChI=1S/C4H14OSi2/c1-6(2)5-7(3)4/h6-7H,1-4H3"	"NVYQDQZEMGUESH-UHFFFAOYSA-N"	"?"
"3036"	"31328-28-6"			"CC1CNCCN1SC=S"	"InChI=1S/C6H12N2S2/c1-6-4-7-2-3-8(6)10-5-9/h5-7H,2-4H2,1H3"	"HHTLNCAVEAKGOY-UHFFFAOYSA-N"	"?"
"3037"	"59443-94-6"	"Benzenepropanenitrile, 4-amino-.beta.-oxo-"	"DTXSID0069331"	"NC1=CC=C(C=C1)C(=O)CC#N"	"InChI=1S/C9H8N2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5,11H2"	"BEWGVKVWWKCFHO-UHFFFAOYSA-N"	"?"
"3038"	"14002-21-2"	"Methanol, (dimethylamino)-"	"DTXSID0065692"	"CN(C)CO"	"InChI=1S/C3H9NO/c1-4(2)3-5/h5H,3H2,1-2H3"	"XQKRYBXCYCKQLL-UHFFFAOYSA-N"	"?"
"3039"	"51022-74-3"	"Biliscopin"	"DTXSID3048782"	"OC(=O)C1C(I)=C(NC(=O)COCCOCCOCC(=O)NC2=C(I)C(=C(I)C=C2I)C(O)=O)C(I)=CC=1I"	"InChI=1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)"	"JXMIBUGMYLQZGO-UHFFFAOYSA-N"	"?"
"3040"	"6054-99-5"	"Benzoic acid, 2-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt"	"DTXSID0064098"	"OC(=O)C1=CC(=CC=C1O)N=NC1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C13H10N2O6S/c16-12-6-3-9(7-11(12)13(17)18)15-14-8-1-4-10(5-2-8)22(19,20)21/h1-7,16H,(H,17,18)(H,19,20,21)"	"MXCDRFGKHNFKIP-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3041"	"51934-76-0"			"CC(=NC1=C(I)C=C(I)C(=C1I)C(=O)NCC(C)C(O)=O)N1CCOCC1"	"InChI=1S/C17H20I3N3O4/c1-9(17(25)26)8-21-16(24)13-11(18)7-12(19)15(14(13)20)22-10(2)23-3-5-27-6-4-23/h7,9H,3-6,8H2,1-2H3,(H,21,24)(H,25,26)"	"OUMSIYHSIIRHKR-UHFFFAOYSA-N"	"?"
"3042"	"53306-53-9"			"CC(CCC)CCOC(=O)C1C=CC=CC=1C(=O)OCCC(C)CCC"	"InChI=1S/C22H34O4/c1-5-9-17(3)13-15-25-21(23)19-11-7-8-12-20(19)22(24)26-16-14-18(4)10-6-2/h7-8,11-12,17-18H,5-6,9-10,13-16H2,1-4H3"	"PLVCZTJOXIYQSA-UHFFFAOYSA-N"	"?"
"3043"	"20858-12-2"	"1H-Imidazole, 2,2'-[azobis(1-methylethylidene)]bis[4,5-dihydro-"	"DTXSID0066662"	"CC(C)(N=NC(C)(C)C1NCCN=1)C1NCCN=1"	"InChI=1S/C12H22N6/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10/h5-8H2,1-4H3,(H,13,14)(H,15,16)"	"LWMFAFLIWMPZSX-UHFFFAOYSA-N"	"?"
"3044"	"4711-68-6"	"2-Naphthalenecarboxamide, N-(4-ethoxyphenyl)-3-hydroxy-"	"DTXSID5063570"	"CCOC1C=CC(=CC=1)NC(=O)C1=CC2C=CC=CC=2C=C1O"	"InChI=1S/C19H17NO3/c1-2-23-16-9-7-15(8-10-16)20-19(22)17-11-13-5-3-4-6-14(13)12-18(17)21/h3-12,21H,2H2,1H3,(H,20,22)"	"FYJKEJZGNQVNLC-UHFFFAOYSA-N"	"?"
"3045"	"111-40-0"	"Diethylenetriamine"	"DTXSID2025050"	"NCCNCCN"	"InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2"	"RPNUMPOLZDHAAY-UHFFFAOYSA-N"	"?"
"3046"	"12389-75-2"	"Ferrate(2-), [rel-[N(R)]-N-[2-[bis[(carboxy-.kappa.O)methyl]amino-.kappa.N]ethyl]-N-[2-[(S)-[(carboxy-.kappa.O)methyl](carboxymethyl)amino-.kappa.N]ethyl]glycinato(5-)-.kappa.N,.kappa.O]-, sodium hydrogen (1:1:1), (PB-7-13-12564)-"	"DTXSID0065305"	"OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)"	"QPCDCPDFJACHGM-UHFFFAOYSA-N"	"[Fe+3].[Na+]"
"3047"	"154279-60-4"	"Cyclohexanamine, 4,4'-methylenebis[N-(1-methylpropyl)-"	"DTXSID80870021"	"CC(CC)NC1CCC(CC2CCC(CC2)NC(C)CC)CC1"	"InChI=1S/C21H42N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h16-23H,5-15H2,1-4H3"	"PICLBAFTFYTURY-UHFFFAOYSA-N"	"?"
"3048"	"128-50-7"	"Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-"	"DTXSID10861780"	"CC1(C)C2CC1CC=C2CCO"	"InChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3"	"ROKSAUSPJGWCSM-UHFFFAOYSA-N"	"?"
"3049"	"28480-77-5"	"Benzenamine, 4-[(4-aminocyclohexyl)methyl]-"	"DTXSID0067391"	"NC1C=CC(CC2CCC(N)CC2)=CC=1"	"InChI=1S/C13H20N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-2,5-6,11,13H,3-4,7-9,14-15H2"	"NRVOGWCXEOJNFS-UHFFFAOYSA-N"	"?"
"3050"	"14003-66-8"	"1H-Imidazole, 4-methyl-5-nitro-"	"DTXSID0065694"	"CC1N=CNC=1[N+]([O-])=O"	"InChI=1S/C4H5N3O2/c1-3-4(7(8)9)6-2-5-3/h2H,1H3,(H,5,6)"	"WSYOWIMKNNMEMZ-UHFFFAOYSA-N"	"?"
"3051"	"23328-87-2"	"1H-Imidazole, 2-heptadecyl-"	"DTXSID0066878"	"CCCCCCCCCCCCCCCCCC1NC=CN=1"	"InChI=1S/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h18-19H,2-17H2,1H3,(H,21,22)"	"YTWBFUCJVWKCCK-UHFFFAOYSA-N"	"?"
"3052"	"137521-47-2"			"CC(=O)C(N=NC1C=CC=CC=1)C(=O)NC"	"InChI=1S/C11H13N3O2/c1-8(15)10(11(16)12-2)14-13-9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,12,16)"	"LELJMRFUXBDBNM-UHFFFAOYSA-N"	"?"
"3053"	"29743-08-6"	"Benzenamine, 4-butyl-N-[(4-ethoxyphenyl)methylene]-"	"DTXSID0067505"	"CCOC1C=CC(C=NC2=CC=C(CCCC)C=C2)=CC=1"	"InChI=1S/C19H23NO/c1-3-5-6-16-7-11-18(12-8-16)20-15-17-9-13-19(14-10-17)21-4-2/h7-15H,3-6H2,1-2H3"	"DBOAVDSSZWDGTH-UHFFFAOYSA-N"	"?"
"3054"	"103201-78-1"	"trans-4-Cyclohexyl-L-proline"	"DTXSID70431160"	"OC(=O)C1CC(CN1)C1CCCCC1"	"InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)"	"XRZWVSXEDRYQGC-UHFFFAOYSA-N"	"?"
"3055"	"147-94-4"	"Cytarabine"	"DTXSID3022877"	"NC1C=CN(C2OC(CO)C(O)C2O)C(=O)N=1"	"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)"	"UHDGCWIWMRVCDJ-UHFFFAOYSA-N"	"?"
"3056"	"3439-15-4"	"Disiloxane, pentamethyl(2-phenylethyl)-"	"DTXSID0063028"	"C[Si](C)(C)O[Si](C)(C)CCC1C=CC=CC=1"	"InChI=1S/C13H24OSi2/c1-15(2,3)14-16(4,5)12-11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3"	"STJDVFLIFYPTDX-UHFFFAOYSA-N"	"?"
"3057"	"106990-43-6"	"1,5,8,12-Tetrakis[4,6-bis(N-butyl-N-1,2,2,6,6-pentamethyl-4-piperidylamino)-1,3,5-triazin-2-yl]-1,5,8,12-tetraazadode..."	"DTXSID9047122"	"CC1(C)CC(CC(C)(C)N1C)N(CCCC)C1N=C(N=C(N=1)N(CCN(CCCNC1N=C(N=C(N=1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)C1=NC(=NC(=N1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)CCCNC1N=C(N=C(N=1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1"	"InChI=1S/C132H250N32/c1-49-57-71-157(97-81-117(9,10)147(41)118(11,12)82-97)109-135-105(136-110(143-109)158(72-58-50-2)98-83-119(13,14)148(42)120(15,16)84-98)133-67-65-69-155(107-139-113(161(75-61-53-5)101-89-125(25,26)151(45)126(27,28)90-101)145-114(140-107)162(76-62-54-6)102-91-127(29,30)152(46)128(31,32)92-102)79-80-156(108-141-115(163(77-63-55-7)103-93-129(33,34)153(47)130(35,36)94-103)146-116(142-108)164(78-64-56-8)104-95-131(37,38)154(48)132(39,40)96-104)70-66-68-134-106-137-111(159(73-59-51-3)99-85-121(17,18)149(43)122(19,20)86-99)144-112(138-106)160(74-60-52-4)100-87-123(21,22)150(44)124(23,24)88-100/h97-104H,49-96H2,1-48H3,(H,133,135,136,143)(H,134,137,138,144)"	"OWXXKGVQBCBSFJ-UHFFFAOYSA-N"	"?"
"3058"	"16832-62-5"	"1H-Azepine, 1-(2-benzothiazolylthio)hexahydro-"	"DTXSID0066119"	"C1CCCCCN1SC1=NC2=CC=CC=C2S1"	"InChI=1S/C13H16N2S2/c1-2-6-10-15(9-5-1)17-13-14-11-7-3-4-8-12(11)16-13/h3-4,7-8H,1-2,5-6,9-10H2"	"RTFZYCYHJXKQHW-UHFFFAOYSA-N"	"?"
"3059"	"37051-42-6"	"Benzoic acid, 2,2'-(dioxydicarbonyl)bis-"	"DTXSID0068020"	"OC(=O)C1C=CC=CC=1C(=O)OOC(=O)C1C=CC=CC=1C(O)=O"	"InChI=1S/C16H10O8/c17-13(18)9-5-1-3-7-11(9)15(21)23-24-16(22)12-8-4-2-6-10(12)14(19)20/h1-8H,(H,17,18)(H,19,20)"	"DEQYKFQEQDSGBB-UHFFFAOYSA-N"	"?"
"3060"	"1866-15-5"	"Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide (1:1)"	"DTXSID50883764"	"CC(=O)SCC[N+](C)(C)C"	"InChI=1S/C7H16NOS/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1"	"GFFIJCYHQYHUHB-UHFFFAOYSA-N"	"[I-]"
"3061"	"3549-23-3"	"Benzeneacetic acid, 4-(1,1-dimethylethyl)-, methyl ester"	"DTXSID0063070"	"COC(=O)CC1=CC=C(C=C1)C(C)(C)C"	"InChI=1S/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3"	"HXVTYMWVMVKVTF-UHFFFAOYSA-N"	"?"
"3062"	"7194-84-5"	"Heptatriacontane"	"DTXSID0064591"	"CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC"	"InChI=1S/C37H76/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3"	"PXEZIKSRSYGOED-UHFFFAOYSA-N"	"?"
"3063"	"636-30-6"	"2,4,5-Trichloroaniline"	"DTXSID5044152"	"NC1=CC(Cl)=C(Cl)C=C1Cl"	"InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2"	"GUMCAKKKNKYFEB-UHFFFAOYSA-N"	"?"
"3064"	"41450-77-5"	"1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-"	"DTXSID0068313"	"N#CCCN1C(=C(C=O)C2=CC=CC=C12)C1C=CC=CC=1"	"InChI=1S/C18H14N2O/c19-11-6-12-20-17-10-5-4-9-15(17)16(13-21)18(20)14-7-2-1-3-8-14/h1-5,7-10,13H,6,12H2"	"SUPYBCMCZGDUBS-UHFFFAOYSA-N"	"?"
"3065"	"1242-28-0"	"3,5-Pyrazolidinedione, 1,2-bis(m-hydroxyphenyl)-4-butyl-"	"DTXSID40154238"	"CCCCC1C(=O)N(C2=CC(O)=CC=C2)N(C2=CC(O)=CC=C2)C1=O"	"InChI=1S/C19H20N2O4/c1-2-3-10-17-18(24)20(13-6-4-8-15(22)11-13)21(19(17)25)14-7-5-9-16(23)12-14/h4-9,11-12,17,22-23H,2-3,10H2,1H3"	"VKZRALJXXAVKJL-UHFFFAOYSA-N"	"?"
"3066"	"479-92-5"	"Propyphenazone"	"DTXSID6023529"	"CN1C(C)=C(C(C)C)C(=O)N1C1C=CC=CC=1"	"InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3"	"PXWLVJLKJGVOKE-UHFFFAOYSA-N"	"?"
"3067"	"10031-82-0"	"p-Ethoxybenzaldehyde"	"DTXSID7022251"	"CCOC1C=CC(C=O)=CC=1"	"InChI=1S/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3"	"JRHHJNMASOIRDS-UHFFFAOYSA-N"	"?"
"3068"	"20260-53-1"	"3-Pyridinecarbonyl chloride, hydrochloride"	"DTXSID0066583"	"O=C(Cl)C1C=CC=NC=1"	"InChI=1S/C6H4ClNO/c7-6(9)5-2-1-3-8-4-5/h1-4H"	"ATBIAJXSKNPHEI-UHFFFAOYSA-N"	"Cl"
"3069"	"7024-09-1"	"2,2-Bis(hydroxymethyl)butyl methacrylate"	"DTXSID0064545"	"CC(=C)C(=O)OCC(CO)(CO)CC"	"InChI=1S/C10H18O4/c1-4-10(5-11,6-12)7-14-9(13)8(2)3/h11-12H,2,4-7H2,1,3H3"	"HGOUNPXIJSDIKV-UHFFFAOYSA-N"	"?"
"3070"	"4442-79-9"	"Cyclohexaneethanol"	"DTXSID7063473"	"OCCC1CCCCC1"	"InChI=1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2"	"QJQZRLXDLORINA-UHFFFAOYSA-N"	"?"
"3071"	"50729-75-4"	"1,3,5-Triazine-2,4-diamine, 6-[2-(2-undecyl-1H-imidazol-1-yl)ethyl]-"	"DTXSID0068579"	"CCCCCCCCCCCC1=NC=CN1CCC1N=C(N)N=C(N)N=1"	"InChI=1S/C19H33N7/c1-2-3-4-5-6-7-8-9-10-11-17-22-13-15-26(17)14-12-16-23-18(20)25-19(21)24-16/h13,15H,2-12,14H2,1H3,(H4,20,21,23,24,25)"	"QZDGTFKTHGKXEP-UHFFFAOYSA-N"	"?"
"3072"	"6606-66-2"	"2-Propenoic acid, 2-cyano-, propyl ester"	"DTXSID0064418"	"CCCOC(=O)C(=C)C#N"	"InChI=1S/C7H9NO2/c1-3-4-10-7(9)6(2)5-8/h2-4H2,1H3"	"ZTYMNUBYYQNBFP-UHFFFAOYSA-N"	"?"
"3073"	"79-94-7"	"3,3',5,5'-Tetrabromobisphenol A"	"DTXSID1026081"	"CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1"	"InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3"	"VEORPZCZECFIRK-UHFFFAOYSA-N"	"?"
"3074"	"32734-93-3"	"Dodecene, 1-chloro-"	"DTXSID0067711"	"CCCCCCCCCCC=CCl"	"InChI=1S/C12H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h11-12H,2-10H2,1H3"	"TWZIVEXYNWAOMT-UHFFFAOYSA-N"	"?"
"3075"	"4424-87-7"	"Benzo[1,2-c:4,5-c']diacridine-6,9,15,18(5H,14H)-tetrone"	"DTXSID0063448"	"OC1C2=CC=C3C(=C2N=C2C=CC=CC=12)C(=O)C1=CC=C2C(N=C4C=CC=CC4=C2O)=C1C3=O"	"InChI=1S/C28H14N2O4/c31-25-13-5-1-3-7-19(13)29-23-17(25)11-9-15-21(23)27(33)16-10-12-18-24(22(16)28(15)34)30-20-8-4-2-6-14(20)26(18)32/h1-12H,(H,29,31)(H,30,32)"	"KLCBMAACUWYFIZ-UHFFFAOYSA-N"	"?"
"3076"	"21649-57-0"	"Carbenicillin Phenyl Sodium"	"DTXSID40176036"	"CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)C(=O)OC3C=CC=CC=3)C(=O)N2C1C(O)=O"	"InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)"	"NZDASSHFKWDBBU-UHFFFAOYSA-N"	"[Na+]"
"3077"	"34449-89-3"	"1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-"	"DTXSID0067846"	"CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C8H10F9NO3S/c1-2-18(3-4-19)22(20,21)8(16,17)6(11,12)5(9,10)7(13,14)15/h19H,2-4H2,1H3"	"ZSBOIPHQFKYRMG-UHFFFAOYSA-N"	"?"
"3078"	"13484-13-4"			"C1OC1C1C=C2OC2=CC=1"	"InChI=1S/C8H6O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h1-3,8H,4H2"	"ASZDXZKUBDYMPZ-UHFFFAOYSA-N"	"?"
"3079"	"30415-45-3"	"1H-Naphth[2,3-f]isoindole-1,5,10-trione, 4,11-diamino-2-(2-butoxyethyl)-2,3-dihydro-3-imino-"	"DTXSID0067557"	"CCCCOCCN1C(=N)C2C(C1=O)=C(N)C1=C(C(=O)C3=CC=CC=C3C1=O)C=2N"	"InChI=1S/C22H22N4O4/c1-2-3-9-30-10-8-26-21(25)15-16(22(26)29)18(24)14-13(17(15)23)19(27)11-6-4-5-7-12(11)20(14)28/h4-7,25H,2-3,8-10,23-24H2,1H3"	"UECNRPKDQBDEFZ-UHFFFAOYSA-N"	"?"
"3080"	"51583-69-8"	"2-Methyl-1-(3-sulfopropyl)quinolinium hydroxide, inner salt"	"DTXSID0068650"	"CC1C=CC2=CC=CC=C2[N+]=1CCCS([O-])(=O)=O"	"InChI=1S/C13H15NO3S/c1-11-7-8-12-5-2-3-6-13(12)14(11)9-4-10-18(15,16)17/h2-3,5-8H,4,9-10H2,1H3"	"XOQBXKBUTMRNQS-UHFFFAOYSA-N"	"?"
"3081"	"10232-90-3"			"CC1COC(O1)C(Cl)CCl"	"InChI=1S/C6H10Cl2O2/c1-4-3-9-6(10-4)5(8)2-7/h4-6H,2-3H2,1H3"	"BNSRVFGXRITOQK-UHFFFAOYSA-N"	"?"
"3082"	"57371-42-3"	"Benzyl eugenol"	"DTXSID0069179"	"COC1C=C(CC=C)C=CC=1OCC1C=CC=CC=1"	"InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-6,8-12H,1,7,13H2,2H3"	"NSCLRALYUOMPCL-UHFFFAOYSA-N"	"?"
"3083"	"131707-23-8"			"CN(C)CC1C(O)=C(Br)C=C2C=1C(=C(CSC1C=CC=CC=1)N2C)C(=O)OCC"	"InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3"	"KCFYEAOKVJSACF-UHFFFAOYSA-N"	"Cl"
"3084"	"4116-90-9"	"1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-bromo-2-methyl-"	"DTXSID0063311"	"CN1C(=O)C2C=CC(Br)=C3C=CC=C(C=23)C1=O"	"InChI=1S/C13H8BrNO2/c1-15-12(16)8-4-2-3-7-10(14)6-5-9(11(7)8)13(15)17/h2-6H,1H3"	"YOQFUJMBLJZBNE-UHFFFAOYSA-N"	"?"
"3085"	"76932-60-0"	"Nafarelin acetate"	"DTXSID50227720"	"CC(C)CC(NC(=O)C(CC1=CC=C2C=CC=CC2=C1)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O"	"InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)"	"RWHUEXWOYVBUCI-UHFFFAOYSA-N"	"OC(=O)C"
"3086"	"99105-77-8"	"Sulcotrione"	"DTXSID9058230"	"CS(=O)(=O)C1C=C(Cl)C(=CC=1)C(=O)C1C(=O)CCCC1=O"	"InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3"	"PQTBTIFWAXVEPB-UHFFFAOYSA-N"	"?"
"3087"	"49583-83-7"	"1H-Indene-2-carboxylic acid, 2,3-dihydro-1,3-dioxo-, ethyl ester, ion(1-), sodium"	"DTXSID0068498"	"CCOC(=O)C1C(=O)C2=CC=CC=C2C1=O"	"InChI=1S/C12H10O4/c1-2-16-12(15)9-10(13)7-5-3-4-6-8(7)11(9)14/h3-6,9H,2H2,1H3"	"PVCYZWDBTRWGCB-UHFFFAOYSA-N"	"[Na+]"
"3088"	"142-59-6"	"Nabam-sodium"	"DTXSID5020603"	"SC(=S)NCCNC(S)=S"	"InChI=1S/C4H8N2S4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H2,5,7,8)(H2,6,9,10)"	"AWYFNIZYMPNGAI-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3089"	"538-65-8"	"Butyl cinnamate"	"DTXSID0060226"	"CCCCOC(=O)C=CC1C=CC=CC=1"	"InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3"	"OHHIVLJVBNCSHV-UHFFFAOYSA-N"	"?"
"3090"	"99464-64-9"	"Ampiroxicam"	"DTXSID6046474"	"CCOC(=O)OC(C)OC1=C(C(=O)NC2=CC=CC=N2)N(C)S(=O)(=O)C2=CC=CC=C21"	"InChI=1S/C20H21N3O7S/c1-4-28-20(25)30-13(2)29-18-14-9-5-6-10-15(14)31(26,27)23(3)17(18)19(24)22-16-11-7-8-12-21-16/h5-13H,4H2,1-3H3,(H,21,22,24)"	"LSNWBKACGXCGAJ-UHFFFAOYSA-N"	"?"
"3091"	"6148-75-0"	"Benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt"	"DTXSID0064125"	"CC1C=C(C)C=C(C)C=1S(O)(=O)=O"	"InChI=1S/C9H12O3S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H,10,11,12)"	"LXFQSRIDYRFTJW-UHFFFAOYSA-N"	"[Na+]"
"3092"	"17980-64-2"	"2,5,7,10-Tetraoxa-6-silaundecane, 6-(2-methoxyethoxy)-6-methyl-"	"DTXSID0066292"	"C[Si](OCCOC)(OCCOC)OCCOC"	"InChI=1S/C10H24O6Si/c1-11-5-8-14-17(4,15-9-6-12-2)16-10-7-13-3/h5-10H2,1-4H3"	"OLTVTFUBQOLTND-UHFFFAOYSA-N"	"?"
"3093"	"25088-69-1"	"Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-, dipotassium salt"	"DTXSID0067054"	"OC1C=CC(=CC=1)C(C1C=CC(O)=CC=1)(C(F)(F)F)C(F)(F)F"	"InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H"	"ZFVMWEVVKGLCIJ-UHFFFAOYSA-N"	"[K+].[K+]"
"3094"	"75-89-8"	"2,2,2-Trifluoroethanol"	"DTXSID0021751"	"OCC(F)(F)F"	"InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2"	"RHQDFWAXVIIEBN-UHFFFAOYSA-N"	"?"
"3095"	"109736-10-9"			"COc1cc2oc(=O)c(c(c2cc1)C1C=CC(=CC=1)OCC(O)CNCCCC)C1C=CC=CC=1"	"InChI=1S/C29H31NO5/c1-3-4-16-30-18-22(31)19-34-23-12-10-21(11-13-23)27-25-15-14-24(33-2)17-26(25)35-29(32)28(27)20-8-6-5-7-9-20/h5-15,17,22,30-31H,3-4,16,18-19H2,1-2H3"	"LUOIYABVQOJGON-UHFFFAOYSA-N"	"?"
"3096"	"6696-47-5"			"COC1CC(OC(C)C1O)OC1C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C2(CO2)CC(C)C(OC2OC(C)CC(C2O)N(C)C)C1C"	"InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3"	"RZPAKFUAFGMUPI-UHFFFAOYSA-N"	"Cl"
"3097"	"2177-22-2"	"Oxetane, 3-(chloromethyl)-3-ethyl-"	"DTXSID10176169"	"CCC1(CCl)COC1"	"InChI=1S/C6H11ClO/c1-2-6(3-7)4-8-5-6/h2-5H2,1H3"	"UKLWXKWTXHHMFK-UHFFFAOYSA-N"	"?"
"3098"	"48076-38-6"	"2-Propenoic acid, eicosyl ester"	"DTXSID0068494"	"CCCCCCCCCCCCCCCCCCCCOC(=O)C=C"	"InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(24)4-2/h4H,2-3,5-22H2,1H3"	"NGYRYRBDIPYKTL-UHFFFAOYSA-N"	"?"
"3099"	"16558-32-0"	"Benzenesulfonamide, 4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]azo]-3-chloro-N-(2-chloroethyl)-"	"DTXSID0066080"	"CC1C=C(C=CC=1N=NC1=CC=C(C=C1Cl)S(=O)(=O)NCCCl)N(CCO)CCO"	"InChI=1S/C19H24Cl2N4O4S/c1-14-12-15(25(8-10-26)9-11-27)2-4-18(14)23-24-19-5-3-16(13-17(19)21)30(28,29)22-7-6-20/h2-5,12-13,22,26-27H,6-11H2,1H3"	"IQJLIBJIBFXYCA-UHFFFAOYSA-N"	"?"
"3100"	"4586-22-5"	"4,8-Methanoazulen-9-ol, decahydro-2,2,4,8-tetramethyl-, stereoisomer"	"DTXSID0063529"	"CC1(C)CC2C(C1)C1(C)CCCC2(C)C1O"	"InChI=1S/C15H26O/c1-13(2)8-10-11(9-13)15(4)7-5-6-14(10,3)12(15)16/h10-12,16H,5-9H2,1-4H3"	"MJYUBUQHKCAJQR-UHFFFAOYSA-N"	"?"
"3101"	"144-55-8"	"Sodium bicarbonate"	"DTXSID9021269"	"OC(O)=O"	"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)"	"BVKZGUZCCUSVTD-UHFFFAOYSA-N"	"[Na+]"
"3102"	"505-29-3"	"1,4-Dithiane"	"DTXSID3024077"	"C1CSCCS1"	"InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2"	"LOZWAPSEEHRYPG-UHFFFAOYSA-N"	"?"
"3103"	"4746-61-6"			"OC(C=O)NC1C=CC=CC=1"	"InChI=1S/C8H9NO2/c10-6-8(11)9-7-4-2-1-3-5-7/h1-6,8-9,11H"	"AXZRKUNEILMCTH-UHFFFAOYSA-N"	"?"
"3104"	"14663-73-1"	"Ethanol, 2-[2-(tridecyloxy)ethoxy]-"	"DTXSID0065804"	"CCCCCCCCCCCCCOCCOCCO"	"InChI=1S/C17H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-16-17-20-15-13-18/h18H,2-17H2,1H3"	"RTRMBXZHMWADJB-UHFFFAOYSA-N"	"?"
"3105"	"19433-82-0"			"CCCCN(N=O)C1C=CC(=CC=1)N(CCCC)N=O"	"InChI=1S/C14H22N4O2/c1-3-5-11-17(15-19)13-7-9-14(10-8-13)18(16-20)12-6-4-2/h7-10H,3-6,11-12H2,1-2H3"	"RJJJIBJBIYMDEC-UHFFFAOYSA-N"	"?"
"3106"	"5358-06-5"	"Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester"	"DTXSID0063814"	"COC(=O)C1=C(C#N)C(Cl)=C(Cl)C(Cl)=C1Cl"	"InChI=1S/C9H3Cl4NO2/c1-16-9(15)4-3(2-14)5(10)7(12)8(13)6(4)11/h1H3"	"XYQXGZLLGNQFSL-UHFFFAOYSA-N"	"?"
"3107"	"25122-57-0"	"Clobetasone butyrate"	"DTXSID3046823"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(=O)CC2(C)C1(OC(=O)CCC)C(=O)CCl"	"InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3"	"FBRAWBYQGRLCEK-UHFFFAOYSA-N"	"?"
"3108"	"115-99-1"	"Linalyl formate"	"DTXSID2047642"	"CC(C)=CCCC(C)(C=C)OC=O"	"InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3"	"JZOCDHMHLGUPFI-UHFFFAOYSA-N"	"?"
"3109"	"60642-68-4"	"Pentanedioic acid, bis(2-mercaptoethyl) ester"	"DTXSID0069416"	"O=C(CCCC(=O)OCCS)OCCS"	"InChI=1S/C9H16O4S2/c10-8(12-4-6-14)2-1-3-9(11)13-5-7-15/h14-15H,1-7H2"	"UDUCJYFINGFFDE-UHFFFAOYSA-N"	"?"
"3110"	"42039-81-6"	"4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-2-thioxo-"	"DTXSID0068363"	"CCC1C(=O)NC(=S)NC1=O"	"InChI=1S/C6H8N2O2S/c1-2-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11)"	"BILGEDJBYOAIMI-UHFFFAOYSA-N"	"?"
"3111"	"20441-70-7"	"Hexadecanoic acid, 2-butoxyethyl ester"	"DTXSID0066612"	"CCCCCCCCCCCCCCCC(=O)OCCOCCCC"	"InChI=1S/C22H44O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22(23)25-21-20-24-19-6-4-2/h3-21H2,1-2H3"	"QSSAKBZMXVUORV-UHFFFAOYSA-N"	"?"
"3112"	"141573-96-8"	"3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl chloride"	"DTXSID70571737"	"CN1C=C(C(=O)Cl)C(=N1)C(F)F"	"InChI=1S/C6H5ClF2N2O/c1-11-2-3(5(7)12)4(10-11)6(8)9/h2,6H,1H3"	"MZGPCLIDFPCPTI-UHFFFAOYSA-N"	"?"
"3113"	"3021-22-5"	"Belophor"	"DTXSID80184312"	"OS(=O)(=O)C1C=CC(=CC=1)N1CCC(=N1)C1C=CC(Cl)=CC=1"	"InChI=1S/C15H13ClN2O3S/c16-12-3-1-11(2-4-12)15-9-10-18(17-15)13-5-7-14(8-6-13)22(19,20)21/h1-8H,9-10H2,(H,19,20,21)"	"XWBCFSPHSFEACS-UHFFFAOYSA-N"	"[Na+]"
"3114"	"6360-07-2"	"2-Naphthalenesulfonic acid, 5-[[4-(acetylamino)-2-sulfophenyl]azo]-6-amino-4-hydroxy-, disodium salt"	"DTXSID0064258"	"CC(=O)NC1C=C(C(=CC=1)N=NC1=C(N)C=CC2=CC(=CC(O)=C21)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C18H16N4O8S2/c1-9(23)20-11-3-5-14(16(7-11)32(28,29)30)21-22-18-13(19)4-2-10-6-12(31(25,26)27)8-15(24)17(10)18/h2-8,24H,19H2,1H3,(H,20,23)(H,25,26,27)(H,28,29,30)"	"IJPUPVHRAZCFRI-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3115"	"28880-24-2"	"Butanedioic acid, diisooctyl ester"	"DTXSID0067420"	"CC(C)CCCCCOC(=O)CCC(=O)OCCCCCC(C)C"	"InChI=1S/C20H38O4/c1-17(2)11-7-5-9-15-23-19(21)13-14-20(22)24-16-10-6-8-12-18(3)4/h17-18H,5-16H2,1-4H3"	"MQKXWEJVDDRQKK-UHFFFAOYSA-N"	"?"
"3116"	"14508-49-7"	"Pyrazine, chloro-"	"DTXSID0065779"	"ClC1C=NC=CN=1"	"InChI=1S/C4H3ClN2/c5-4-3-6-1-2-7-4/h1-3H"	"GELVZYOEQVJIRR-UHFFFAOYSA-N"	"?"
"3117"	"40465-45-0"	"Benzonitrile, 4-isocyanato-"	"DTXSID0068230"	"N#CC1C=CC(=CC=1)N=C=O"	"InChI=1S/C8H4N2O/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H"	"TVSXDZNUTPLDKY-UHFFFAOYSA-N"	"?"
"3118"	"31778-10-6"	"Benzoic acid, 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]azo]-, butyl ester"	"DTXSID9067645"	"CCCCOC(=O)C1C=CC=CC=1N=NC1=C(O)C(=CC2=CC=CC=C21)C(=O)NC1=CC2NC(=O)NC=2C=C1"	"InChI=1S/C29H25N5O5/c1-2-3-14-39-28(37)20-10-6-7-11-22(20)33-34-25-19-9-5-4-8-17(19)15-21(26(25)35)27(36)30-18-12-13-23-24(16-18)32-29(38)31-23/h4-13,15-16,35H,2-3,14H2,1H3,(H,30,36)(H2,31,32,38)"	"OFVRAFISISJRPV-UHFFFAOYSA-N"	"?"
"3119"	"38454-02-3"	"Benzoic acid, 4-butyl-, 4-[(4-butylphenoxy)carbonyl]phenyl ester"	"DTXSID0068103"	"CCCCC1C=CC(=CC=1)OC(=O)C1C=CC(=CC=1)OC(=O)C1C=CC(CCCC)=CC=1"	"InChI=1S/C28H30O4/c1-3-5-7-21-9-13-23(14-10-21)27(29)32-26-19-15-24(16-20-26)28(30)31-25-17-11-22(12-18-25)8-6-4-2/h9-20H,3-8H2,1-2H3"	"ACAXIUADIABHTE-UHFFFAOYSA-N"	"?"
"3120"	"20777-49-5"			"CC1CCC(CC1OC(C)=O)C(C)=C"	"InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3"	"TUSIZTVSUSBSQI-UHFFFAOYSA-N"	"?"
"3121"	"3508-98-3"	"2-Phenylhexanenitrile"	"DTXSID2052027"	"CCCCC(C#N)C1C=CC=CC=1"	"InChI=1S/C12H15N/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7H2,1H3"	"OTERUZJEJFMEEB-UHFFFAOYSA-N"	"?"
"3122"	"7223-38-3"	"2-Propyn-1-amine, N,N-dimethyl-"	"DTXSID0064599"	"CN(C)CC#C"	"InChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3"	"ILBIXZPOMJFOJP-UHFFFAOYSA-N"	"?"
"3123"	"16298-74-1"	"Phosphoric acid, dibutyl ester, sodium salt"	"DTXSID0066034"	"CCCCOP(O)(=O)OCCCC"	"InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)"	"JYFHYPJRHGVZDY-UHFFFAOYSA-N"	"[Na+]"
"3124"	"122-19-0"	"N,N-Dimethyl-N-octadecylbenzenemethanaminium chloride"	"DTXSID2025139"	"CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1C=CC=CC=1"	"InChI=1S/C27H50N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27/h19-21,23-24H,4-18,22,25-26H2,1-3H3/q+1"	"FWLORMQUOWCQPO-UHFFFAOYSA-N"	"[Cl-]"
"3125"	"28897-58-7"	"2-Hexenoic acid, 2-methyl-"	"DTXSID0067422"	"CC(=CCCC)C(O)=O"	"InChI=1S/C7H12O2/c1-3-4-5-6(2)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)"	"AKOVMBAFZSPEQU-UHFFFAOYSA-N"	"?"
"3126"	"28929-86-4"			"CCCCC(C)(C)O"	"InChI=1S/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3"	"KRIMXCDMVRMCTC-UHFFFAOYSA-N"	"?"
"3127"	"3460-67-1"	"Furonazide"	"DTXSID90876716"	"CC(N=NC(=O)C1C=CN=CC=1)C1=CC=CO1"	"InChI=1S/C12H11N3O2/c1-9(11-3-2-8-17-11)14-15-12(16)10-4-6-13-7-5-10/h2-9H,1H3"	"AIHYHMYCEKGZOH-UHFFFAOYSA-N"	"?"
"3128"	"124-18-5"	"Decane"	"DTXSID6024913"	"CCCCCCCCCC"	"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3"	"DIOQZVSQGTUSAI-UHFFFAOYSA-N"	"?"
"3129"	"4253-34-3"	"Methylsilanetriyl triacetate"	"DTXSID0027565"	"C[Si](OC(C)=O)(OC(C)=O)OC(C)=O"	"InChI=1S/C7H12O6Si/c1-5(8)11-14(4,12-6(2)9)13-7(3)10/h1-4H3"	"TVJPBVNWVPUZBM-UHFFFAOYSA-N"	"?"
"3130"	"3618-73-3"	"C.I. Disperse Blue 79 (Cl/methoxy)"	"DTXSID0063103"	"COC1=CC(N=NC2C(Cl)=CC(=CC=2[N+]([O-])=O)[N+]([O-])=O)=C(C=C1N(CCOC(C)=O)CCOC(C)=O)NC(C)=O"	"InChI=1S/C23H25ClN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)"	"VRTQJBZLCYJJCI-UHFFFAOYSA-N"	"?"
"3131"	"7300-34-7"	"1-Propanamine, 3,3'-[1,4-butanediylbis(oxy)]bis-"	"DTXSID0064622"	"NCCCOCCCCOCCCN"	"InChI=1S/C10H24N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-12H2"	"YOOSAIJKYCBPFW-UHFFFAOYSA-N"	"?"
"3132"	"17661-52-8"	"1-Propanesulfonic acid, 3,3'-dithiobis-"	"DTXSID0066240"	"OS(=O)(=O)CCCSSCCCS(O)(=O)=O"	"InChI=1S/C6H14O6S4/c7-15(8,9)5-1-3-13-14-4-2-6-16(10,11)12/h1-6H2,(H,7,8,9)(H,10,11,12)"	"LMPMFQXUJXPWSL-UHFFFAOYSA-N"	"?"
"3133"	"13489-81-1"	"Cyclohexanesulfonic acid, 1-hydroxy-, monosodium salt"	"DTXSID0065511"	"OC1(CCCCC1)S(O)(=O)=O"	"InChI=1S/C6H12O4S/c7-6(11(8,9)10)4-2-1-3-5-6/h7H,1-5H2,(H,8,9,10)"	"VVKSTZZZSJVYMI-UHFFFAOYSA-N"	"[Na+]"
"3134"	"25628-08-4"	"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate"	"DTXSID30880236"	"CC(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[N+](CC)(CC)CC"	"InChI=1S/C12H19F9NO3S/c1-5-22(6-2,7-3)8(4)25-26(23,24)12(20,21)10(15,16)9(13,14)11(17,18)19/h8H,5-7H2,1-4H3/q+1"	"YHJYQOPSLSJYOP-UHFFFAOYSA-N"	"?"
"3135"	"37924-13-3"	"Perfluidone"	"DTXSID3042267"	"CC1C=C(C=CC=1NS(=O)(=O)C(F)(F)F)S(=O)(=O)C1C=CC=CC=1"	"InChI=1S/C14H12F3NO4S2/c1-10-9-12(23(19,20)11-5-3-2-4-6-11)7-8-13(10)18-24(21,22)14(15,16)17/h2-9,18H,1H3"	"WHTBVLXUSXVMEV-UHFFFAOYSA-N"	"?"
"3136"	"10272-07-8"	"3,5-Dimethoxyaniline"	"DTXSID0065018"	"COC1C=C(N)C=C(C=1)OC"	"InChI=1S/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H3"	"WNRGWPVJGDABME-UHFFFAOYSA-N"	"?"
"3137"	"4125-43-3"	"Benzene, 1-methoxy-2-(2-propenyloxy)-"	"DTXSID0063315"	"COC1C=CC=CC=1OCC=C"	"InChI=1S/C10H12O2/c1-3-8-12-10-7-5-4-6-9(10)11-2/h3-7H,1,8H2,2H3"	"KWRBXILMRLLABD-UHFFFAOYSA-N"	"?"
"3138"	"470-90-6"	"Chlorfenvinphos"	"DTXSID7034250"	"CCOP(=O)(OC(=CCl)C1C=CC(Cl)=CC=1Cl)OCC"	"InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3"	"FSAVDKDHPDSCTO-UHFFFAOYSA-N"	"?"
"3139"	"51672-22-1"	"Pivalic acid 2-[(methylamino)thioxomethyl hydrazide]"	"DTXSID0068658"	"CNC(S)N=NC(=O)C(C)(C)C"	"InChI=1S/C7H15N3OS/c1-7(2,3)5(11)9-10-6(12)8-4/h6,8,12H,1-4H3"	"WMNJRMAAWSYQKT-UHFFFAOYSA-N"	"?"
"3140"	"42068-70-2"	"Carbonochloridic acid, 2-methyl-2-propenyl ester"	"DTXSID0068365"	"CC(=C)COC(=O)Cl"	"InChI=1S/C5H7ClO2/c1-4(2)3-8-5(6)7/h1,3H2,2H3"	"MGDDPXJDBGFXCY-UHFFFAOYSA-N"	"?"
"3141"	"7797-81-1"	"1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-hydroxy-"	"DTXSID0064884"	"ON1C(=O)C2C=CC=C3C=CC=C(C3=2)C1=O"	"InChI=1S/C12H7NO3/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13(11)16/h1-6,16H"	"KTWCUGUUDHJVIH-UHFFFAOYSA-N"	"?"
"3142"	"38487-86-4"	"Benzonitrile, 2-amino-4-chloro-"	"DTXSID0068109"	"NC1C=C(Cl)C=CC=1C#N"	"InChI=1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2"	"UZHALXIAWJOLLR-UHFFFAOYSA-N"	"?"
"3143"	"58470-85-2"	"2,6-Diamino-4(1H)-pyrimidinone sulfate"	"DTXSID0069254"	"NC1N=C(O)C=C(N)N=1"	"InChI=1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)"	"SWELIMKTDYHAOY-UHFFFAOYSA-N"	"S(O)(=O)(=O)O"
"3144"	"74441-05-7"	"C.I. Pigment Yellow 181"	"DTXSID3052486"	"CC(=O)C(N=NC1C=CC(=CC=1)C(=O)NC1C=CC(=CC=1)C(N)=O)C(=O)NC1C=C2NC(=O)NC2=CC=1"	"InChI=1S/C25H21N7O5/c1-13(33)21(24(36)28-18-10-11-19-20(12-18)30-25(37)29-19)32-31-17-8-4-15(5-9-17)23(35)27-16-6-2-14(3-7-16)22(26)34/h2-12,21H,1H3,(H2,26,34)(H,27,35)(H,28,36)(H2,29,30,37)"	"PXMLTVJEYHGPEH-UHFFFAOYSA-N"	"?"
"3145"	"3437-95-4"	"Thiophene, 2-iodo-"	"DTXSID0063026"	"IC1=CC=CS1"	"InChI=1S/C4H3IS/c5-4-2-1-3-6-4/h1-3H"	"ROIMNSWDOJCBFR-UHFFFAOYSA-N"	"?"
"3146"	"18018-34-3"	"1H-Benzimidazol-6-amine, 1-ethyl-2-methyl-5-(trifluoromethyl)-"	"DTXSID0066298"	"CC1=NC2=CC(=C(N)C=C2N1CC)C(F)(F)F"	"InChI=1S/C11H12F3N3/c1-3-17-6(2)16-9-4-7(11(12,13)14)8(15)5-10(9)17/h4-5H,3,15H2,1-2H3"	"CBCBTRZQTHHIST-UHFFFAOYSA-N"	"?"
"3147"	"168152-86-1"	"(1,2,4)Triazolo(1,5-a)pyrimidine, 7-propyl-5-(1-pyrrolidinyl)-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)4-yl)methyl)-"	"DTXSID30168521"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2N=NNN=2)C(=NC2=NC=NN21)N1CCCC1"	"InChI=1S/C26H27N9/c1-2-7-23-22(25(34-14-5-6-15-34)29-26-27-17-28-35(23)26)16-18-10-12-19(13-11-18)20-8-3-4-9-21(20)24-30-32-33-31-24/h3-4,8-13,17H,2,5-7,14-16H2,1H3,(H,30,31,32,33)"	"ALPWHNOWURKVDX-UHFFFAOYSA-N"	"?"
"3148"	"6358-63-0"	"Acetamide, N-(3-amino-2-hydroxy-5-nitrophenyl)-"	"DTXSID0064252"	"CC(=O)NC1C=C(C=C(N)C=1O)[N+]([O-])=O"	"InChI=1S/C8H9N3O4/c1-4(12)10-7-3-5(11(14)15)2-6(9)8(7)13/h2-3,13H,9H2,1H3,(H,10,12)"	"JBYMSNCIQHSWOD-UHFFFAOYSA-N"	"?"
"3149"	"42152-47-6"	"1,6-Octadiene, 7-methyl-"	"DTXSID0068367"	"CC(C)=CCCCC=C"	"InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h4,8H,1,5-7H2,2-3H3"	"UCKITPBQPGXDHV-UHFFFAOYSA-N"	"?"
"3150"	"5863-95-6"	"1,3-Naphthalenedisulfonic acid, 8-[[4-(acetylcyclohexylamino)phenyl]azo]-7-hydroxy-, disodium salt"	"DTXSID0064044"	"CC(=O)N(C1CCCCC1)C1C=CC(=CC=1)N=NC1C2C(C=CC=1O)=CC(=CC=2S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C24H25N3O8S2/c1-15(28)27(18-5-3-2-4-6-18)19-10-8-17(9-11-19)25-26-24-21(29)12-7-16-13-20(36(30,31)32)14-22(23(16)24)37(33,34)35/h7-14,18,29H,2-6H2,1H3,(H,30,31,32)(H,33,34,35)"	"BKZAXHGPUGPHDB-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3151"	"61171-34-4"	"4-Piperidinecarboxylic acid, 2,2,6,6-tetramethyl-, ethyl ester"	"DTXSID0069460"	"CCOC(=O)C1CC(C)(C)NC(C)(C)C1"	"InChI=1S/C12H23NO2/c1-6-15-10(14)9-7-11(2,3)13-12(4,5)8-9/h9,13H,6-8H2,1-5H3"	"IOFIIBRTXAPWLD-UHFFFAOYSA-N"	"?"
"3152"	"7598-80-3"			"OC(C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1"	"InChI=1S/C19H16O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-20H"	"WMFZVLIHQVUVGO-UHFFFAOYSA-N"	"?"
"3153"	"40538-81-6"	"1,2-Ethanediamine, N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-"	"DTXSID0068236"	"CN(C)CCNCCN(C)C"	"InChI=1S/C8H21N3/c1-10(2)7-5-9-6-8-11(3)4/h9H,5-8H2,1-4H3"	"JPJMSWSYYHNPLD-UHFFFAOYSA-N"	"?"
"3154"	"2570-26-5"	"Pentadecylamine"	"DTXSID8062529"	"CCCCCCCCCCCCCCCN"	"InChI=1S/C15H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-16H2,1H3"	"JPZYXGPCHFZBHO-UHFFFAOYSA-N"	"?"
"3155"	"10591-85-2"	"Tetrabenzylthiuram disulfide"	"DTXSID20872988"	"S=C(SSC(=S)N(CC1C=CC=CC=1)CC1C=CC=CC=1)N(CC1C=CC=CC=1)CC1C=CC=CC=1"	"InChI=1S/C30H28N2S4/c33-29(31(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35-36-30(34)32(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2"	"WITDFSFZHZYQHB-UHFFFAOYSA-N"	"?"
"3156"	"756-79-6"	"Dimethyl methylphosphonate"	"DTXSID0020494"	"CP(=O)(OC)OC"	"InChI=1S/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3"	"VONWDASPFIQPDY-UHFFFAOYSA-N"	"?"
"3157"	"32449-41-5"	"[1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 6-bromo-5-methyl-"	"DTXSID0067686"	"CC1=NC2=NC=NN2C(O)=C1Br"	"InChI=1S/C6H5BrN4O/c1-3-4(7)5(12)11-6(10-3)8-2-9-11/h2,12H,1H3"	"IUWBPTDPBVIOOI-UHFFFAOYSA-N"	"?"
"3158"	"62441-54-7"	"Fentrifanil"	"DTXSID0040331"	"[O-][N+](=O)C1=CC(=CC(=C1NC1=CC(=CC=C1Cl)C(F)(F)F)C(F)(F)F)[N+]([O-])=O"	"InChI=1S/C14H6ClF6N3O4/c15-9-2-1-6(13(16,17)18)3-10(9)22-12-8(14(19,20)21)4-7(23(25)26)5-11(12)24(27)28/h1-5,22H"	"FVJQBZVCJVMBIP-UHFFFAOYSA-N"	"?"
"3159"	"51592-06-4"	"Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 1,3,4,6-tetrachlorotetrahydro-3a,6a-diphenyl-"	"DTXSID0068652"	"O=C1N(Cl)C2(C3C=CC=CC=3)N(Cl)C(=O)N(Cl)C2(C2C=CC=CC=2)N1Cl"	"InChI=1S/C16H10Cl4N4O2/c17-21-13(25)23(19)16(12-9-5-2-6-10-12)15(21,11-7-3-1-4-8-11)22(18)14(26)24(16)20/h1-10H"	"FJQZXCPWAGYPSD-UHFFFAOYSA-N"	"?"
"3160"	"104-12-1"	"4-Chlorophenyl isocyanate"	"DTXSID7040732"	"O=C=NC1C=CC(Cl)=CC=1"	"InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H"	"ADAKRBAJFHTIEW-UHFFFAOYSA-N"	"?"
"3161"	"1532-04-3"	"Isovaleric acid, 4-piperidinocyclohexyl ester"	"DTXSID10165275"	"CC(C)CC(=O)OC1CCC(CC1)N1CCCCC1"	"InChI=1S/C16H29NO2/c1-13(2)12-16(18)19-15-8-6-14(7-9-15)17-10-4-3-5-11-17/h13-15H,3-12H2,1-2H3"	"IRYRSABDVVIVBD-UHFFFAOYSA-N"	"?"
"3162"	"54303-31-0"	"1-Propanamine, 3-(2-methoxyethoxy)-"	"DTXSID0068941"	"COCCOCCCN"	"InChI=1S/C6H15NO2/c1-8-5-6-9-4-2-3-7/h2-7H2,1H3"	"PWGVOCGNHYMDLS-UHFFFAOYSA-N"	"?"
"3163"	"4205-52-1"			"CCCCNP(=S)(OCC)SC1C=CC=CC=1"	"InChI=1S/C12H20NOPS2/c1-3-5-11-13-15(16,14-4-2)17-12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3,(H,13,16)"	"GHUZYBDYQPFVHL-UHFFFAOYSA-N"	"?"
"3164"	"98519-45-0"	"1H-Imidazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-, trans-"	"DTXSID90243626"	"CC1COC(CN2C=NC=C2)(O1)C1=CC2C=C(Cl)C=C(Cl)C=2O1"	"InChI=1S/C16H14Cl2N2O3/c1-10-7-21-16(23-10,8-20-3-2-19-9-20)14-5-11-4-12(17)6-13(18)15(11)22-14/h2-6,9-10H,7-8H2,1H3"	"VWKBREMZKXCAND-UHFFFAOYSA-N"	"?"
"3165"	"34395-72-7"	"Glycine, N-[3-(dodecylamino)propyl]-"	"DTXSID0067842"	"CCCCCCCCCCCCNCCCNCC(O)=O"	"InChI=1S/C17H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19-16-17(20)21/h18-19H,2-16H2,1H3,(H,20,21)"	"FDKNTODVCFVEDJ-UHFFFAOYSA-N"	"?"
"3166"	"681-71-0"	"S,S,S-Trimethyl phosphorotrithioate"	"DTXSID70218296"	"CSP(=O)(SC)SC"	"InChI=1S/C3H9OPS3/c1-6-5(4,7-2)8-3/h1-3H3"	"LDMSZRWIHYAPSV-UHFFFAOYSA-N"	"?"
"3167"	"944-73-0"	"1,3-Dimethyluric acid"	"DTXSID50241466"	"CN1C2NC(=O)NC=2C(=O)N(C)C1=O"	"InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)"	"OTSBKHHWSQYEHK-UHFFFAOYSA-N"	"?"
"3168"	"16294-75-0"	"14H-Anthra[2,1,9-mna]thioxanthen-14-one"	"DTXSID0066032"	"O=C1C2=CC=CC=C2C2=CC=C3SC4=CC=CC=C4C4=CC=C1C2=C43"	"InChI=1S/C23H12OS/c24-23-17-7-2-1-5-13(17)15-11-12-20-22-16(9-10-18(23)21(15)22)14-6-3-4-8-19(14)25-20/h1-12H"	"NVNWZZLOQBHTCW-UHFFFAOYSA-N"	"?"
"3169"	"27893-41-0"	"Benzaldehyde, 4-(heptyloxy)-"	"DTXSID0067345"	"CCCCCCCOC1C=CC(C=O)=CC=1"	"InChI=1S/C14H20O2/c1-2-3-4-5-6-11-16-14-9-7-13(12-15)8-10-14/h7-10,12H,2-6,11H2,1H3"	"YBCKMIZXHKVONZ-UHFFFAOYSA-N"	"?"
"3170"	"178928-70-6"	"Prothioconazole"	"DTXSID4034869"	"OC(CC1C=CC=CC=1Cl)(CN1NC=NC1=S)C1(Cl)CC1"	"InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)"	"MNHVNIJQQRJYDH-UHFFFAOYSA-N"	"?"
"3171"	"24613-65-8"	"Nonane, 1,9-diiodo-"	"DTXSID0067008"	"ICCCCCCCCCI"	"InChI=1S/C9H18I2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2"	"QVXLFUVDXDMDFE-UHFFFAOYSA-N"	"?"
"3172"	"39082-00-3"	"Butanamide, 4-chloro-3-oxo-N-phenyl-"	"DTXSID0068155"	"O=C(CCl)CC(=O)NC1C=CC=CC=1"	"InChI=1S/C10H10ClNO2/c11-7-9(13)6-10(14)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)"	"CJLSDBRIXZFCKV-UHFFFAOYSA-N"	"?"
"3173"	"20920-83-6"	".alpha.-Ethoxy-o-cresol"	"DTXSID0066664"	"CCOCC1C=CC=CC=1O"	"InChI=1S/C9H12O2/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,10H,2,7H2,1H3"	"GNNUWFUVNWRCEO-UHFFFAOYSA-N"	"?"
"3174"	"58473-41-9"	"Benzoic acid, 4-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-"	"DTXSID0069256"	"NC1C=CC(NC2C=CC(=CC=2)C(O)=O)=C2C=1C(=O)C1C=CC=CC=1C2=O"	"InChI=1S/C21H14N2O4/c22-15-9-10-16(23-12-7-5-11(6-8-12)21(26)27)18-17(15)19(24)13-3-1-2-4-14(13)20(18)25/h1-10,23H,22H2,(H,26,27)"	"FSQRTGQUTVRMNV-UHFFFAOYSA-N"	"?"
"3175"	"16588-67-3"	"Disperse Red 88"	"DTXSID1051775"	"CC1C=C(C=CC=1N=NC1=NC2=CC=C(C=C2S1)S(C)(=O)=O)N(CCC#N)CC"	"InChI=1S/C20H21N5O2S2/c1-4-25(11-5-10-21)15-6-8-17(14(2)12-15)23-24-20-22-18-9-7-16(29(3,26)27)13-19(18)28-20/h6-9,12-13H,4-5,11H2,1-3H3"	"IMWICXCTLULCFP-UHFFFAOYSA-N"	"?"
"3176"	"533-06-2"			"CC1C=CC=CC=1OCC(O)COC(N)=O"	"InChI=1S/C11H15NO4/c1-8-4-2-3-5-10(8)15-6-9(13)7-16-11(12)14/h2-5,9,13H,6-7H2,1H3,(H2,12,14)"	"KRPAJLYSLFNDOA-UHFFFAOYSA-N"	"?"
"3177"	"5421-27-2"	"10-Undecenoic acid, 2-methylpropyl ester"	"DTXSID0063860"	"CC(C)COC(=O)CCCCCCCCC=C"	"InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-15(16)17-13-14(2)3/h4,14H,1,5-13H2,2-3H3"	"YXJSBTYPYXKWDB-UHFFFAOYSA-N"	"?"
"3178"	"35473-23-5"	"Benzaldehyde, 4-[bis[2-(benzoyloxy)ethyl]amino]-2,5-dimethoxy-"	"DTXSID0067925"	"COC1=CC(=C(C=C1C=O)OC)N(CCOC(=O)C1C=CC=CC=1)CCOC(=O)C1C=CC=CC=1"	"InChI=1S/C27H27NO7/c1-32-24-18-23(25(33-2)17-22(24)19-29)28(13-15-34-26(30)20-9-5-3-6-10-20)14-16-35-27(31)21-11-7-4-8-12-21/h3-12,17-19H,13-16H2,1-2H3"	"MAQMCUSMXYSQAX-UHFFFAOYSA-N"	"?"
"3179"	"15080-58-7"	"Hexanedioic acid, bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester"	"DTXSID0065850"	"CC(COC(=O)CCCCC(=O)OCC(C)(CO)CO)(CO)CO"	"InChI=1S/C16H30O8/c1-15(7-17,8-18)11-23-13(21)5-3-4-6-14(22)24-12-16(2,9-19)10-20/h17-20H,3-12H2,1-2H3"	"WDEQESOPQKLMQF-UHFFFAOYSA-N"	"?"
"3180"	"57-39-6"	"Metepa"	"DTXSID5020815"	"CC1CN1P(=O)(N1CC1C)N1CC1C"	"InChI=1S/C9H18N3OP/c1-7-4-10(7)14(13,11-5-8(11)2)12-6-9(12)3/h7-9H,4-6H2,1-3H3"	"AVUYXHYHTTVPRX-UHFFFAOYSA-N"	"?"
"3181"	"371-40-4"	"4-Fluoroaniline"	"DTXSID9022027"	"NC1=CC=C(F)C=C1"	"InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2"	"KRZCOLNOCZKSDF-UHFFFAOYSA-N"	"?"
"3182"	"93460-30-1"	"1H-Pyrazole-1-carboxamide, N-(6-chlorohexyl)-3-methyl-"	"DTXSID40239433"	"CC1C=CN(N=1)C(=O)NCCCCCCCl"	"InChI=1S/C11H18ClN3O/c1-10-6-9-15(14-10)11(16)13-8-5-3-2-4-7-12/h6,9H,2-5,7-8H2,1H3,(H,13,16)"	"VLIMOHJRXUWFJR-UHFFFAOYSA-N"	"?"
"3183"	"51637-93-5"	"Carbonochloridic acid, octadecyl ester"	"DTXSID0068656"	"CCCCCCCCCCCCCCCCCCOC(=O)Cl"	"InChI=1S/C19H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21/h2-18H2,1H3"	"JQDURWGNZCVESS-UHFFFAOYSA-N"	"?"
"3184"	"26377-29-7"	"Phosphorodithioic acid, O,O-dimethyl ester, sodium salt"	"DTXSID1027897"	"COP(S)(=S)OC"	"InChI=1S/C2H7O2PS2/c1-3-5(6,7)4-2/h1-2H3,(H,6,7)"	"CZGGKXNYNPJFAX-UHFFFAOYSA-N"	"[Na+]"
"3185"	"6259-39-8"	"Benzenamine, 5-chloro-2-(4-chlorophenoxy)-, hydrochloride"	"DTXSID0064173"	"NC1C=C(Cl)C=CC=1OC1C=CC(Cl)=CC=1"	"InChI=1S/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,15H2"	"WLJSUJOESWTGEX-UHFFFAOYSA-N"	"Cl"
"3186"	"10396-10-8"	"Benzenesulfonic acid, 4-methyl-, 2-(aminocarbonyl)hydrazide"	"DTXSID0065062"	"CC1=CC=C(C=C1)S(=O)(=O)NNC(N)=O"	"InChI=1S/C8H11N3O3S/c1-6-2-4-7(5-3-6)15(13,14)11-10-8(9)12/h2-5,11H,1H3,(H3,9,10,12)"	"VRFNYSYURHAPFL-UHFFFAOYSA-N"	"?"
"3187"	"49564-57-0"	"Benzenesulfonamide, 4-amino-5-methoxy-N,2-dimethyl-"	"DTXSID0068496"	"CC1C=C(N)C(=CC=1S(=O)(=O)NC)OC"	"InChI=1S/C9H14N2O3S/c1-6-4-7(10)8(14-3)5-9(6)15(12,13)11-2/h4-5,11H,10H2,1-3H3"	"GWSQAGVGSHXRJK-UHFFFAOYSA-N"	"?"
"3188"	"60126-36-5"	"Benzoxazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)"	"DTXSID0069387"	"CC1OC2=CC=CC=C2[N+]=1CC"	"InChI=1S/C10H12NO/c1-3-11-8(2)12-10-7-5-4-6-9(10)11/h4-7H,3H2,1-2H3/q+1"	"PAWXTPSQTMYBSB-UHFFFAOYSA-N"	"C1=CC(S(=O)(=O)[O-])=CC=C1C"
"3189"	"43035-23-0"	"Benzenesulfonic acid, 4-[(3-aminobenzoyl)amino]-"	"DTXSID0068444"	"NC1C=C(C=CC=1)C(=O)NC1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C13H12N2O4S/c14-10-3-1-2-9(8-10)13(16)15-11-4-6-12(7-5-11)20(17,18)19/h1-8H,14H2,(H,15,16)(H,17,18,19)"	"WQASTRAMHCJTFP-UHFFFAOYSA-N"	"?"
"3190"	"14189-31-2"	"2,4-Octanedione, 1,1,1-trifluoro-7-methyl-"	"DTXSID0065723"	"CC(C)CCC(=O)CC(=O)C(F)(F)F"	"InChI=1S/C9H13F3O2/c1-6(2)3-4-7(13)5-8(14)9(10,11)12/h6H,3-5H2,1-2H3"	"CODKKBRZQLFZKF-UHFFFAOYSA-N"	"?"
"3191"	"41503-32-6"	"Benz[cd]indol-2(1H)-one, 6-bromo-1-ethyl-"	"DTXSID0068319"	"CCN1C(=O)C2=CC=CC3=C(Br)C=CC1=C32"	"InChI=1S/C13H10BrNO/c1-2-15-11-7-6-10(14)8-4-3-5-9(12(8)11)13(15)16/h3-7H,2H2,1H3"	"KHABYXGVKDDLGT-UHFFFAOYSA-N"	"?"
"3192"	"737-31-5"	"Diatrizoate sodium"	"DTXSID7022912"	"CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I"	"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)"	"YVPYQUNUQOZFHG-UHFFFAOYSA-N"	"[Na+]"
"3193"	"4245-76-5"	"N-Methyl-N'-nitroguanidine"	"DTXSID70195230"	"C/N=C(\N)/N[N+]([O-])=O"	"InChI=1S/C2H6N4O2/c1-4-2(3)5-6(7)8/h1H3,(H3,3,4,5)"	"XCXKNNGWSDYMMS-UHFFFAOYSA-N"	"?"
"3194"	"7643-08-5"	"10H-Phenothiazine, 2-(methylthio)-"	"DTXSID0064759"	"CSC1C=CC2SC3=CC=CC=C3NC=2C=1"	"InChI=1S/C13H11NS2/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3"	"OBVKBOLDEFIQDP-UHFFFAOYSA-N"	"?"
"3195"	"51492-90-1"	"5-Thiazolecarboxamide, N,N-dimethyl-4-phenyl-2-(3-pyridinyl)-, monohydrochloride"	"DTXSID90199477"	"CN(C)C(=O)C1SC(=NC=1C1C=CC=CC=1)C1C=NC=CC=1"	"InChI=1S/C17H15N3OS/c1-20(2)17(21)15-14(12-7-4-3-5-8-12)19-16(22-15)13-9-6-10-18-11-13/h3-11H,1-2H3"	"KJAHXHRALOUIDJ-UHFFFAOYSA-N"	"Cl"
"3196"	"54996-03-1"	"1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester"	"DTXSID0068991"	"CCOC(=O)C1CC(C)(C)NC(C)(C)C=1"	"InChI=1S/C12H21NO2/c1-6-15-10(14)9-7-11(2,3)13-12(4,5)8-9/h7,13H,6,8H2,1-5H3"	"AYTGFQNGBCEDCU-UHFFFAOYSA-N"	"?"
"3197"	"78110-38-0"	"Aztreonam"	"DTXSID0022640"	"CC1C(NC(=O)C(=NOC(C)(C)C(O)=O)C2=CSC(N)=N2)C(=O)N1S(O)(=O)=O"	"InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)"	"WZPBZJONDBGPKJ-UHFFFAOYSA-N"	"?"
"3198"	"70969-58-3"	"1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester"	"DTXSID60887773"	"CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C"	"InChI=1S/C16H28O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h11-14H,5-10H2,1-4H3"	"QUKHPBOCBWDYMW-UHFFFAOYSA-N"	"?"
"3199"	"13614-98-7"	"Minocycline hydrochloride"	"DTXSID8044545"	"CN(C)C1=CC=C(O)C2=C1CC1CC3C(C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O)N(C)C"	"InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)"	"DYKFCLLONBREIL-UHFFFAOYSA-N"	"Cl"
"3200"	"74039-02-4"	"2H-Naphtho(1,2-d)triazole-6,8-disulfonic acid, 2-(4'-amino-3'-sulfo-1,1'-biphenyl-4-yl)-, tripotassium salt"	"DTXSID10224912"	"NC1=CC=C(C=C1S(O)(=O)=O)C1C=CC(=CC=1)N1N=C2C=CC3C(=CC(=CC=3S(O)(=O)=O)S(O)(=O)=O)C2=N1"	"InChI=1S/C22H16N4O9S3/c23-18-7-3-13(9-21(18)38(33,34)35)12-1-4-14(5-2-12)26-24-19-8-6-16-17(22(19)25-26)10-15(36(27,28)29)11-20(16)37(30,31)32/h1-11H,23H2,(H,27,28,29)(H,30,31,32)(H,33,34,35)"	"YTSMYWNOFUYYDF-UHFFFAOYSA-N"	"[K+].[K+].[K+]"
"3201"	"20440-93-1"	"Benzenamine, 4-nitro-N,N-bis(4-nitrophenyl)-"	"DTXSID0066610"	"[O-][N+](=O)C1C=CC(=CC=1)N(C1C=CC(=CC=1)[N+]([O-])=O)C1C=CC(=CC=1)[N+]([O-])=O"	"InChI=1S/C18H12N4O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12H"	"LSNJBIDKQIRWRQ-UHFFFAOYSA-N"	"?"
"3202"	"15085-20-8"	"1H-Indene-4-carbonitrile, 2,3-dihydro-7-methyl-"	"DTXSID0065852"	"CC1C=CC(C#N)=C2CCCC2=1"	"InChI=1S/C11H11N/c1-8-5-6-9(7-12)11-4-2-3-10(8)11/h5-6H,2-4H2,1H3"	"DGRBGVCXMGQYPE-UHFFFAOYSA-N"	"?"
"3203"	"5736-94-7"	"Benzaldehyde, 4-(hexyloxy)-"	"DTXSID0063995"	"CCCCCCOC1C=CC(C=O)=CC=1"	"InChI=1S/C13H18O2/c1-2-3-4-5-10-15-13-8-6-12(11-14)7-9-13/h6-9,11H,2-5,10H2,1H3"	"GWXUVWKBVROFDM-UHFFFAOYSA-N"	"?"
"3204"	"41175-50-2"	"1H,5H-Benzo[ij]quinolizin-8-ol, 2,3,6,7-tetrahydro-"	"DTXSID0068286"	"OC1C=CC2CCCN3CCCC=1C3=2"	"InChI=1S/C12H15NO/c14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13/h5-6,14H,1-4,7-8H2"	"FOFUWJNBAQJABO-UHFFFAOYSA-N"	"?"
"3205"	"59583-77-6"	"Carbamic acid, (3,4-dichlorophenyl)-, 2-[butyl[4-(2,2-dicyanoethenyl)-3-methylphenyl]amino]ethyl ester"	"DTXSID0069337"	"CC1=CC(=CC=C1C=C(C#N)C#N)N(CCCC)CCOC(=O)NC1C=C(Cl)C(Cl)=CC=1"	"InChI=1S/C24H24Cl2N4O2/c1-3-4-9-30(21-7-5-19(17(2)12-21)13-18(15-27)16-28)10-11-32-24(31)29-20-6-8-22(25)23(26)14-20/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,29,31)"	"YCNGUBLHXKRMKK-UHFFFAOYSA-N"	"?"
"3206"	"17138-28-2"	"Benzeneacetic acid, 4-hydroxy-, ethyl ester"	"DTXSID0066165"	"CCOC(=O)CC1=CC=C(O)C=C1"	"InChI=1S/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3"	"HYUPPKVFCGIMDB-UHFFFAOYSA-N"	"?"
"3207"	"13508-53-7"	"Silane, (chloromethyl)ethoxydimethyl-"	"DTXSID0065515"	"CCO[Si](C)(C)CCl"	"InChI=1S/C5H13ClOSi/c1-4-7-8(2,3)5-6/h4-5H2,1-3H3"	"IGMQAYXTTRYCPZ-UHFFFAOYSA-N"	"?"
"3208"	"4500-01-0"	"9-Octadecenoic acid (9Z)-, 2-hydroxyethyl ester"	"DTXSID0063498"	"CCCCCCCCC=CCCCCCCCC(=O)OCCO"	"InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10,21H,2-8,11-19H2,1H3"	"MUHFRORXWCGZGE-UHFFFAOYSA-N"	"?"
"3209"	"17695-46-4"	"Butanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester"	"DTXSID0066246"	"CC1=CC(=O)OC2=CC(=CC=C12)OC(=O)CCC"	"InChI=1S/C14H14O4/c1-3-4-13(15)17-10-5-6-11-9(2)7-14(16)18-12(11)8-10/h5-8H,3-4H2,1-2H3"	"WKPUJZVCZXWKCK-UHFFFAOYSA-N"	"?"
"3210"	"10387-40-3"	"Ethanethioic acid, potassium salt"	"DTXSID0065060"	"CC(=O)S"	"InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)"	"DUYAAUVXQSMXQP-UHFFFAOYSA-N"	"[K+]"
"3211"	"23593-75-1"	"Clotrimazole"	"DTXSID7029871"	"ClC1C=CC=CC=1C(C1C=CC=CC=1)(C1C=CC=CC=1)N1C=NC=C1"	"InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H"	"VNFPBHJOKIVQEB-UHFFFAOYSA-N"	"?"
"3212"	"81-33-4"	"Pigment Violet 29"	"DTXSID9052555"	"O=C1NC(=O)C2C=CC3=C4C(C=CC1C=24)C1=CC=C2C4=C1C3=CC=C4C(=O)NC2=O"	"InChI=1S/C24H12N2O4/c27-21-13-5-1-9-10-2-6-15-20-16(24(30)26-23(15)29)8-4-12(18(10)20)11-3-7-14(22(28)25-21)19(13)17(9)11/h1-9,13H,(H,25,27,28)(H,26,29,30)"	"YBYTVLPOUVATMF-UHFFFAOYSA-N"	"?"
"3213"	"37693-01-9"	"Clofoctol"	"DTXSID5045889"	"CC(C)(C)CC(C)(C)C1C=C(CC2C=CC(Cl)=CC=2Cl)C(O)=CC=1"	"InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3"	"HQVZOORKDNCGCK-UHFFFAOYSA-N"	"?"
"3214"	"51604-43-4"	"Thiourea, (methoxymethyl)-"	"DTXSID0068654"	"COCNC(N)=S"	"InChI=1S/C3H8N2OS/c1-6-2-5-3(4)7/h2H2,1H3,(H3,4,5,7)"	"VHHBCZRHMHRNTP-UHFFFAOYSA-N"	"?"
"3215"	"56288-95-0"	"Benzenamine, N-ethyl-2-methyl-5-nitro-"	"DTXSID0069092"	"CC1=CC=C(C=C1NCC)[N+]([O-])=O"	"InChI=1S/C9H12N2O2/c1-3-10-9-6-8(11(12)13)5-4-7(9)2/h4-6,10H,3H2,1-2H3"	"JGBJNRPKVSUFSM-UHFFFAOYSA-N"	"?"
"3216"	"143-50-0"	"Kepone"	"DTXSID1020770"	"O=C1C2(Cl)C3(Cl)C4(Cl)C2(Cl)C2(Cl)C(Cl)(C3(Cl)C21Cl)C4(Cl)Cl"	"InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20"	"LHHGDZSESBACKH-UHFFFAOYSA-N"	"?"
"3217"	"31556-40-8"	"9,10-Anthracenedione, 1-amino-4-hydroxy-2-[4-(1-methyl-1-phenylethyl)phenoxy]-"	"DTXSID0067634"	"CC(C)(C1C=CC=CC=1)C1C=CC(=CC=1)OC1C=C(O)C2=C(C=1N)C(=O)C1=CC=CC=C1C2=O"	"InChI=1S/C29H23NO4/c1-29(2,17-8-4-3-5-9-17)18-12-14-19(15-13-18)34-23-16-22(31)24-25(26(23)30)28(33)21-11-7-6-10-20(21)27(24)32/h3-16,31H,30H2,1-2H3"	"MYOBSOZRFRGEFN-UHFFFAOYSA-N"	"?"
"3218"	"5878-19-3"	"2-Propanone, 1-methoxy-"	"DTXSID0064048"	"COCC(C)=O"	"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3"	"CUZLJOLBIRPEFB-UHFFFAOYSA-N"	"?"
"3219"	"14180-18-8"	"Benzeneethanamine, N,N-dibutyl-, hydrochloride"	"DTXSID0065721"	"CCCCN(CCC1C=CC=CC=1)CCCC"	"InChI=1S/C16H27N/c1-3-5-13-17(14-6-4-2)15-12-16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3"	"LEHSOUZQZPUDEC-UHFFFAOYSA-N"	"Cl"
"3220"	"941-98-0"	"1'-Acetonaphthone"	"DTXSID4052635"	"CC(=O)C1=CC=CC2=CC=CC=C21"	"InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3"	"QQLIGMASAVJVON-UHFFFAOYSA-N"	"?"
"3221"	"22440-93-3"	"1,3-Benzenediamine, N,N,N',N'-tetramethyl-"	"DTXSID0066799"	"CN(C)C1C=C(C=CC=1)N(C)C"	"InChI=1S/C10H16N2/c1-11(2)9-6-5-7-10(8-9)12(3)4/h5-8H,1-4H3"	"LFZLVJBOEONQHV-UHFFFAOYSA-N"	"?"
"3222"	"10027-33-5"	"1,3-Benzenedicarboxylic acid, disodium salt"	"DTXSID0064911"	"OC(=O)C1C=C(C=CC=1)C(O)=O"	"InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)"	"QQVIHTHCMHWDBS-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3223"	"3922-40-5"	"1,10-Phenanthroline-4,7-diol"	"DTXSID0063234"	"OC1C=CN=C2C3=NC=CC(O)=C3C=CC=12"	"InChI=1S/C12H8N2O2/c15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h1-6H,(H,13,15)(H,14,16)"	"SLIBCJURSADKPV-UHFFFAOYSA-N"	"?"
"3224"	"57356-18-0"	"Benzenamine, 4-(hexahydro-1H-azepin-1-yl)-"	"DTXSID0069177"	"NC1=CC=C(C=C1)N1CCCCCC1"	"InChI=1S/C12H18N2/c13-11-5-7-12(8-6-11)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10,13H2"	"RDUONPQXZRHVKQ-UHFFFAOYSA-N"	"?"
"3225"	"42228-16-0"	"Benzoic acid, 4-(dimethoxymethyl)-, methyl ester"	"DTXSID0068369"	"COC(=O)C1C=CC(=CC=1)C(OC)OC"	"InChI=1S/C11H14O4/c1-13-10(12)8-4-6-9(7-5-8)11(14-2)15-3/h4-7,11H,1-3H3"	"YUTFBICAYRWLGQ-UHFFFAOYSA-N"	"?"
"3226"	"14683-75-1"			"CCCCC(C)OP(=S)(OCC)OCC"	"InChI=1S/C10H23O3PS/c1-5-8-9-10(4)13-14(15,11-6-2)12-7-3/h10H,5-9H2,1-4H3"	"FUHNJWGKVQRFEE-UHFFFAOYSA-N"	"?"
"3227"	"37209-31-7"			"CC1OC(OCC2OC(O)C(OS(O)(=O)=O)C(OS(O)(=O)=O)C2OS(O)(=O)=O)C(OS(O)(=O)=O)C(OS(O)(=O)=O)C1O"	"InChI=1S/C12H22O25S5/c1-3-5(13)7(34-39(18,19)20)10(37-42(27,28)29)12(31-3)30-2-4-6(33-38(15,16)17)8(35-40(21,22)23)9(11(14)32-4)36-41(24,25)26/h3-14H,2H2,1H3,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)"	"MJBAKMXCLOFQBX-UHFFFAOYSA-N"	"?"
"3228"	"39255-32-8"	"Ethyl 2-methylpentanoate"	"DTXSID7047198"	"CCOC(=O)C(C)CCC"	"InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3"	"HZPKNSYIDSNZKW-UHFFFAOYSA-N"	"?"
"3229"	"38462-04-3"			"CC(CCC=C(C)C1CC(=O)C(C)(C)O1)=CCC1=C(O)C(Cl)=C(C)C(C=O)=C1O"	"InChI=1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3"	"VGYPZLGWVQQOST-UHFFFAOYSA-N"	"?"
"3230"	"53-39-4"	"Oxandrolone"	"DTXSID8023399"	"CC12CCC3C(CCC4CC(=O)OCC43C)C1CCC2(C)O"	"InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3"	"QSLJIVKCVHQPLV-UHFFFAOYSA-N"	"?"
"3231"	"26919-50-6"	"Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)"	"DTXSID0067268"	"CN(CCCCCC(O)=O)S(=O)(=O)C1C=CC=CC=1"	"InChI=1S/C13H19NO4S/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16)"	"ASJPRZHJNRBKTI-UHFFFAOYSA-N"	"OCCN(CCO)CCO"
"3232"	"33229-34-4"	"HC Blue 2"	"DTXSID6020193"	"[O-][N+](=O)C1C=C(C=CC=1NCCO)N(CCO)CCO"	"InChI=1S/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2"	"MIWUTEVJIISHCP-UHFFFAOYSA-N"	"?"
"3233"	"6358-83-4"	"1,3-Benzenediamine, 4,4'-[(4-methoxy-1,3-phenylene)bis(azo)]bis-"	"DTXSID0064254"	"COC1C=CC(=CC=1N=NC1C=CC(N)=CC=1N)N=NC1C=CC(N)=CC=1N"	"InChI=1S/C19H20N8O/c1-28-19-7-4-13(24-25-16-5-2-11(20)8-14(16)22)10-18(19)27-26-17-6-3-12(21)9-15(17)23/h2-10H,20-23H2,1H3"	"GYSUSQZGUOGDNB-UHFFFAOYSA-N"	"?"
"3234"	"64037-26-9"	"Benzoxazole, 2,5-diamino-"	"DTXSID80214047"	"NC1C=C2N=C(N)OC2=CC=1"	"InChI=1S/C7H7N3O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,8H2,(H2,9,10)"	"KGVVXUNDDIZWEL-UHFFFAOYSA-N"	"?"
"3235"	"18004-57-4"	"9-Anthracenecarboxaldehyde, oxime"	"DTXSID0066294"	"O=NCC1C2=CC=CC=C2C=C2C=CC=CC2=1"	"InChI=1S/C15H11NO/c17-16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2"	"OSDDJLSVCGUGSZ-UHFFFAOYSA-N"	"?"
"3236"	"132-29-6"	"2-Biphenylyl diphenyl phosphate"	"DTXSID4051665"	"O=P(OC1C=CC=CC=1C1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"InChI=1S/C24H19O4P/c25-29(26-21-14-6-2-7-15-21,27-22-16-8-3-9-17-22)28-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-19H"	"QARIOUOTENZTDH-UHFFFAOYSA-N"	"?"
"3237"	"23550-40-5"	"2-Pentanone, 4-methyl-4-(methylthio)-"	"DTXSID0066905"	"CSC(C)(C)CC(C)=O"	"InChI=1S/C7H14OS/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3"	"DHANVOSHQILVNQ-UHFFFAOYSA-N"	"?"
"3238"	"2834-84-6"			"NC(N)N=N"	"InChI=1S/CH6N4/c2-1(3)5-4/h1,4H,2-3H2"	"DRCHNMARIZRTKI-UHFFFAOYSA-N"	"OS(=O)(=O)[O-]"
"3239"	"16369-21-4"	"Ethanol, 2-(propylamino)-"	"DTXSID0066038"	"CCCNCCO"	"InChI=1S/C5H13NO/c1-2-3-6-4-5-7/h6-7H,2-5H2,1H3"	"BCLSJHWBDUYDTR-UHFFFAOYSA-N"	"?"
"3240"	"27905-38-0"	"Benzamide, N-[3-(dimethylamino)phenyl]-"	"DTXSID0067347"	"CN(C)C1=CC(=CC=C1)NC(=O)C1C=CC=CC=1"	"InChI=1S/C15H16N2O/c1-17(2)14-10-6-9-13(11-14)16-15(18)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,16,18)"	"GBRPJNMWNYUKIU-UHFFFAOYSA-N"	"?"
"3241"	"77-65-6"	"Carbromal"	"DTXSID8020252"	"CCC(Br)(CC)C(=O)NC(N)=O"	"InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)"	"OPNPQXLQERQBBV-UHFFFAOYSA-N"	"?"
"3242"	"691-37-2"	"4-Methyl-1-pentene"	"DTXSID3061001"	"CC(C)CC=C"	"InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3"	"WSSSPWUEQFSQQG-UHFFFAOYSA-N"	"?"
"3243"	"74859-41-9"			"CC1N=C(C2C(Br)=C(C=CC=2N(C)C1=O)NC(=O)NCCO)C1C=CC=CC=1F"	"InChI=1S/C20H20BrFN4O3/c1-11-19(28)26(2)15-8-7-14(25-20(29)23-9-10-27)17(21)16(15)18(24-11)12-5-3-4-6-13(12)22/h3-8,11,27H,9-10H2,1-2H3,(H2,23,25,29)"	"UZFSGBHZBSTXLJ-UHFFFAOYSA-N"	"?"
"3244"	"3618-62-0"	"Benzenesulfonic acid, 2,4-diamino-5-[(2-hydroxy-5-nitrophenyl)azo]-, monosodium salt"	"DTXSID0063101"	"NC1C=C(N)C(=CC=1N=NC1=CC(=CC=C1O)[N+]([O-])=O)S(O)(=O)=O"	"InChI=1S/C12H11N5O6S/c13-7-4-8(14)12(24(21,22)23)5-9(7)15-16-10-3-6(17(19)20)1-2-11(10)18/h1-5,18H,13-14H2,(H,21,22,23)"	"PNSZUHGNMLTLEA-UHFFFAOYSA-N"	"[Na+]"
"3245"	"50262-48-1"	"Benzaldehyde, 4-(1-oxopropoxy)-"	"DTXSID0068527"	"CCC(=O)OC1C=CC(=CC=1)C=O"	"InChI=1S/C10H10O3/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h3-7H,2H2,1H3"	"NKXPJXVTMWLHBC-UHFFFAOYSA-N"	"?"
"3246"	"6155-58-4"	"1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-, oxime"	"DTXSID0064129"	"CC1C=CCC(C)(C)C=1CN=O"	"InChI=1S/C10H15NO/c1-8-5-4-6-10(2,3)9(8)7-11-12/h4-5H,6-7H2,1-3H3"	"RYHRCZMBTBQNIH-UHFFFAOYSA-N"	"?"
"3247"	"30468-49-6"			"OS(=O)(=O)C1=CC2C=CC3=NN(N=C3C=2C=C1)C1=CC(=C(C=CC2C=CC(=CC=2S(O)(=O)=O)N2C=NC=N2)C=C1)S(O)(=O)=O"	"InChI=1S/C26H18N6O9S3/c33-42(34,35)21-8-9-22-18(11-21)5-10-23-26(22)30-32(29-23)20-7-4-17(25(13-20)44(39,40)41)2-1-16-3-6-19(31-15-27-14-28-31)12-24(16)43(36,37)38/h1-15H,(H,33,34,35)(H,36,37,38)(H,39,40,41)"	"OXRWBSBXVOSNBO-UHFFFAOYSA-N"	"[Na+].[Na+].[Na+]"
"3248"	"7311-27-5"	"2-[2-[2-[2-(4-Nonylphenoxy)ethoxy]ethoxy]ethoxy] ethanol"	"DTXSID0064624"	"CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCO"	"InChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-9-22-10-12-23(13-11-22)28-21-20-27-19-18-26-17-16-25-15-14-24/h10-13,24H,2-9,14-21H2,1H3"	"UTXPMECBRCEYCI-UHFFFAOYSA-N"	"?"
"3249"	"8004-92-0"	"C.I. Acid Yellow 3 disodium salt"	"DTXSID0041721"	"OS(=O)(=O)C1=CC2C=CC(=NC=2C(=C1)S(O)(=O)=O)C1C(=O)C2C=CC=CC=2C1=O"	"InChI=1S/C18H11NO8S2/c20-17-11-3-1-2-4-12(11)18(21)15(17)13-6-5-9-7-10(28(22,23)24)8-14(16(9)19-13)29(25,26)27/h1-8,15H,(H,22,23,24)(H,25,26,27)"	"OESPFRYVCUTRKF-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3250"	"623-84-7"	"Propane-1,2-diyl diacetate"	"DTXSID9044827"	"CC(=O)OCC(C)OC(C)=O"	"InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3"	"MLHOXUWWKVQEJB-UHFFFAOYSA-N"	"?"
"3251"	"32445-12-8"	"Benzenediazonium, 2-methoxy-4-(phenylamino)-"	"DTXSID0067684"	"COC1C=C(C=CC=1[N+]#N)NC1C=CC=CC=1"	"InChI=1S/C13H12N3O/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10/h2-9,15H,1H3/q+1"	"LMVXMJUMQJUKDF-UHFFFAOYSA-N"	"?"
"3252"	"111-62-6"	"Ethyl oleate"	"DTXSID3047633"	"CCCCCCCCC=CCCCCCCCC(=O)OCC"	"InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3"	"LVGKNOAMLMIIKO-UHFFFAOYSA-N"	"?"
"3253"	"14501-64-5"	"9H-Carbazole-3-carboxylic acid, 2-hydroxy-"	"DTXSID0065777"	"OC1=CC2NC3C=CC=CC=3C=2C=C1C(O)=O"	"InChI=1S/C13H9NO3/c15-12-6-11-8(5-9(12)13(16)17)7-3-1-2-4-10(7)14-11/h1-6,14-15H,(H,16,17)"	"JSCNDCWUFHAJQL-UHFFFAOYSA-N"	"?"
"3254"	"78467-25-1"			"O=C1CCC2C(=CC=CC=2OCCCN2CCC(CC3C=CC=CC=3)CC2)N1"	"InChI=1S/C24H30N2O2/c27-24-11-10-21-22(25-24)8-4-9-23(21)28-17-5-14-26-15-12-20(13-16-26)18-19-6-2-1-3-7-19/h1-4,6-9,20H,5,10-18H2,(H,25,27)"	"ZSHZOONYRBYGNV-UHFFFAOYSA-N"	"?"
"3255"	"6290-05-7"	"Glycine, N-(2-ethoxy-2-oxoethyl)-, ethyl ester"	"DTXSID0064200"	"CCOC(=O)CNCC(=O)OCC"	"InChI=1S/C8H15NO4/c1-3-12-7(10)5-9-6-8(11)13-4-2/h9H,3-6H2,1-2H3"	"LJDNMOCAQVXVKY-UHFFFAOYSA-N"	"?"
"3256"	"3743-84-8"	"2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[[4-[methyl[[2-(sulfooxy)ethyl]sulfonyl]amino]phenyl]azo]-"	"DTXSID0063159"	"CC(=O)NC1=CC(=CC2=CC(=C(N=NC3C=CC(=CC=3)N(C)S(=O)(=O)CCOS(O)(=O)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C21H22N4O14S4/c1-12(26)22-17-11-16(41(30,31)32)9-13-10-18(42(33,34)35)20(21(27)19(13)17)24-23-14-3-5-15(6-4-14)25(2)40(28,29)8-7-39-43(36,37)38/h3-6,9-11,27H,7-8H2,1-2H3,(H,22,26)(H,30,31,32)(H,33,34,35)(H,36,37,38)"	"PFWJIAWRRDIXIE-UHFFFAOYSA-N"	"?"
"3257"	"5424-21-5"	"Pyrimidine, 2,4-dichloro-6-methyl-"	"DTXSID0063868"	"CC1=CC(Cl)=NC(Cl)=N1"	"InChI=1S/C5H4Cl2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3"	"BTLKROSJMNFSQZ-UHFFFAOYSA-N"	"?"
"3258"	"55771-81-8"	"Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester"	"DTXSID0069048"	"CCOC(=O)C1=CC(Br)=C(O)C(Br)=C1"	"InChI=1S/C9H8Br2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3"	"RLKDCOVOJVJVFI-UHFFFAOYSA-N"	"?"
"3259"	"5862-40-8"	"Ethanol, 2-mercapto-, 1-acetate"	"DTXSID0064042"	"CC(=O)OCCS"	"InChI=1S/C4H8O2S/c1-4(5)6-2-3-7/h7H,2-3H2,1H3"	"YDLAHBBJAGGIJZ-UHFFFAOYSA-N"	"?"
"3260"	"50539-81-6"	"Carbamic acid, (ethylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"	"DTXSID90198561"	"CCSN(C)C(=O)OC1C=CC=C2CC(C)(C)OC=12"	"InChI=1S/C14H19NO3S/c1-5-19-15(4)13(16)17-11-8-6-7-10-9-14(2,3)18-12(10)11/h6-8H,5,9H2,1-4H3"	"RJPCOPJDCSLQER-UHFFFAOYSA-N"	"?"
"3261"	"15774-82-0"	"9H-Thioxanthen-9-one, 2-methyl-"	"DTXSID0065937"	"CC1C=C2C(=O)C3=CC=CC=C3SC2=CC=1"	"InChI=1S/C14H10OS/c1-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h2-8H,1H3"	"MYISVPVWAQRUTL-UHFFFAOYSA-N"	"?"
"3262"	"29710-34-7"	"Decanoic acid, hexadecyl ester"	"DTXSID0067501"	"CCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC"	"InChI=1S/C26H52O2/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-28-26(27)24-22-20-18-10-8-6-4-2/h3-25H2,1-2H3"	"QICHMCRJUKQZRE-UHFFFAOYSA-N"	"?"
"3263"	"98532-83-3"	"1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-"	"DTXSID50243642"	"CC1CCOC(CN2C=NC=N2)(O1)C1=CC2=CC=CC=C2O1"	"InChI=1S/C16H17N3O3/c1-12-6-7-20-16(22-12,9-19-11-17-10-18-19)15-8-13-4-2-3-5-14(13)21-15/h2-5,8,10-12H,6-7,9H2,1H3"	"FZLVHAJCOZSNSP-UHFFFAOYSA-N"	"?"
"3264"	"32807-28-6"	"Methyl 4-chloroacetoacetate"	"DTXSID0067719"	"COC(=O)CC(=O)CCl"	"InChI=1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3"	"HFLMYYLFSNEOOT-UHFFFAOYSA-N"	"?"
"3265"	"10029-31-9"	"Benzenamine, 4-[(4-aminophenyl)methyl]-N-(1-methylethyl)-"	"DTXSID0064913"	"CC(C)NC1C=CC(CC2C=CC(N)=CC=2)=CC=1"	"InChI=1S/C16H20N2/c1-12(2)18-16-9-5-14(6-10-16)11-13-3-7-15(17)8-4-13/h3-10,12,18H,11,17H2,1-2H3"	"OYZBHMQKSAYWAI-UHFFFAOYSA-N"	"?"
"3266"	"58955-81-0"	"6H-1,3,5-Oxathiazine, 4-(4-chlorophenyl)-"	"DTXSID00207693"	"ClC1C=CC(=CC=1)C1=NCOCS1"	"InChI=1S/C9H8ClNOS/c10-8-3-1-7(2-4-8)9-11-5-12-6-13-9/h1-4H,5-6H2"	"AFHWEGXDWKSXKJ-UHFFFAOYSA-N"	"?"
"3267"	"55716-11-5"	"Morpholine, 2,2,3,3,5,5,6,6-octafluoro-4-(pentafluoroethyl)-"	"DTXSID0069042"	"FC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F"	"InChI=1S/C6F13NO/c7-1(8,9)2(10,11)20-3(12,13)5(16,17)21-6(18,19)4(20,14)15"	"BMPMIPFMFUBMNZ-UHFFFAOYSA-N"	"?"
"3268"	"6739-62-4"	"C.I. Direct Black 21, trisodium salt"	"DTXSID0064466"	"COC1=CC(=CC=C1N=NC1C(=CC2=C(N=NC3=CC=C(C=C3C(O)=O)[N+]([O-])=O)C(N)=CC=C2C=1O)S(O)(=O)=O)C1C=C(OC)C(=CC=1)N=NC1C=C(C(O)=CC=1)C(O)=O"	"InChI=1S/C38H28N8O13S/c1-58-31-13-18(3-9-28(31)42-40-20-5-12-30(47)25(15-20)38(51)52)19-4-10-29(32(14-19)59-2)43-45-35-33(60(55,56)57)17-23-22(36(35)48)7-8-26(39)34(23)44-41-27-11-6-21(46(53)54)16-24(27)37(49)50/h3-17,47-48H,39H2,1-2H3,(H,49,50)(H,51,52)(H,55,56,57)"	"GOBKTICFXQSDQA-UHFFFAOYSA-N"	"[Na+].[Na+].[Na+]"
"3269"	"55-97-0"	"1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, bromide (1:2)"	"DTXSID50883229"	"C[N+](C)(C)CCCCCC[N+](C)(C)C"	"InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2"	"VZJFGSRCJCXDSG-UHFFFAOYSA-N"	"[Br-].[Br-]"
"3270"	"41996-78-5"	"Ethanone, 2,2-diethoxy-1,2-diphenyl-"	"DTXSID0068361"	"CCOC(OCC)(C(=O)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C18H20O3/c1-3-20-18(21-4-2,16-13-9-6-10-14-16)17(19)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3"	"GIMQKKFOOYOQGB-UHFFFAOYSA-N"	"?"
"3271"	"108-80-5"	"Cyanuric acid"	"DTXSID7024873"	"OC1N=C(O)N=C(O)N=1"	"InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)"	"ZFSLODLOARCGLH-UHFFFAOYSA-N"	"?"
"3272"	"26218-12-2"	"Benzoic acid, 2-hydrazino-5-sulfo-"	"DTXSID0067189"	"NNC1C=CC(=CC=1C(O)=O)S(O)(=O)=O"	"InChI=1S/C7H8N2O5S/c8-9-6-2-1-4(15(12,13)14)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11)(H,12,13,14)"	"OGBHOBCGEADUOZ-UHFFFAOYSA-N"	"?"
"3273"	"4222-20-2"	"3H-Naphtho[2,1-b]pyran, 3,3-diphenyl-"	"DTXSID0063365"	"C1=CC=CC2=C3C=CC(OC3=CC=C21)(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C25H18O/c1-3-10-20(11-4-1)25(21-12-5-2-6-13-21)18-17-23-22-14-8-7-9-19(22)15-16-24(23)26-25/h1-18H"	"UBNNJVRNPJVYBU-UHFFFAOYSA-N"	"?"
"3274"	"25149-46-6"	"Propanenitrile, 2-[(1,1-dimethylethyl)azo]-2-methyl-"	"DTXSID0067058"	"CC(C)(C)N=NC(C)(C)C#N"	"InChI=1S/C8H15N3/c1-7(2,3)10-11-8(4,5)6-9/h1-5H3"	"PYKCEDJHRUUDRK-UHFFFAOYSA-N"	"?"
"3275"	"56329-47-6"	"1,2-Ethanediamine, N-(2-aminoethyl)-, diacetate"	"DTXSID0069094"	"NCCNCCN"	"InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2"	"RPNUMPOLZDHAAY-UHFFFAOYSA-N"	"C(C)(=O)O.C(C)(=O)O"
"3276"	"23495-13-8"	"Pentanoic acid, 2-phenoxyethyl ester"	"DTXSID0066901"	"CCCCC(=O)OCCOC1C=CC=CC=1"	"InChI=1S/C13H18O3/c1-2-3-9-13(14)16-11-10-15-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3"	"VTDVFBXXQCGSIB-UHFFFAOYSA-N"	"?"
"3277"	"131631-89-5"			"CC(=O)NCCCOC1C=CC(=CC=1)C(=O)N1CCC(CC1)N1C2C=CC=CC=2CCC1=O"	"InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)"	"KSNUCNRMDYJBKT-UHFFFAOYSA-N"	"?"
"3278"	"680-31-9"	"Hexamethylphosphoramide"	"DTXSID6020694"	"CN(C)P(=O)(N(C)C)N(C)C"	"InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3"	"GNOIPBMMFNIUFM-UHFFFAOYSA-N"	"?"
"3279"	"26413-18-3"	"1,3-Dithiane, 1,1,3,3-tetraoxide"	"DTXSID0067210"	"O=S1(=O)CS(=O)(=O)CCC1"	"InChI=1S/C4H8O4S2/c5-9(6)2-1-3-10(7,8)4-9/h1-4H2"	"YIMCEGNLWJUWNH-UHFFFAOYSA-N"	"?"
"3280"	"24598-73-0"	"4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, monopotassium salt"	"DTXSID0067004"	"OC1N=C(O)C=C(N=1)C(O)=O"	"InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)"	"PXQPEWDEAKTCGB-UHFFFAOYSA-N"	"[K+]"
"3281"	"6259-42-3"	"5-Chloro-2-methylaniline hydrochloride"	"DTXSID0064175"	"CC1=CC=C(Cl)C=C1N"	"InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3"	"WRZOMWDJOLIVQP-UHFFFAOYSA-N"	"Cl"
"3282"	"20442-11-9"	"Nonanoic acid, 2-butoxyethyl ester"	"DTXSID0066614"	"CCCCOCCOC(=O)CCCCCCCC"	"InChI=1S/C15H30O3/c1-3-5-7-8-9-10-11-15(16)18-14-13-17-12-6-4-2/h3-14H2,1-2H3"	"XHYOMWNQYADXSZ-UHFFFAOYSA-N"	"?"
"3283"	"4786-20-3"	"2-Butenenitrile"	"DTXSID0063604"	"CC=CC#N"	"InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3"	"NKKMVIVFRUYPLQ-UHFFFAOYSA-N"	"?"
"3284"	"60207-93-4"	"Etaconazole"	"DTXSID2041913"	"CCC1COC(CN2C=NC=N2)(O1)C1C=CC(Cl)=CC=1Cl"	"InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3"	"DWRKFAJEBUWTQM-UHFFFAOYSA-N"	"?"
"3285"	"74014-51-0"	"Propionylleucomycin"	"DTXSID6023521"	"COC1C(OC2OC(C)C(OC3CC(C)(OC(=O)CC)C(OC(=O)CCC)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(O)C=CC=CCC(C)OC(=O)CC1O"	"InChI=1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3"	"VYWWNRMSAPEJLS-UHFFFAOYSA-N"	"?"
"3286"	"38134-94-0"	"2-Naphthalenecarboxylic acid, 1-hydroxy-6-(octadecyloxy)-"	"DTXSID0068070"	"CCCCCCCCCCCCCCCCCCOC1C=CC2C(C=1)=CC=C(C(O)=O)C=2O"	"InChI=1S/C29H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-33-25-19-21-26-24(23-25)18-20-27(28(26)30)29(31)32/h18-21,23,30H,2-17,22H2,1H3,(H,31,32)"	"HZAMBLFVFWGWSW-UHFFFAOYSA-N"	"?"
"3287"	"4490-10-2"	"2,6-Octadiene, 1-chloro-3,7-dimethyl-"	"DTXSID0063494"	"CC(C)=CCCC(C)=CCCl"	"InChI=1S/C10H17Cl/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3"	"WLAUCMCTKPXDIY-UHFFFAOYSA-N"	"?"
"3288"	"72571-82-5"	"Pipemidic acid trihydrate"	"DTXSID20222883"	"CCN1C=C(C(O)=O)C(=O)C2C=NC(=NC1=2)N1CCNCC1"	"InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)"	"JOHZPMXAZQZXHR-UHFFFAOYSA-N"	"O.O.O"
"3289"	"81-21-0"	"Dicyclopentadiene dioxide"	"DTXSID4020452"	"C1C2C(C3OC31)C1CC2C2OC12"	"InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2"	"BQQUFAMSJAKLNB-UHFFFAOYSA-N"	"?"
"3290"	"63503-98-0"			"CC(=O)CC(=O)NC1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C10H11NO5S/c1-7(12)6-10(13)11-8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,11,13)(H,14,15,16)"	"GRLSWESXIFWOBF-UHFFFAOYSA-N"	"[Na+]"
"3291"	"22717-57-3"	"Benzoic acid, 2-hydroxy-5-methyl-, methyl ester"	"DTXSID0066822"	"CC1C=CC(O)=C(C=1)C(=O)OC"	"InChI=1S/C9H10O3/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5,10H,1-2H3"	"JQYUQKRFSSSGJM-UHFFFAOYSA-N"	"?"
"3292"	"25080-14-2"	"Acetamide, N-[3-[bis(phenylmethyl)amino]-4-methoxyphenyl]-"	"DTXSID0067052"	"CC(=O)NC1C=C(C(=CC=1)OC)N(CC1C=CC=CC=1)CC1C=CC=CC=1"	"InChI=1S/C23H24N2O2/c1-18(26)24-21-13-14-23(27-2)22(15-21)25(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-15H,16-17H2,1-2H3,(H,24,26)"	"AFABFCARSKKBAV-UHFFFAOYSA-N"	"?"
"3293"	"6318-09-8"	"2,4,6-Tri(propan-2-yl)benzene-1,3-diamine"	"DTXSID10282890"	"CC(C)C1=CC(C(C)C)=C(N)C(C(C)C)=C1N"	"InChI=1S/C15H26N2/c1-8(2)11-7-12(9(3)4)15(17)13(10(5)6)14(11)16/h7-10H,16-17H2,1-6H3"	"UCUPHRPMBXOFAU-UHFFFAOYSA-N"	"?"
"3294"	"24059-71-0"	"2-Pyrrolidinone, 1-(2-methylphenyl)-"	"DTXSID0066953"	"CC1C=CC=CC=1N1CCCC1=O"	"InChI=1S/C11H13NO/c1-9-5-2-3-6-10(9)12-8-4-7-11(12)13/h2-3,5-6H,4,7-8H2,1H3"	"YZKUWLKFKUUHJP-UHFFFAOYSA-N"	"?"
"3295"	"4728-04-5"	"2,4-Pentanedione, 3-(2-furanylmethylene)-"	"DTXSID0063579"	"CC(=O)C(=CC1=CC=CO1)C(C)=O"	"InChI=1S/C10H10O3/c1-7(11)10(8(2)12)6-9-4-3-5-13-9/h3-6H,1-2H3"	"LYUYRWISWALFBB-UHFFFAOYSA-N"	"?"
"3296"	"7426-75-7"	"Oxazole, 2,2'-(1,4-phenylene)bis[4,5-dihydro-"	"DTXSID0064672"	"C1CN=C(O1)C1C=CC(=CC=1)C1=NCCO1"	"InChI=1S/C12H12N2O2/c1-2-10(12-14-6-8-16-12)4-3-9(1)11-13-5-7-15-11/h1-4H,5-8H2"	"ZDNUPMSZKVCETJ-UHFFFAOYSA-N"	"?"
"3297"	"24610-00-2"	"Benzonitrile, 2-[[4-[(2-cyanoethyl)(2-phenylethyl)amino]phenyl]azo]-5-nitro-"	"DTXSID0067006"	"N#CC1C=C(C=CC=1N=NC1C=CC(=CC=1)N(CCC#N)CCC1C=CC=CC=1)[N+]([O-])=O"	"InChI=1S/C24H20N6O2/c25-14-4-15-29(16-13-19-5-2-1-3-6-19)22-9-7-21(8-10-22)27-28-24-12-11-23(30(31)32)17-20(24)18-26/h1-3,5-12,17H,4,13,15-16H2"	"CWNHPGPSJLVQCK-UHFFFAOYSA-N"	"?"
"3298"	"504-90-5"	"Disulfide, bis(thiocarbamoyl)"	"DTXSID00198451"	"NC(=S)SSC(N)=S"	"InChI=1S/C2H4N2S4/c3-1(5)7-8-2(4)6/h(H2,3,5)(H2,4,6)"	"CSNJTIWCTNEOSW-UHFFFAOYSA-N"	"?"
"3299"	"100-79-8"	"Solketal"	"DTXSID9021845"	"CC1(C)OCC(CO)O1"	"InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3"	"RNVYQYLELCKWAN-UHFFFAOYSA-N"	"?"
"3300"	"73833-37-1"	"2,2,4,4-Tetramethyl-7-oxa-3,20-diazadispiro(5.1.11.2)henicosan-21-one hydrochloride"	"DTXSID50224355"	"CC1(C)CC2(CC(C)(C)N1)OC1(CCCCCCCCCCC1)NC2=O"	"InChI=1S/C22H40N2O2/c1-19(2)16-21(17-20(3,4)24-19)18(25)23-22(26-21)14-12-10-8-6-5-7-9-11-13-15-22/h24H,5-17H2,1-4H3,(H,23,25)"	"IVVLFHBYPHTMJU-UHFFFAOYSA-N"	"Cl"
"3301"	"557-75-5"	"Vinyl alcohol"	"DTXSID8051467"	"C=CO"	"InChI=1S/C2H4O/c1-2-3/h2-3H,1H2"	"IMROMDMJAWUWLK-UHFFFAOYSA-N"	"?"
"3302"	"25743-94-6"	"9,10-Anthracenedione, 1-[[3-(dimethylamino)propyl]amino]-4-[(4-methylphenyl)amino]-"	"DTXSID0067133"	"CC1C=CC(=CC=1)NC1C=CC(NCCCN(C)C)=C2C=1C(=O)C1C=CC=CC=1C2=O"	"InChI=1S/C26H27N3O2/c1-17-9-11-18(12-10-17)28-22-14-13-21(27-15-6-16-29(2)3)23-24(22)26(31)20-8-5-4-7-19(20)25(23)30/h4-5,7-14,27-28H,6,15-16H2,1-3H3"	"FTYQWGDZBXEMPO-UHFFFAOYSA-N"	"?"
"3303"	"2591-74-4"			"COP(=S)(NCC)OC1C=C(Cl)C(Cl)=CC=1Cl"	"InChI=1S/C9H11Cl3NO2PS/c1-3-13-16(17,14-2)15-9-5-7(11)6(10)4-8(9)12/h4-5H,3H2,1-2H3,(H,13,17)"	"FHADYQBDCIGGEE-UHFFFAOYSA-N"	"?"
"3304"	"4072-67-7"	"Ethanone, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[2-bromo-"	"DTXSID0063286"	"O=C(CBr)C1C=CC(=CC=1)C1C=CC(=CC=1)C(=O)CBr"	"InChI=1S/C16H12Br2O2/c17-9-15(19)13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(20)10-18/h1-8H,9-10H2"	"RTSLQVZQORGDQQ-UHFFFAOYSA-N"	"?"
"3305"	"6556-11-2"	"Inositol niacinate"	"DTXSID2023147"	"O=C(OC1C(OC(=O)C2C=NC=CC=2)C(OC(=O)C2C=NC=CC=2)C(OC(=O)C2C=NC=CC=2)C(OC(=O)C2C=NC=CC=2)C1OC(=O)C1C=NC=CC=1)C1C=NC=CC=1"	"InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H"	"MFZCIDXOLLEMOO-UHFFFAOYSA-N"	"?"
"3306"	"15761-96-3"	"1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-(phenylmethyl)-, 2-oxide"	"DTXSID0065933"	"CC1(C)COP(=O)(CC2C=CC=CC=2)OC1"	"InChI=1S/C12H17O3P/c1-12(2)9-14-16(13,15-10-12)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3"	"QULASSAQFUJMIP-UHFFFAOYSA-N"	"?"
"3307"	"112-18-5"	"N,N-Dimethyldodecan-1-amine"	"DTXSID1026906"	"CCCCCCCCCCCCN(C)C"	"InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3"	"YWFWDNVOPHGWMX-UHFFFAOYSA-N"	"?"
"3308"	"42509-80-8"	"Isazofos"	"DTXSID7034676"	"CC(C)N1N=C(N=C1Cl)OP(=S)(OCC)OCC"	"InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3"	"XRHGWAGWAHHFLF-UHFFFAOYSA-N"	"?"
"3309"	"151-19-9"	"3,6-Dimethyl-3-octanol"	"DTXSID40861834"	"CC(CCC(C)(O)CC)CC"	"InChI=1S/C10H22O/c1-5-9(3)7-8-10(4,11)6-2/h9,11H,5-8H2,1-4H3"	"NPHCXUPGMINOPP-UHFFFAOYSA-N"	"?"
"3310"	"14452-34-7"	"Phenol, 2,4-dimethyl-6-nitro-"	"DTXSID0065771"	"CC1=CC(C)=CC(=C1O)[N+]([O-])=O"	"InChI=1S/C8H9NO3/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4,10H,1-2H3"	"KJRCHILWKQLEBC-UHFFFAOYSA-N"	"?"
"3311"	"3731-38-2"	"1-Azabicyclo[2.2.2]octan-3-one"	"DTXSID0063151"	"O=C1CN2CCC1CC2"	"InChI=1S/C7H11NO/c9-7-5-8-3-1-6(7)2-4-8/h6H,1-5H2"	"ZKMZPXWMMSBLNO-UHFFFAOYSA-N"	"?"
"3312"	"98-79-3"	"Pidolic acid"	"DTXSID6046260"	"OC(=O)C1CCC(=O)N1"	"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)"	"ODHCTXKNWHHXJC-UHFFFAOYSA-N"	"?"
"3313"	"57280-75-8"	"Ethanone, 1-(2,4-dihydroxyphenyl)-2-methoxy-"	"DTXSID0069171"	"COCC(=O)C1C=CC(O)=CC=1O"	"InChI=1S/C9H10O4/c1-13-5-9(12)7-3-2-6(10)4-8(7)11/h2-4,10-11H,5H2,1H3"	"LEBDSTPTUMQDQU-UHFFFAOYSA-N"	"?"
"3314"	"894-71-3"	"Nortriptyline hdrochloride"	"DTXSID2045109"	"CNCC/C=C1\C2=CC=CC=C2CCC2C=CC=CC=2\1"	"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3"	"PHVGLTMQBUFIQQ-UHFFFAOYSA-N"	"Cl"
"3315"	"47662-72-6"	"ML 1037"	"DTXSID70197239"	"CC(C)(OC1C=CC=CC=1Cl)C(=O)NC1C=CC(=CC=1)C(=O)OCCN(CC)CC"	"InChI=1S/C23H29ClN2O4/c1-5-26(6-2)15-16-29-21(27)17-11-13-18(14-12-17)25-22(28)23(3,4)30-20-10-8-7-9-19(20)24/h7-14H,5-6,15-16H2,1-4H3,(H,25,28)"	"NVOZYHBMINYHQA-UHFFFAOYSA-N"	"?"
"3316"	"93-76-5"	"2,4,5-Trichlorophenoxyacetic acid"	"DTXSID5021388"	"OC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl"	"InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)"	"SMYMJHWAQXWPDB-UHFFFAOYSA-N"	"?"
"3317"	"6487-07-6"	"Benzamide, N,N'-(5,6,7,12,17,18,19,24-octahydro-5,7,12,17,19,24-hexaoxodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-11,23-diyl)bis-"	"DTXSID0064387"	"O=C(NC1=CC2=C(NC3C4=C(C=CC2=3)C(=O)C2C3NC5C6=C(C(=CC=5C=3C=CC=2C4=O)NC(=O)C2C=CC=CC=2)C(=O)C2C=CC=CC=2C6=O)C2=C1C(=O)C1=CC=CC=C1C2=O)C1C=CC=CC=1"	"InChI=1S/C56H28N4O8/c61-49-29-15-7-9-17-31(29)51(63)43-41(49)37(57-55(67)25-11-3-1-4-12-25)23-35-27-19-21-33-39(45(27)59-47(35)43)53(65)34-22-20-28-36-24-38(58-56(68)26-13-5-2-6-14-26)42-44(48(36)60-46(28)40(34)54(33)66)52(64)32-18-10-8-16-30(32)50(42)62/h1-24,59-60H,(H,57,67)(H,58,68)"	"BZRDLUQFYZMOQM-UHFFFAOYSA-N"	"?"
"3318"	"18420-56-9"	"Naphtho[2,3-d]thiazolium, 3-ethyl-2-[2-[(3-ethylnaphtho[2,3-d]thiazol-2(3H)-ylidene)methyl]-1-butenyl]-, salt with 4-methylbenzenesulfonic acid (1:1)"	"DTXSID0066373"	"CC[N+]1=C(/C=C(/CC)\C=C2/SC3C=C4C=CC=CC4=CC=3N/2CC)SC2=CC3=CC=CC=C3C=C12"	"InChI=1S/C31H29N2S2/c1-4-21(15-30-32(5-2)26-17-22-11-7-9-13-24(22)19-28(26)34-30)16-31-33(6-3)27-18-23-12-8-10-14-25(23)20-29(27)35-31/h7-20H,4-6H2,1-3H3/q+1"	"DSQIEYUHVDXVHK-UHFFFAOYSA-N"	"C1(=CC=C(C)C=C1)S(=O)([O-])=O"
"3319"	"3914-19-0"	"1,3-Bis(1,1,2,2-tetrafluoroethoxy)benzene"	"DTXSID0063232"	"FC(F)(OC1=CC(=CC=C1)OC(F)(F)C(F)F)C(F)F"	"InChI=1S/C10H6F8O2/c11-7(12)9(15,16)19-5-2-1-3-6(4-5)20-10(17,18)8(13)14/h1-4,7-8H"	"BGSNJTVHTSPYDP-UHFFFAOYSA-N"	"?"
"3320"	"19836-78-3"	"2-Oxazolidinone, 3-methyl-"	"DTXSID0066537"	"CN1CCOC1=O"	"InChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3"	"VWIIJDNADIEEDB-UHFFFAOYSA-N"	"?"
"3321"	"23328-71-4"	"Stearoxypropyltrimonium chloride"	"DTXSID10177878"	"CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C"	"InChI=1S/C24H52NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-24-21-22-25(2,3)4/h5-24H2,1-4H3/q+1"	"OWMLFDGBZCHKOL-UHFFFAOYSA-N"	"[Cl-]"
"3322"	"10416-58-7"	"Acetamide, N,N-bis(trimethylsilyl)-"	"DTXSID0065068"	"CC(=O)N([Si](C)(C)C)[Si](C)(C)C"	"InChI=1S/C8H21NOSi2/c1-8(10)9(11(2,3)4)12(5,6)7/h1-7H3"	"VTACLVUOTMPORB-UHFFFAOYSA-N"	"?"
"3323"	"6142-15-0"	"2-Thiazolamine, 4-methyl-, monohydrochloride"	"DTXSID0064123"	"CC1=CSC(N)=N1"	"InChI=1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)"	"OUQMXTJYCAJLGO-UHFFFAOYSA-N"	"Cl"
"3324"	"33156-84-2"			"COC1C=CC(=CC=1)C1(O)C2C=CC=CC=2C2=NCCN12"	"InChI=1S/C17H16N2O2/c1-21-13-8-6-12(7-9-13)17(20)15-5-3-2-4-14(15)16-18-10-11-19(16)17/h2-9,20H,10-11H2,1H3"	"HQICEQOCYAITRP-UHFFFAOYSA-N"	"?"
"3325"	"123172-51-0"			"CC1OC2C=C(C=CC=2NC1=O)C(=O)C1C=CC(Cl)=CC=1"	"InChI=1S/C16H12ClNO3/c1-9-16(20)18-13-7-4-11(8-14(13)21-9)15(19)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,18,20)"	"MAQISQMPSBDBBP-UHFFFAOYSA-N"	"?"
"3326"	"20483-36-7"	"2-Butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-"	"DTXSID0066618"	"CC1C=CCC(C)(C)C=1CCC(C)=O"	"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3"	"SQFRYZPEWOZAKJ-UHFFFAOYSA-N"	"?"
"3327"	"15993-42-7"	"Butanamide, N-(5-chloro-2-methoxyphenyl)-2-[2-(2-methoxy-4-nitrophenyl)diazenyl]-3-oxo-"	"DTXSID90864653"	"CC(=O)C(N=NC1C=CC(=CC=1OC)[N+]([O-])=O)C(=O)NC1C=C(Cl)C=CC=1OC"	"InChI=1S/C18H17ClN4O6/c1-10(24)17(18(25)20-14-8-11(19)4-7-15(14)28-2)22-21-13-6-5-12(23(26)27)9-16(13)29-3/h4-9,17H,1-3H3,(H,20,25)"	"AYOFXUHULUCJBF-UHFFFAOYSA-N"	"?"
"3328"	"36438-51-4"	"Benzenamine, 3-chloro-N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)-"	"DTXSID0067979"	"CCN(CC)C1=C(C=C(C(Cl)=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O"	"InChI=1S/C11H11ClF3N3O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(13,14)15)8(12)10(9)18(21)22/h5H,3-4H2,1-2H3"	"USJZRMMIXCKQRV-UHFFFAOYSA-N"	"?"
"3329"	"32737-14-7"	"Pyrazine, 2-ethoxy-3-methyl-"	"DTXSID0067713"	"CC1=NC=CN=C1OCC"	"InChI=1S/C7H10N2O/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3"	"MMKWCKGYULOKET-UHFFFAOYSA-N"	"?"
"3330"	"24477-37-0"	"Glisolamide"	"DTXSID00179245"	"CC1=CC(=NO1)C(=O)NCCC1C=CC(=CC=1)S(=O)(=O)NC(=O)NC1CCCCC1"	"InChI=1S/C20H26N4O5S/c1-14-13-18(23-29-14)19(25)21-12-11-15-7-9-17(10-8-15)30(27,28)24-20(26)22-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3,(H,21,25)(H2,22,24,26)"	"GZKDXUIWCNCNBJ-UHFFFAOYSA-N"	"?"
"3331"	"104902-33-2"	"1,8-Naphthyridin-2(1H)-one, 3-methyl-1-(3-(trifluoromethyl)phenyl)-"	"DTXSID20146818"	"CC1=CC2C=CC=NC=2N(C1=O)C1C=C(C=CC=1)C(F)(F)F"	"InChI=1S/C16H11F3N2O/c1-10-8-11-4-3-7-20-14(11)21(15(10)22)13-6-2-5-12(9-13)16(17,18)19/h2-9H,1H3"	"TUYYQWHGLSNMRK-UHFFFAOYSA-N"	"?"
"3332"	"4228-00-6"	"Phenyl laurate"	"DTXSID0063367"	"CCCCCCCCCCCC(=O)OC1C=CC=CC=1"	"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-13-16-18(19)20-17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3"	"ZPORCTAUIXXZAI-UHFFFAOYSA-N"	"?"
"3333"	"2375-03-3"	"Methylprednisolone succinate"	"DTXSID2023303"	"CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)COC(=O)CCC(O)=O)C2(C)C=CC(=O)C=C21"	"InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)"	"IMBXEJJVJRTNOW-UHFFFAOYSA-N"	"[Na+]"
"3334"	"3637-01-2"	"Ethanone, 1-(3,4-dimethylphenyl)-"	"DTXSID0063109"	"CC1=CC(=CC=C1C)C(C)=O"	"InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3"	"WPRAXAOJIODQJR-UHFFFAOYSA-N"	"?"
"3335"	"4563-33-1"	"Benzenemethanesulfonamide"	"DTXSID0063525"	"NS(=O)(=O)CC1C=CC=CC=1"	"InChI=1S/C7H9NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)"	"ABOYDMHGKWRPFD-UHFFFAOYSA-N"	"?"
"3336"	"12220-06-3"	"C.I. Acid Orange 67"	"DTXSID0065272"	"CC1C=CC(=CC=1)S(=O)(=O)OC1C=C(C)C(=CC=1)N=NC1=CC(=CC=C1)NC1=CC=C(C=C1[N+]([O-])=O)S(O)(=O)=O"	"InChI=1S/C26H22N4O8S2/c1-17-6-9-22(10-7-17)40(36,37)38-21-8-12-24(18(2)14-21)29-28-20-5-3-4-19(15-20)27-25-13-11-23(39(33,34)35)16-26(25)30(31)32/h3-16,27H,1-2H3,(H,33,34,35)"	"UKKSULPXBQNWRV-UHFFFAOYSA-N"	"[Na+]"
"3337"	"25747-08-4"	"C.I. Mordant Black 11"	"DTXSID0067137"	"[O-][N+](=O)C1=CC2C(C=C1)=C(N=NC1=CC=C3C=CC=CC3=C1O)C(O)=CC=2S(O)(=O)=O"	"InChI=1S/C20H13N3O7S/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25/h1-10,24-25H,(H,28,29,30)"	"GDHWAXDSTKHEAZ-UHFFFAOYSA-N"	"?"
"3338"	"56773-61-6"	"Benzenamine, N-ethyl-N-(2-methoxyethyl)-3-methyl-"	"DTXSID0069129"	"CC1C=CC=C(C=1)N(CCOC)CC"	"InChI=1S/C12H19NO/c1-4-13(8-9-14-3)12-7-5-6-11(2)10-12/h5-7,10H,4,8-9H2,1-3H3"	"QCQGUVVRXARGPG-UHFFFAOYSA-N"	"?"
"3339"	"43051-43-0"	"Benzamide, N-[3-[bis[2-(acetyloxy)ethyl]amino]phenyl]-"	"DTXSID0068448"	"CC(=O)OCCN(CCOC(C)=O)C1C=C(C=CC=1)NC(=O)C1C=CC=CC=1"	"InChI=1S/C21H24N2O5/c1-16(24)27-13-11-23(12-14-28-17(2)25)20-10-6-9-19(15-20)22-21(26)18-7-4-3-5-8-18/h3-10,15H,11-14H2,1-2H3,(H,22,26)"	"HOGOIYHXIXLXGA-UHFFFAOYSA-N"	"?"
"3340"	"20950-56-5"	"[1,1'-Biphenyl]-3,3',5-triol"	"DTXSID0066666"	"OC1=CC(O)=CC(=C1)C1=CC(O)=CC=C1"	"InChI=1S/C12H10O3/c13-10-3-1-2-8(4-10)9-5-11(14)7-12(15)6-9/h1-7,13-15H"	"ZWJMMZAKZQPIHD-UHFFFAOYSA-N"	"?"
"3341"	"612-12-4"	"1,2-Bis(chloromethyl)benzene"	"DTXSID7052284"	"ClCC1C=CC=CC=1CCl"	"InChI=1S/C8H8Cl2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2"	"FMGGHNGKHRCJLL-UHFFFAOYSA-N"	"?"
"3342"	"7328-91-8"	"1,3-Propanediamine, 2,2-dimethyl-"	"DTXSID0064628"	"CC(C)(CN)CN"	"InChI=1S/C5H14N2/c1-5(2,3-6)4-7/h3-4,6-7H2,1-2H3"	"DDHUNHGZUHZNKB-UHFFFAOYSA-N"	"?"
"3343"	"38209-58-4"	"Benzeneacetic acid, 3,4-dimethoxy-.alpha.-oxo-, methyl ester"	"DTXSID0068078"	"COC1C=C(C=CC=1OC)C(=O)C(=O)OC"	"InChI=1S/C11H12O5/c1-14-8-5-4-7(6-9(8)15-2)10(12)11(13)16-3/h4-6H,1-3H3"	"RRANFHUAXGKYBS-UHFFFAOYSA-N"	"?"
"3344"	"3567-25-7"	"Sulcofuron-sodium"	"DTXSID6034899"	"OS(=O)(=O)C1=CC(Cl)=CC=C1OC1C=CC(Cl)=CC=1NC(=O)NC1=CC(Cl)=C(Cl)C=C1"	"InChI=1S/C19H12Cl4N2O5S/c20-10-1-5-16(30-17-6-2-11(21)8-18(17)31(27,28)29)15(7-10)25-19(26)24-12-3-4-13(22)14(23)9-12/h1-9H,(H2,24,25,26)(H,27,28,29)"	"MKUMTCOTMQPYTQ-UHFFFAOYSA-N"	"[Na+]"
"3345"	"2259-96-3"	"Cyclothiazide"	"DTXSID3022871"	"NS(=O)(=O)C1C=C2C(=CC=1Cl)NC(NS2(=O)=O)C1CC2CC1C=C2"	"InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)"	"BOCUKUHCLICSIY-UHFFFAOYSA-N"	"?"
"3346"	"32388-56-0"	"Ethanone, 1-(1,3,4,4a,5,6,7-hexahydro-2,5,5-trimethyl-2H-2,4a-ethanonaphthalen-8-yl)-"	"DTXSID0067680"	"CC1(C)CCC(=C2CC3(C)CCC12CC3)C(C)=O"	"InChI=1S/C17H26O/c1-12(18)13-5-6-15(2,3)17-9-7-16(4,8-10-17)11-14(13)17/h5-11H2,1-4H3"	"QDPCSMUJYFCULY-UHFFFAOYSA-N"	"?"
"3347"	"20249-05-2"	"Acetamide, N-[3-[bis[2-(acetyloxy)ethyl]amino]-4-ethoxyphenyl]-"	"DTXSID0066581"	"CCOC1C=CC(=CC=1N(CCOC(C)=O)CCOC(C)=O)NC(C)=O"	"InChI=1S/C18H26N2O6/c1-5-24-18-7-6-16(19-13(2)21)12-17(18)20(8-10-25-14(3)22)9-11-26-15(4)23/h6-7,12H,5,8-11H2,1-4H3,(H,19,21)"	"PJCAOXWCMOVGQL-UHFFFAOYSA-N"	"?"
"3348"	"57813-59-9"	"2-Mercaptoethyl octanoate"	"DTXSID0069204"	"CCCCCCCC(=O)OCCS"	"InChI=1S/C10H20O2S/c1-2-3-4-5-6-7-10(11)12-8-9-13/h13H,2-9H2,1H3"	"BHWWTWCFLZECFZ-UHFFFAOYSA-N"	"?"
"3349"	"36001-88-4"	"Amiprofos-methyl"	"DTXSID4041600"	"CC1C=CC(OP(=S)(NC(C)C)OC)=C(C=1)[N+]([O-])=O"	"InChI=1S/C11H17N2O4PS/c1-8(2)12-18(19,16-4)17-11-6-5-9(3)7-10(11)13(14)15/h5-8H,1-4H3,(H,12,19)"	"VHEWQRWLIDWRMR-UHFFFAOYSA-N"	"?"
"3350"	"1508-65-2"	"Oxybutynin chloride"	"DTXSID3045356"	"CCN(CC#CCOC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1)CC"	"InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3"	"XIQVNETUBQGFHX-UHFFFAOYSA-N"	"Cl"
"3351"	"64057-52-9"	"Acetamide, N-3-dibenzothienyl-"	"DTXSID20214203"	"CC(=O)NC1C=C2SC3=CC=CC=C3C2=CC=1"	"InChI=1S/C14H11NOS/c1-9(16)15-10-6-7-12-11-4-2-3-5-13(11)17-14(12)8-10/h2-8H,1H3,(H,15,16)"	"KPOVNLZGDMDGIK-UHFFFAOYSA-N"	"?"
"3352"	"75274-13-4"	"Acetic acid, ((6-(2-methoxyethoxy)-4-pyrimidinyl)amino)oxo-, ethyl ester"	"DTXSID30226236"	"COCCOC1=CC(NC(=O)C(=O)OCC)=NC=N1"	"InChI=1S/C11H15N3O5/c1-3-18-11(16)10(15)14-8-6-9(13-7-12-8)19-5-4-17-2/h6-7H,3-5H2,1-2H3,(H,12,13,14,15)"	"HOOZHVDIZZXWGT-UHFFFAOYSA-N"	"?"
"3353"	"3737-76-6"	"Benzo[a]naphth[2,3-h]acridine-5,8,13(14H)-trione"	"DTXSID0063155"	"OC1=C2C3=CC=CC=C3C=CC2=NC2=C3C(=CC=C21)C(=O)C1=CC=CC=C1C3=O"	"InChI=1S/C25H13NO3/c27-23-15-7-3-4-8-16(15)24(28)21-17(23)10-11-18-22(21)26-19-12-9-13-5-1-2-6-14(13)20(19)25(18)29/h1-12H,(H,26,29)"	"UYDYTUHDRBBLFB-UHFFFAOYSA-N"	"?"
"3354"	"35171-26-7"	"2,4-Bis(5,6-diphenyl-1,2,4-triazin-3-yl)pyridine"	"DTXSID0067894"	"C1C(=NC=CC=1C1=NC(=C(N=N1)C1C=CC=CC=1)C1C=CC=CC=1)C1=NC(=C(N=N1)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C35H23N7/c1-5-13-24(14-6-1)30-32(26-17-9-3-10-18-26)39-41-34(37-30)28-21-22-36-29(23-28)35-38-31(25-15-7-2-8-16-25)33(40-42-35)27-19-11-4-12-20-27/h1-23H"	"VPFRKCLANRPJBN-UHFFFAOYSA-N"	"?"
"3355"	"10132-07-7"	"4-Pyrimidinamine, 2,6-dichloro-"	"DTXSID0064961"	"NC1C=C(Cl)N=C(Cl)N=1"	"InChI=1S/C4H3Cl2N3/c5-2-1-3(7)9-4(6)8-2/h1H,(H2,7,8,9)"	"UPVBKNZVOJNQKE-UHFFFAOYSA-N"	"?"
"3356"	"53471-74-2"			"CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(=O)N(C)C)C2CC1C1C3C(=O)OC1=O"	"InChI=1S/C26H37NO4/c1-14(2)16-13-26-11-8-17-24(3,9-7-10-25(17,4)23(30)27(5)6)18(26)12-15(16)19-20(26)22(29)31-21(19)28/h13-15,17-20H,7-12H2,1-6H3"	"VAHSSTSUDBYOCP-UHFFFAOYSA-N"	"?"
"3357"	"7449-74-3"	"Acetamide, N-methyl-N-(trimethylsilyl)-"	"DTXSID0064707"	"CC(=O)N(C)[Si](C)(C)C"	"InChI=1S/C6H15NOSi/c1-6(8)7(2)9(3,4)5/h1-5H3"	"QHUOBLDKFGCVCG-UHFFFAOYSA-N"	"?"
"3358"	"20850-43-5"	"1,3-Benzodioxole, 5-(chloromethyl)-"	"DTXSID0066660"	"ClCC1=CC2OCOC=2C=C1"	"InChI=1S/C8H7ClO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5H2"	"DWSUJONSJJTODA-UHFFFAOYSA-N"	"?"
"3359"	"102771-12-0"	"Nerisopam"	"DTXSID90145499"	"CC1CC2C=C(OC)C(=CC=2C(=NN=1)C1=CC=C(N)C=C1)OC"	"InChI=1S/C18H19N3O2/c1-11-8-13-9-16(22-2)17(23-3)10-15(13)18(21-20-11)12-4-6-14(19)7-5-12/h4-7,9-10H,8,19H2,1-3H3"	"WWQDEXGFYVSTCX-UHFFFAOYSA-N"	"?"
"3360"	"14637-08-2"	"Benzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-5-methoxy-3-(3-sulfopropyl)-, inner salt"	"DTXSID0065800"	"COC1=CC2=C(C=C1)S/C(=C\C(\CC)=C\C1SC3=CC=C(C=C3[N+]=1CCCS([O-])(=O)=O)OC)/N2CC"	"InChI=1S/C26H30N2O5S3/c1-5-18(14-25-27(6-2)21-16-19(32-3)8-10-23(21)34-25)15-26-28(12-7-13-36(29,30)31)22-17-20(33-4)9-11-24(22)35-26/h8-11,14-17H,5-7,12-13H2,1-4H3"	"BPVXRCNZOAFWOB-UHFFFAOYSA-N"	"?"
"3361"	"75274-26-9"	"Acetic acid, ((6-((2-methoxyethyl)thio)-2-methyl-4-pyrimidinyl)amino)oxo-, ethyl ester"	"DTXSID00226248"	"CC1N=C(C=C(N=1)SCCOC)NC(=O)C(=O)OCC"	"InChI=1S/C12H17N3O4S/c1-4-19-12(17)11(16)15-9-7-10(14-8(2)13-9)20-6-5-18-3/h7H,4-6H2,1-3H3,(H,13,14,15,16)"	"MBOFHCHKFUGXBF-UHFFFAOYSA-N"	"?"
"3362"	"4935-68-6"	"Pentasiloxane, dodecaethoxy-"	"DTXSID0063652"	"CCO[Si](O[Si](O[Si](O[Si](OCC)(OCC)OCC)(OCC)OCC)(OCC)OCC)(O[Si](OCC)(OCC)OCC)OCC"	"InChI=1S/C24H60O16Si5/c1-13-25-41(26-14-2,27-15-3)37-43(31-19-7,32-20-8)39-45(35-23-11,36-24-12)40-44(33-21-9,34-22-10)38-42(28-16-4,29-17-5)30-18-6/h13-24H2,1-12H3"	"XGNHNODGNBXORF-UHFFFAOYSA-N"	"?"
"3363"	"5330-66-5"	"2-Propanone, 1-(2-nitrophenoxy)-"	"DTXSID0063783"	"CC(=O)COC1C=CC=CC=1[N+]([O-])=O"	"InChI=1S/C9H9NO4/c1-7(11)6-14-9-5-3-2-4-8(9)10(12)13/h2-5H,6H2,1H3"	"PYVMIAYOZLGBQM-UHFFFAOYSA-N"	"?"
"3364"	"62781-23-1"	"2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl)propyl)-"	"DTXSID50211846"	"O=C1NC2=CC=CC=C2N1CCCN1CCC(CC1)N1C2=CC=CC=C2NC1=O"	"InChI=1S/C22H25N5O2/c28-21-23-17-6-1-3-8-19(17)26(21)13-5-12-25-14-10-16(11-15-25)27-20-9-4-2-7-18(20)24-22(27)29/h1-4,6-9,16H,5,10-15H2,(H,23,28)(H,24,29)"	"OBHDXMCUKJATHF-UHFFFAOYSA-N"	"?"
"3365"	"34580-64-8"	"Acetic acid, ((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)- (9CI)"	"DTXSID80188138"	"OC(=O)COC1=NN(C2=NC=CC=C21)C1C=C(C=CC=1)C(F)(F)F"	"InChI=1S/C15H10F3N3O3/c16-15(17,18)9-3-1-4-10(7-9)21-13-11(5-2-6-19-13)14(20-21)24-8-12(22)23/h1-7H,8H2,(H,22,23)"	"OSBPZONQNBPENH-UHFFFAOYSA-N"	"?"
"3366"	"848820-98-4"	"6H-Dibenz[c,e][1,2]oxaphosphorin-6-propanoic acid, butyl ester, 6-oxide"	"DTXSID80872803"	"CCCCOC(=O)CCP1(=O)OC2C=CC=CC=2C2C=CC=CC1=2"	"InChI=1S/C19H21O4P/c1-2-3-13-22-19(20)12-14-24(21)18-11-7-5-9-16(18)15-8-4-6-10-17(15)23-24/h4-11H,2-3,12-14H2,1H3"	"JBEHRBTVEGZLAF-UHFFFAOYSA-N"	"?"
"3367"	"13764-35-7"	"RP 7360"	"DTXSID40160253"	"CCN(CCSC(=S)N1C2C=CC=CC=2SC2C=CC=CC1=2)CC"	"InChI=1S/C19H22N2S3/c1-3-20(4-2)13-14-23-19(22)21-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)21/h5-12H,3-4,13-14H2,1-2H3"	"MICZDVBNDKRSSR-UHFFFAOYSA-N"	"?"
"3368"	"16597-65-2"	"Butanoic acid, 2-(dimethylamino)ethyl ester"	"DTXSID0066088"	"CCCC(=O)OCCN(C)C"	"InChI=1S/C8H17NO2/c1-4-5-8(10)11-7-6-9(2)3/h4-7H2,1-3H3"	"NCOVMJHPLAYTJS-UHFFFAOYSA-N"	"?"
"3369"	"137521-59-6"			"CC(=O)C(N=NC1C=CC(=CC=1[N+]([O-])=O)OC)C(=O)NC"	"InChI=1S/C12H14N4O5/c1-7(17)11(12(18)13-2)15-14-9-5-4-8(21-3)6-10(9)16(19)20/h4-6,11H,1-3H3,(H,13,18)"	"IMUACABZWYQKPZ-UHFFFAOYSA-N"	"?"
"3370"	"10031-71-7"	"Propanoic acid, 2-methyl-, 1,1-dimethyl-3-phenylpropyl ester"	"DTXSID0064915"	"CC(C)C(=O)OC(C)(C)CCC1C=CC=CC=1"	"InChI=1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3"	"WCEXWNUHYPYHDN-UHFFFAOYSA-N"	"?"
"3371"	"116979-28-3"			"CN1CC(CC2C1CC1=CNC3C=CC=C2C1=3)C1=CC=NN1C"	"InChI=1S/C19H22N4/c1-22-11-13(17-6-7-21-23(17)2)8-15-14-4-3-5-16-19(14)12(10-20-16)9-18(15)22/h3-7,10,13,15,18,20H,8-9,11H2,1-2H3"	"BOBRHRIQEWERCH-UHFFFAOYSA-N"	"?"
"3372"	"540-63-6"	"Ethane-1,2-dithiol"	"DTXSID9052187"	"SCCS"	"InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2"	"VYMPLPIFKRHAAC-UHFFFAOYSA-N"	"?"
"3373"	"1178-99-0"	"U-10520A"	"DTXSID30151913"	"COC1=CC2CCC(=C(C=2C=C1)C1C=CC(=CC=1)OCCN(CC)CC)C1C=CC=CC=1"	"InChI=1S/C29H33NO2/c1-4-30(5-2)19-20-32-25-14-11-23(12-15-25)29-27(22-9-7-6-8-10-22)17-13-24-21-26(31-3)16-18-28(24)29/h6-12,14-16,18,21H,4-5,13,17,19-20H2,1-3H3"	"LMNAQEJWMWBYLC-UHFFFAOYSA-N"	"Cl"
"3374"	"10233-14-4"	"9-Octadecenoic acid (9Z)-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester"	"DTXSID0065010"	"CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOCCO"	"InChI=1S/C24H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)29-23-22-28-21-20-27-19-18-25/h9-10,25H,2-8,11-23H2,1H3"	"RMLRKDHXZUVGCH-UHFFFAOYSA-N"	"?"
"3375"	"22397-33-7"	"1,2,4,5-Tetroxonane, 3,3,6,6,9,9-hexamethyl-"	"DTXSID0066791"	"CC1(C)OOC(C)(C)CCC(C)(C)OO1"	"InChI=1S/C11H22O4/c1-9(2)7-8-10(3,4)13-15-11(5,6)14-12-9/h7-8H2,1-6H3"	"QRIQYQXNFSXNGR-UHFFFAOYSA-N"	"?"
"3376"	"7324-87-0"	"Propanedioic acid, [(2,5-dimethoxyphenyl)methylene]-, diethyl ester"	"DTXSID0064626"	"COC1=CC(C=C(C(=O)OCC)C(=O)OCC)=C(C=C1)OC"	"InChI=1S/C16H20O6/c1-5-21-15(17)13(16(18)22-6-2)10-11-9-12(19-3)7-8-14(11)20-4/h7-10H,5-6H2,1-4H3"	"SDKURJSMAYMSOF-UHFFFAOYSA-N"	"?"
"3377"	"52337-70-9"	"Guanidine, (hydroxymethyl)-, monohydrochloride"	"DTXSID0068737"	"NC(=N)NCO"	"InChI=1S/C2H7N3O/c3-2(4)5-1-6/h6H,1H2,(H4,3,4,5)"	"MBEVSMZJMIQVBG-UHFFFAOYSA-N"	"Cl"
"3378"	"4866-00-6"	"4-Methyloxazole-5-carboxamide"	"DTXSID30197573"	"CC1N=COC=1C(N)=O"	"InChI=1S/C5H6N2O2/c1-3-4(5(6)8)9-2-7-3/h2H,1H3,(H2,6,8)"	"HBKBZJZRIWAICY-UHFFFAOYSA-N"	"?"
"3379"	"121-57-3"	"4-Aminobenzenesulfonic acid"	"DTXSID6024464"	"NC1=CC=C(C=C1)S(O)(=O)=O"	"InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)"	"HVBSAKJJOYLTQU-UHFFFAOYSA-N"	"?"
"3380"	"24000-79-1"	"1,4-Benzenedicarboxylic acid, monomethyl ester, 2-[4-(methoxycarbonyl)benzoyl]hydrazide"	"DTXSID0066951"	"COC(=O)C1C=CC(=CC=1)C(=O)NNC(=O)C1C=CC(=CC=1)C(=O)OC"	"InChI=1S/C18H16N2O6/c1-25-17(23)13-7-3-11(4-8-13)15(21)19-20-16(22)12-5-9-14(10-6-12)18(24)26-2/h3-10H,1-2H3,(H,19,21)(H,20,22)"	"SEXGSNWMMFQJIL-UHFFFAOYSA-N"	"?"
"3381"	"19089-55-5"	"Benzoic acid, 3,5-disulfo-, disodium salt"	"DTXSID0066454"	"OC(=O)C1C=C(C=C(C=1)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C7H6O8S2/c8-7(9)4-1-5(16(10,11)12)3-6(2-4)17(13,14)15/h1-3H,(H,8,9)(H,10,11,12)(H,13,14,15)"	"LZRAAMHXKXNHEF-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3382"	"4763-79-5"	"Benzoic acid, 4-[2-[4-(2-benzoxazolyl)phenyl]ethenyl]-"	"DTXSID0063600"	"OC(=O)C1C=CC(C=CC2C=CC(=CC=2)C2=NC3=CC=CC=C3O2)=CC=1"	"InChI=1S/C22H15NO3/c24-22(25)18-13-9-16(10-14-18)6-5-15-7-11-17(12-8-15)21-23-19-3-1-2-4-20(19)26-21/h1-14H,(H,24,25)"	"LKYXNMIEWBYPGZ-UHFFFAOYSA-N"	"?"
"3383"	"6544-02-1"	"Silane, tetraisothiocyanato-"	"DTXSID0064410"	"S=C=N[Si](N=C=S)(N=C=S)N=C=S"	"InChI=1S/C4N4S4Si/c9-1-5-13(6-2-10,7-3-11)8-4-12"	"NOGBKWXHNPDHFA-UHFFFAOYSA-N"	"?"
"3384"	"35161-67-2"	"Ethanol, 2-(pentylamino)-"	"DTXSID0067892"	"CCCCCNCCO"	"InChI=1S/C7H17NO/c1-2-3-4-5-8-6-7-9/h8-9H,2-7H2,1H3"	"SALYKAIZVOFAEJ-UHFFFAOYSA-N"	"?"
"3385"	"5756-24-1"	"Tetrasulfide, dimethyl"	"DTXSID0063997"	"CSSSSC"	"InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3"	"NPNIZCVKXVRCHF-UHFFFAOYSA-N"	"?"
"3386"	"53510-49-9"	"9H-Xanthene-3,6-diamine, N,N,N',N'-tetramethyl-"	"DTXSID0068860"	"CN(C)C1C=C2OC3C=C(C=CC=3CC2=CC=1)N(C)C"	"InChI=1S/C17H20N2O/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14/h5-8,10-11H,9H2,1-4H3"	"GQXCVTPPQVJMIF-UHFFFAOYSA-N"	"?"
"3387"	"121-03-9"	"2-Methyl-5-nitrobenzenesulfonic acid"	"DTXSID4026975"	"CC1=CC=C(C=C1S(O)(=O)=O)[N+]([O-])=O"	"InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)"	"ZDTXQHVBLWYPHS-UHFFFAOYSA-N"	"?"
"3388"	"6416-57-5"	"1,3-Benzenediamine, 4-[2-(1-naphthalenyl)diazenyl]-"	"DTXSID0064339"	"NC1C=C(N)C=CC=1N=NC1C=CC=C2C=CC=CC2=1"	"InChI=1S/C16H14N4/c17-12-8-9-16(14(18)10-12)20-19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,17-18H2"	"AHWMWMNEYBHQNL-UHFFFAOYSA-N"	"?"
"3389"	"55764-22-2"	"Ethanethioic acid, S-(2,5-dimethyl-3-furanyl) ester"	"DTXSID0069046"	"CC1OC(C)=CC=1SC(C)=O"	"InChI=1S/C8H10O2S/c1-5-4-8(6(2)10-5)11-7(3)9/h4H,1-3H3"	"LULNJORVPBVGRB-UHFFFAOYSA-N"	"?"
"3390"	"41434-28-0"	"4-Thiazolidinone, 5,5-dimethyl-2-thioxo-"	"DTXSID0068311"	"CC1(C)SC(=S)NC1=O"	"InChI=1S/C5H7NOS2/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)"	"QAZFSCRQNWGQDE-UHFFFAOYSA-N"	"?"
"3391"	"4926-55-0"	"Ethanol, 2-[(2-nitrophenyl)amino]-"	"DTXSID0063650"	"[O-][N+](=O)C1C=CC=CC=1NCCO"	"InChI=1S/C8H10N2O3/c11-6-5-9-7-3-1-2-4-8(7)10(12)13/h1-4,9,11H,5-6H2"	"LFOUYKNCQNVIGI-UHFFFAOYSA-N"	"?"
"3392"	"131-55-5"	"2,2',4,4'-Tetrahydroxybenzophenone"	"DTXSID5041306"	"OC1C=C(O)C=CC=1C(=O)C1=CC=C(O)C=C1O"	"InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H"	"WXNRYSGJLQFHBR-UHFFFAOYSA-N"	"?"
"3393"	"5331-77-1"	"Sodium behenate"	"DTXSID0063785"	"CCCCCCCCCCCCCCCCCCCCCC(O)=O"	"InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)"	"UKMSUNONTOPOIO-UHFFFAOYSA-N"	"[Na+]"
"3394"	"52712-76-2"	"Bunazosin hydrochloride"	"DTXSID7048588"	"CCCC(=O)N1CCCN(CC1)C1=NC2C=C(OC)C(=CC=2C(N)=N1)OC"	"InChI=1S/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22)"	"RHLJLALHBZGAFM-UHFFFAOYSA-N"	"Cl"
"3395"	"18143-33-4"	"Dimethyl(chloromethyl)methoxysilane"	"DTXSID40339987"	"CO[Si](C)(C)CCl"	"InChI=1S/C4H11ClOSi/c1-6-7(2,3)4-5/h4H2,1-3H3"	"ZCSLOBFDVTWIBL-UHFFFAOYSA-N"	"?"
"3396"	"1961-77-9"	"Chlormadinone"	"DTXSID3022796"	"CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC12C"	"InChI=1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3"	"VUHJZBBCZGVNDZ-UHFFFAOYSA-N"	"?"
"3397"	"10031-90-0"	"Ethyl 2-furanpropionate"	"DTXSID0064917"	"CCOC(=O)CCC1=CC=CO1"	"InChI=1S/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3"	"OWIWZQQFSTZZIG-UHFFFAOYSA-N"	"?"
"3398"	"4955-90-2"	"Benzoic acid, 2,5-dihydroxy-, monosodium salt"	"DTXSID0063656"	"OC1C=C(C(O)=O)C(O)=CC=1"	"InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)"	"WXTMDXOMEHJXQO-UHFFFAOYSA-N"	"[Na+]"
"3399"	"18017-31-7"	"Hexanoyl fluoride, 2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)-"	"DTXSID0066296"	"O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F"	"InChI=1S/C7F14O/c8-1(22)2(9,10)4(12,13)5(14,15)3(11,6(16,17)18)7(19,20)21"	"JQXGQDNUXYODIT-UHFFFAOYSA-N"	"?"
"3400"	"4551-15-9"	"Silane, trimethyl(phenylthio)-"	"DTXSID0063523"	"C[Si](C)(C)SC1C=CC=CC=1"	"InChI=1S/C9H14SSi/c1-11(2,3)10-9-7-5-4-6-8-9/h4-8H,1-3H3"	"VJMQFIRIMMSSRW-UHFFFAOYSA-N"	"?"
"3401"	"2631-37-0"	"Promecarb"	"DTXSID4037617"	"CC1C=C(C=C(C=1)OC(=O)NC)C(C)C"	"InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)"	"DTAPQAJKAFRNJB-UHFFFAOYSA-N"	"?"
"3402"	"61-90-5"	"Leucine"	"DTXSID9023203"	"CC(C)CC(N)C(O)=O"	"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)"	"ROHFNLRQFUQHCH-UHFFFAOYSA-N"	"?"
"3403"	"4218-87-5"	"1,2-Diallyloxybenzene"	"DTXSID0063361"	"C=CCOC1C=CC=CC=1OCC=C"	"InChI=1S/C12H14O2/c1-3-9-13-11-7-5-6-8-12(11)14-10-4-2/h3-8H,1-2,9-10H2"	"GZWLFCGQNCRLIN-UHFFFAOYSA-N"	"?"
"3404"	"76-01-7"	"Pentachloroethane"	"DTXSID7021104"	"ClC(Cl)C(Cl)(Cl)Cl"	"InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H"	"BNIXVQGCZULYKV-UHFFFAOYSA-N"	"?"
"3405"	"2746-81-8"	"Fluphenazine enanthate"	"DTXSID6023070"	"CCCCCCC(=O)OCCN1CCN(CCCN2C3C=C(C=CC=3SC3C=CC=CC2=3)C(F)(F)F)CC1"	"InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3"	"LRWSFOSWNAQHHW-UHFFFAOYSA-N"	"?"
"3406"	"520-45-6"	"Dehydroacetic acid"	"DTXSID6020014"	"CC(=O)C1C(=O)C=C(C)OC1=O"	"InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3"	"PGRHXDWITVMQBC-UHFFFAOYSA-N"	"?"
"3407"	"10032-05-0"	"Heptane, 1,1-dimethoxy-"	"DTXSID0064919"	"CCCCCCC(OC)OC"	"InChI=1S/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3"	"BBMCNYFBAIUERL-UHFFFAOYSA-N"	"?"
"3408"	"106-58-1"	"1,4-Dimethylpiperazine"	"DTXSID8051544"	"CN1CCN(C)CC1"	"InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3"	"RXYPXQSKLGGKOL-UHFFFAOYSA-N"	"?"
"3409"	"55036-57-2"	"Benzoxazolium, 2-[2-(phenylamino)ethenyl]-3-(3-sulfopropyl)-, inner salt"	"DTXSID0068995"	"[O-]S(=O)(=O)CCC[N+]1C2=CC=CC=C2OC=1CC=NC1C=CC=CC=1"	"InChI=1S/C18H18N2O4S/c21-25(22,23)14-6-13-20-16-9-4-5-10-17(16)24-18(20)11-12-19-15-7-2-1-3-8-15/h1-5,7-10,12H,6,11,13-14H2"	"BSFDROFBSXYGGE-UHFFFAOYSA-N"	"?"
"3410"	"71-81-8"	"Isopropamide iodide"	"DTXSID30221221"	"C[N+](CCC(C(N)=O)(C1C=CC=CC=1)C1C=CC=CC=1)(C(C)C)C(C)C"	"InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1"	"JTPUMZTWMWIVPA-UHFFFAOYSA-O"	"[I-]"
"3411"	"29761-21-5"			"CC(C)CCCCCCCOP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"InChI=1S/C22H31O4P/c1-20(2)14-8-4-3-5-13-19-24-27(23,25-21-15-9-6-10-16-21)26-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3"	"RYUJRXVZSJCHDZ-UHFFFAOYSA-N"	"?"
"3412"	"701-54-2"			"NCC1CCC(CC1)C(O)=O"	"InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)"	"GYDJEQRTZSCIOI-UHFFFAOYSA-N"	"?"
"3413"	"28994-41-4"	"Phenol, 2-(phenylmethyl)-"	"DTXSID0067428"	"OC1C=CC=CC=1CC1C=CC=CC=1"	"InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2"	"CDMGNVWZXRKJNS-UHFFFAOYSA-N"	"?"
"3414"	"26309-95-5"	"Pivampicillin hydrochloride"	"DTXSID90180926"	"CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)C1C=CC=CC=1)C2=O"	"InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)"	"ZEMIJUDPLILVNQ-UHFFFAOYSA-N"	"Cl"
"3415"	"16766-09-9"	"Acetamide, N,N'-(dithiodi-4,1-phenylene)bis-"	"DTXSID0066117"	"CC(=O)NC1C=CC(=CC=1)SSC1C=CC(=CC=1)NC(C)=O"	"InChI=1S/C16H16N2O2S2/c1-11(19)17-13-3-7-15(8-4-13)21-22-16-9-5-14(6-10-16)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)"	"XDZOVXPAGVIXBS-UHFFFAOYSA-N"	"?"
"3416"	"94-13-3"	"Propylparaben"	"DTXSID4022527"	"CCCOC(=O)C1C=CC(O)=CC=1"	"InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3"	"QELSKZZBTMNZEB-UHFFFAOYSA-N"	"?"
"3417"	"4774-14-5"	"2,6-Dichloropyrazine"	"DTXSID0063602"	"ClC1C=NC=C(Cl)N=1"	"InChI=1S/C4H2Cl2N2/c5-3-1-7-2-4(6)8-3/h1-2H"	"LSEAAPGIZCDEEH-UHFFFAOYSA-N"	"?"
"3418"	"29461-03-8"	"Pyrazine, 2-methyl-5-propyl-"	"DTXSID0067472"	"CC1C=NC(CCC)=CN=1"	"InChI=1S/C8H12N2/c1-3-4-8-6-9-7(2)5-10-8/h5-6H,3-4H2,1-2H3"	"DAOYAWODBHNYDA-UHFFFAOYSA-N"	"?"
"3419"	"6601-20-3"	"Thiourea, N,N'-di-2-propenyl-"	"DTXSID0064416"	"C=CCNC(=S)NCC=C"	"InChI=1S/C7H12N2S/c1-3-5-8-7(10)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9,10)"	"DZZWKUMHMSNBSG-UHFFFAOYSA-N"	"?"
"3420"	"13414-55-6"	"Benzofuran, 2,3-dihydro-2,2-dimethyl-7-nitro-"	"DTXSID0065438"	"CC1(C)CC2=CC=CC(=C2O1)[N+]([O-])=O"	"InChI=1S/C10H11NO3/c1-10(2)6-7-4-3-5-8(11(12)13)9(7)14-10/h3-5H,6H2,1-2H3"	"ZQZNLPNVEXRNNG-UHFFFAOYSA-N"	"?"
"3421"	"158062-67-0"	"Flonicamid"	"DTXSID8034611"	"N#CCNC(=O)C1=CN=CC=C1C(F)(F)F"	"InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)"	"RLQJEEJISHYWON-UHFFFAOYSA-N"	"?"
"3422"	"4792-83-0"	"Diazene, bis(4-ethoxyphenyl)-, 1-oxide"	"DTXSID0063608"	"CCOC1C=CC(=CC=1)N(=O)=NC1C=CC(=CC=1)OCC"	"InChI=1S/C16H18N2O3/c1-3-20-15-9-5-13(6-10-15)17-18(19)14-7-11-16(12-8-14)21-4-2/h5-12H,3-4H2,1-2H3"	"QUICZVHSJNKDBL-UHFFFAOYSA-N"	"?"
"3423"	"12225-08-0"	"C.I. Pigment Violet 32"	"DTXSID0065278"	"CNS(=O)(=O)C1=CC(OC)=C(C=C1OC)N=NC1C(O)=C(C=C2C=CC=CC2=1)C(=O)NC1C=C2NC(=O)NC2=CC=1"	"InChI=1S/C27H24N6O7S/c1-28-41(37,38)23-13-21(39-2)20(12-22(23)40-3)32-33-24-16-7-5-4-6-14(16)10-17(25(24)34)26(35)29-15-8-9-18-19(11-15)31-27(36)30-18/h4-13,28,34H,1-3H3,(H,29,35)(H2,30,31,36)"	"UYYYMGPWQPIMAL-UHFFFAOYSA-N"	"?"
"3424"	"37395-76-9"	"Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-"	"DTXSID0068028"	"CC(=O)NC1=CC(=C(C=C1N=NC1C(Br)=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)OC)N(CCO)CCO"	"InChI=1S/C19H21BrN6O8/c1-11(29)21-14-9-16(24(3-5-27)4-6-28)18(34-2)10-15(14)22-23-19-13(20)7-12(25(30)31)8-17(19)26(32)33/h7-10,27-28H,3-6H2,1-2H3,(H,21,29)"	"OGRKIVPKJJWCRE-UHFFFAOYSA-N"	"?"
"3425"	"60585-57-1"	"1-Propanaminium, N,N,N-trimethyl-3-[[(9Z)-1-oxo-9-octadecenyl]amino]-, methyl sulfate"	"DTXSID0069410"	"CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](C)(C)C"	"InChI=1S/C24H48N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25-22-20-23-26(2,3)4/h12-13H,5-11,14-23H2,1-4H3/p+1"	"NACAOHGUILYSHM-UHFFFAOYSA-O"	"S(OC)(=O)(=O)[O-]"
"3426"	"54306-03-5"	"2,4-Tetradecadienal"	"DTXSID0068943"	"CCCCCCCCCC=CC=CC=O"	"InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h10-14H,2-9H2,1H3"	"FKPVPINTWUDGAG-UHFFFAOYSA-N"	"?"
"3427"	"140-49-8"	"4'-(Chloroacetyl)acetanilide"	"DTXSID4020294"	"CC(=O)NC1C=CC(=CC=1)C(=O)CCl"	"InChI=1S/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)"	"VMMDOCYDNRLESP-UHFFFAOYSA-N"	"?"
"3428"	"4726-22-1"	"Phenol, 2-amino-4-[[2-(sulfooxy)ethyl]sulfonyl]-"	"DTXSID0063577"	"NC1C=C(C=CC=1O)S(=O)(=O)CCOS(O)(=O)=O"	"InChI=1S/C8H11NO7S2/c9-7-5-6(1-2-8(7)10)17(11,12)4-3-16-18(13,14)15/h1-2,5,10H,3-4,9H2,(H,13,14,15)"	"SLLSIPBBZZFAKY-UHFFFAOYSA-N"	"?"
"3429"	"51015-29-3"	"1(2H)-Naphthalenone, 3,4-dihydro-6-methyl-"	"DTXSID0068608"	"CC1C=C2CCCC(=O)C2=CC=1"	"InChI=1S/C11H12O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h5-7H,2-4H2,1H3"	"FPOGGJAFMWYNLI-UHFFFAOYSA-N"	"?"
"3430"	"6714-00-7"	"5-Hepten-2-one"	"DTXSID0064460"	"CC=CCCC(C)=O"	"InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-4H,5-6H2,1-2H3"	"RTYRONIMTRDBLT-UHFFFAOYSA-N"	"?"
"3431"	"60066-88-8"	"2,6,11-Dodecatrienal, 2,6-dimethyl-10-methylene-"	"DTXSID0069383"	"CC(CCC=C(C)C=O)=CCCC(=C)C=C"	"InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3"	"NOPLRNXKHZRXHT-UHFFFAOYSA-N"	"?"
"3432"	"66-32-0"	"Strychnine nitrate"	"DTXSID80873370"	"O=C1CC2OCC=C3CN4CCC56C(C2C3CC54)N1C1=CC=CC=C61"	"InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2"	"QMGVPVSNSZLJIA-UHFFFAOYSA-N"	"O[N+]([O-])=O"
"3433"	"976-71-6"	"Canrenone"	"DTXSID3045930"	"CC12CCC3C(C=CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1"	"InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3"	"UJVLDDZCTMKXJK-UHFFFAOYSA-N"	"?"
"3434"	"4230-91-5"	"Benzothiazole, 2-[(2,4-dinitrophenyl)thio]-"	"DTXSID0063369"	"[O-][N+](=O)C1=CC(=CC=C1SC1=NC2=CC=CC=C2S1)[N+]([O-])=O"	"InChI=1S/C13H7N3O4S2/c17-15(18)8-5-6-12(10(7-8)16(19)20)22-13-14-9-3-1-2-4-11(9)21-13/h1-7H"	"RCPUUVXIUIWMEE-UHFFFAOYSA-N"	"?"
"3435"	"58327-23-4"			"CC1CC(CC(C)(C)C1)OC(=O)C(C)(C)OC1=CC(=CC=C1)C(F)(F)F"	"InChI=1S/C20H27F3O3/c1-13-9-16(12-18(2,3)11-13)25-17(24)19(4,5)26-15-8-6-7-14(10-15)20(21,22)23/h6-8,10,13,16H,9,11-12H2,1-5H3"	"ZQIKVVUTIPPKNE-UHFFFAOYSA-N"	"?"
"3436"	"41123-69-7"	"Ethanol, 2,2'-[methylenebis(sulfonyl)]bis-"	"DTXSID0068282"	"OCCS(=O)(=O)CS(=O)(=O)CCO"	"InChI=1S/C5H12O6S2/c6-1-3-12(8,9)5-13(10,11)4-2-7/h6-7H,1-5H2"	"FBKUSAIWUANQNH-UHFFFAOYSA-N"	"?"
"3437"	"35604-67-2"	"Viloxazine hydrochloride"	"DTXSID8057722"	"CCOC1C=CC=CC=1OCC1CNCCO1"	"InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3"	"YWPHCCPCQOJSGZ-UHFFFAOYSA-N"	"Cl"
"3438"	"120202-68-8"	"(2-Chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid--(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid (1/1)"	"DTXSID30621848"	"OC(=O)C(C1=CC=CC=C1Cl)N1CC2C=CSC=2CC1"	"InChI=1S/C15H14ClNO2S/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13/h1-4,6,8,14H,5,7,9H2,(H,18,19)"	"DCASRSISIKYPDD-UHFFFAOYSA-N"	"S(O)(=O)(=O)CC12C(C)(C)C(CC1)CC2=O"
"3439"	"31599-32-3"	"Benzenediazonium, 5-(aminocarbonyl)-2-methoxy-"	"DTXSID0067638"	"COC1C=CC(=CC=1[N+]#N)C(N)=O"	"InChI=1S/C8H7N3O2/c1-13-7-3-2-5(8(9)12)4-6(7)11-10/h2-4H,1H3,(H-,9,12)/p+1"	"YCZWPGJJYNAACC-UHFFFAOYSA-O"	"?"
"3440"	"4219-48-1"	"Dodecanoic acid, 2-hydroxyethyl ester"	"DTXSID0063363"	"CCCCCCCCCCCC(=O)OCCO"	"InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-12-15/h15H,2-13H2,1H3"	"CTXGTHVAWRBISV-UHFFFAOYSA-N"	"?"
"3441"	"5517-32-8"	"Phenol, 4-(1,1-dimethylethyl)-2-[[4-(phenylazo)phenyl]azo]-"	"DTXSID0063941"	"CC(C)(C)C1C=C(N=NC2C=CC(=CC=2)N=NC2C=CC=CC=2)C(O)=CC=1"	"InChI=1S/C22H22N4O/c1-22(2,3)16-9-14-21(27)20(15-16)26-25-19-12-10-18(11-13-19)24-23-17-7-5-4-6-8-17/h4-15,27H,1-3H3"	"BWVSXJCXZQBCNI-UHFFFAOYSA-N"	"?"
"3442"	"7774-65-4"	"Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester"	"DTXSID50864114"	"CC1CCC(CC=1)C(C)(C)OC(=O)C(C)C"	"InChI=1S/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,10,12H,7-9H2,1-5H3"	"SMQUXKIIXFOJKI-UHFFFAOYSA-N"	"?"
"3443"	"29462-74-6"	"Acetic acid, sulfo-, 1-hexadecyl ester, sodium salt"	"DTXSID0067474"	"CCCCCCCCCCCCCCCCOC(=O)CS(O)(=O)=O"	"InChI=1S/C18H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18(19)17-24(20,21)22/h2-17H2,1H3,(H,20,21,22)"	"YYRBJXOSDFMWTC-UHFFFAOYSA-N"	"[Na+]"
"3444"	"141-10-6"	"3,5,9-Undecatrien-2-one, 6,10-dimethyl-"	"DTXSID7029168"	"CC(C)=CCCC(C)=CC=CC(C)=O"	"InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3"	"JXJIQCXXJGRKRJ-UHFFFAOYSA-N"	"?"
"3445"	"52304-17-3"	"Isobutyl N,N-dimethylolcarbamate"	"DTXSID0068735"	"CC(C)COC(=O)N(CO)CO"	"InChI=1S/C7H15NO4/c1-6(2)3-12-7(11)8(4-9)5-10/h6,9-10H,3-5H2,1-2H3"	"SINROXZVULQBQU-UHFFFAOYSA-N"	"?"
"3446"	"20282-70-6"	"[1,1'-Biphenyl]-4,4'-bis(diazonium), 3,3'-dimethoxy-"	"DTXSID0066589"	"COC1C=C(C=CC=1[N+]#N)C1C=C(OC)C(=CC=1)[N+]#N"	"InChI=1S/C14H12N4O2/c1-19-13-7-9(3-5-11(13)17-15)10-4-6-12(18-16)14(8-10)20-2/h3-8H,1-2H3/q+2"	"QMMMCTXNYMSXLI-UHFFFAOYSA-N"	"?"
"3447"	"3819-00-9"	"Piperacetazine"	"DTXSID7023481"	"CC(=O)C1=CC2=C(C=C1)SC1=CC=CC=C1N2CCCN1CCC(CCO)CC1"	"InChI=1S/C24H30N2O2S/c1-18(28)20-7-8-24-22(17-20)26(21-5-2-3-6-23(21)29-24)13-4-12-25-14-9-19(10-15-25)11-16-27/h2-3,5-8,17,19,27H,4,9-16H2,1H3"	"BTFMCMVEUCGQDX-UHFFFAOYSA-N"	"?"
"3448"	"4724-89-4"	"1,3-Cyclohexadiene, 1,3,5,5-tetramethyl-"	"DTXSID0063575"	"CC1C=C(C)CC(C)(C)C=1"	"InChI=1S/C10H16/c1-8-5-9(2)7-10(3,4)6-8/h5-6H,7H2,1-4H3"	"SZHAWDAGEJWQJK-UHFFFAOYSA-N"	"?"
"3449"	"23386-52-9"	"Dicyclohexyl sodium sulfosuccinate"	"DTXSID8027826"	"OS(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1"	"InChI=1S/C16H26O7S/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13/h12-14H,1-11H2,(H,19,20,21)"	"QPSVFNQMURAADJ-UHFFFAOYSA-N"	"[Na+]"
"3450"	"43001-55-4"	"Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester"	"DTXSID0068442"	"CC(=O)NC1C=CC(=CC=1)S(=O)(=O)OC1C=CC=CC=1"	"InChI=1S/C14H13NO4S/c1-11(16)15-12-7-9-14(10-8-12)20(17,18)19-13-5-3-2-4-6-13/h2-10H,1H3,(H,15,16)"	"YTBSBFHQGLBQNI-UHFFFAOYSA-N"	"?"
"3451"	"80834-76-0"			"O=C(CCCN1CC=C(CC1)C1C=CC=CC=1)C1C=C2CCC(=O)NC2=CC=1"	"InChI=1S/C24H26N2O2/c27-23(21-8-10-22-20(17-21)9-11-24(28)25-22)7-4-14-26-15-12-19(13-16-26)18-5-2-1-3-6-18/h1-3,5-6,8,10,12,17H,4,7,9,11,13-16H2,(H,25,28)"	"RKXYUCZLLREYFR-UHFFFAOYSA-N"	"?"
"3452"	"623-26-7"	"1,4-Benzenedicarbonitrile"	"DTXSID1060768"	"N#CC1C=CC(=CC=1)C#N"	"InChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H"	"BHXFKXOIODIUJO-UHFFFAOYSA-N"	"?"
"3453"	"5870-29-1"	"Cyclopentolate hydrochloride"	"DTXSID9045390"	"CN(C)CCOC(=O)C(C1C=CC=CC=1)C1(O)CCCC1"	"InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3"	"SKYSRIRYMSLOIN-UHFFFAOYSA-N"	"Cl"
"3454"	"6358-26-5"	"Phenol, 4-[(9-ethyl-9H-carbazol-3-yl)amino]-"	"DTXSID0064250"	"CCN1C2C=CC(=CC=2C2C=CC=CC1=2)NC1C=CC(O)=CC=1"	"InChI=1S/C20H18N2O/c1-2-22-19-6-4-3-5-17(19)18-13-15(9-12-20(18)22)21-14-7-10-16(23)11-8-14/h3-13,21,23H,2H2,1H3"	"HJAHTYAEYAVPTB-UHFFFAOYSA-N"	"?"
"3455"	"6047-17-2"			"CCCCOCCCOC(=O)CCOC1C=C(Cl)C(Cl)=CC=1Cl"	"InChI=1S/C16H21Cl3O4/c1-2-3-6-21-7-4-8-23-16(20)5-9-22-15-11-13(18)12(17)10-14(15)19/h10-11H,2-9H2,1H3"	"UFYGEGSDUCLKNR-UHFFFAOYSA-N"	"?"
"3456"	"13382-43-9"	"5-Benzothiazolamine, 2-methyl-"	"DTXSID0065430"	"CC1=NC2=CC(N)=CC=C2S1"	"InChI=1S/C8H8N2S/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,9H2,1H3"	"GPWQHYMVUZYWIK-UHFFFAOYSA-N"	"?"
"3457"	"41451-01-8"			"OC(=O)CC1=CC=C(OCC(O)CO)C(Cl)=C1"	"InChI=1S/C11H13ClO5/c12-9-3-7(4-11(15)16)1-2-10(9)17-6-8(14)5-13/h1-3,8,13-14H,4-6H2,(H,15,16)"	"FWBDSMMEVOJFAT-UHFFFAOYSA-N"	"?"
"3458"	"102-77-2"	"N-Oxydiethylenebenzothiazole-2-sulfenamide"	"DTXSID0021096"	"C1COCCN1SC1=NC2C=CC=CC=2S1"	"InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2"	"MHKLKWCYGIBEQF-UHFFFAOYSA-N"	"?"
"3459"	"13623-10-4"	"1,4-Naphthalenediol, 5,6,7,8-tetrahydro-"	"DTXSID0065563"	"OC1C=CC(O)=C2CCCCC=12"	"InChI=1S/C10H12O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h5-6,11-12H,1-4H2"	"GVTDRUXHMYZTFF-UHFFFAOYSA-N"	"?"
"3460"	"157810-81-6"	"Indinavir sulfate"	"DTXSID1044221"	"CC(C)(C)NC(=O)C1CN(CC2=CN=CC=C2)CCN1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C(O)CC2C=CC=CC=21"	"InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)"	"CBVCZFGXHXORBI-UHFFFAOYSA-N"	"S(=O)(=O)(O)O"
"3461"	"5760-73-6"	"Propanenitrile, 3-[[2-[(2-aminoethyl)amino]ethyl]amino]-"	"DTXSID0063999"	"NCCNCCNCCC#N"	"InChI=1S/C7H16N4/c8-2-1-4-10-6-7-11-5-3-9/h10-11H,1,3-7,9H2"	"ORTUYCUWCKNIND-UHFFFAOYSA-N"	"?"
"3462"	"555-43-1"	"Glyceryl tristearate"	"DTXSID8047503"	"CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC"	"InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3"	"DCXXMTOCNZCJGO-UHFFFAOYSA-N"	"?"
"3463"	"54941-76-3"	"Methanone, (3,4-dichlorophenyl)(2-(1H-imidazol-2-yl)phenyl)-, monohydrochloride"	"DTXSID00203458"	"O=C(C1C=CC=CC=1C1NC=CN=1)C1C=C(Cl)C(Cl)=CC=1"	"InChI=1S/C16H10Cl2N2O/c17-13-6-5-10(9-14(13)18)15(21)11-3-1-2-4-12(11)16-19-7-8-20-16/h1-9H,(H,19,20)"	"ACHPJLVVPZRCSF-UHFFFAOYSA-N"	"Cl"
"3464"	"42986-15-2"	"Benzenesulfonic acid, 5-[[4-(methylamino)phenyl]azo]-2-[2-(4-nitro-2-sulfophenyl)ethenyl]-"	"DTXSID0068440"	"CNC1C=CC(=CC=1)N=NC1=CC(=C(C=CC2C=CC(=CC=2S(O)(=O)=O)[N+]([O-])=O)C=C1)S(O)(=O)=O"	"InChI=1S/C21H18N4O8S2/c1-22-16-7-9-17(10-8-16)23-24-18-6-4-14(20(12-18)34(28,29)30)2-3-15-5-11-19(25(26)27)13-21(15)35(31,32)33/h2-13,22H,1H3,(H,28,29,30)(H,31,32,33)"	"TVQLAFZNHARCJW-UHFFFAOYSA-N"	"?"
"3465"	"115-44-6"	"Talbutal"	"DTXSID8023630"	"CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O"	"InChI=1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)"	"BJVVMKUXKQHWJK-UHFFFAOYSA-N"	"?"
"3466"	"59719-67-4"	"Bis{2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethyl} hexane-1,6-diylbiscarbamate"	"DTXSID8044961"	"CC(C)C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C"	"InChI=1S/C24H46N4O6/c1-19(2)21-27(11-15-31-21)13-17-33-23(29)25-9-7-5-6-8-10-26-24(30)34-18-14-28-12-16-32-22(28)20(3)4/h19-22H,5-18H2,1-4H3,(H,25,29)(H,26,30)"	"KQYKAMMEDGWORJ-UHFFFAOYSA-N"	"?"
"3467"	"52830-71-4"	"Benzoic acid, 2,3,4,5-tetrachloro-6-[4-(diethylamino)-2-methylbenzoyl]-"	"DTXSID0068812"	"CC1C=C(C=CC=1C(=O)C1=C(C(O)=O)C(Cl)=C(Cl)C(Cl)=C1Cl)N(CC)CC"	"InChI=1S/C19H17Cl4NO3/c1-4-24(5-2)10-6-7-11(9(3)8-10)18(25)12-13(19(26)27)15(21)17(23)16(22)14(12)20/h6-8H,4-5H2,1-3H3,(H,26,27)"	"NCXVXMAFSITODE-UHFFFAOYSA-N"	"?"
"3468"	"17273-79-9"	"Sodium naphthalene-2-carboxylate"	"DTXSID10635605"	"OC(=O)C1C=C2C=CC=CC2=CC=1"	"InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)"	"UOBYKYZJUGYBDK-UHFFFAOYSA-N"	"[Na+]"
"3469"	"19808-30-1"	"5-Bromo-4(1H)-pyrimidinone"	"DTXSID0066533"	"OC1N=CN=CC=1Br"	"InChI=1S/C4H3BrN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)"	"CLJIGLPOBRSBNU-UHFFFAOYSA-N"	"?"
"3470"	"106-36-5"	"Propyl propionate"	"DTXSID4042337"	"CCC(=O)OCCC"	"InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3"	"MCSINKKTEDDPNK-UHFFFAOYSA-N"	"?"
"3471"	"53554-75-9"	"2-Propenoic acid, 3-[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]-2-cyano-, methyl ester"	"DTXSID0068868"	"COC(=O)C(=CC1=CC=C(C=C1C)N(CCOC(C)=O)CCOC(C)=O)C#N"	"InChI=1S/C20H24N2O6/c1-14-11-19(6-5-17(14)12-18(13-21)20(25)26-4)22(7-9-27-15(2)23)8-10-28-16(3)24/h5-6,11-12H,7-10H2,1-4H3"	"IJSRGFRRTNHCNS-UHFFFAOYSA-N"	"?"
"3472"	"18156-38-2"	"Disiloxane, methoxypentamethyl-"	"DTXSID0066325"	"C[Si](C)(C)O[Si](C)(C)OC"	"InChI=1S/C6H18O2Si2/c1-7-10(5,6)8-9(2,3)4/h1-6H3"	"DIBFCVPKSNXGHE-UHFFFAOYSA-N"	"?"
"3473"	"57834-50-1"	"Benzoic acid, 4-[[[[4-(ethoxycarbonyl)phenyl]amino]methylene]amino]-, ethyl ester"	"DTXSID0069208"	"CCOC(=O)C1C=CC(=CC=1)N/C=N/C1C=CC(=CC=1)C(=O)OCC"	"InChI=1S/C19H20N2O4/c1-3-24-18(22)14-5-9-16(10-6-14)20-13-21-17-11-7-15(8-12-17)19(23)25-4-2/h5-13H,3-4H2,1-2H3,(H,20,21)"	"GQCWLVKRYZIQBN-UHFFFAOYSA-N"	"?"
"3474"	"18719-58-9"	"Ethane, 1,1',1''-[methylidynetris(oxy)]tris[2-chloro-"	"DTXSID0066402"	"ClCCOC(OCCCl)OCCCl"	"InChI=1S/C7H13Cl3O3/c8-1-4-11-7(12-5-2-9)13-6-3-10/h7H,1-6H2"	"RKHRVKJTCSHZCR-UHFFFAOYSA-N"	"?"
"3475"	"39903-01-0"			"NC1=NC=C(Br)C=C1O"	"InChI=1S/C5H5BrN2O/c6-3-1-4(9)5(7)8-2-3/h1-2,9H,(H2,7,8)"	"YQADLKDQAXAIKW-UHFFFAOYSA-N"	"?"
"3476"	"24565-13-7"	"C.I. Fluorescent Brightener 208"	"DTXSID0067000"	"CCNC1N=C(NC2=CC(=C(C=C2)C=CC2=CC=C(C=C2S(O)(=O)=O)NC2N=C(NC3C=CC=CC=3)N=C(NCC)N=2)S(O)(=O)=O)N=C(NC2C=CC=CC=2)N=1"	"InChI=1S/C36H36N12O6S2/c1-3-37-31-43-33(39-25-11-7-5-8-12-25)47-35(45-31)41-27-19-17-23(29(21-27)55(49,50)51)15-16-24-18-20-28(22-30(24)56(52,53)54)42-36-46-32(38-4-2)44-34(48-36)40-26-13-9-6-10-14-26/h5-22H,3-4H2,1-2H3,(H,49,50,51)(H,52,53,54)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48)"	"HCPYVPARJNWQLE-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3477"	"60239-68-1"	"10-Undecenamide, N,N-bis(2-hydroxyethyl)-"	"DTXSID0069389"	"C=CCCCCCCCCC(=O)N(CCO)CCO"	"InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-15(19)16(11-13-17)12-14-18/h2,17-18H,1,3-14H2"	"NGENVFQAIKEQNS-UHFFFAOYSA-N"	"?"
"3478"	"15772-26-6"	"2-Butenedioic acid (2Z)-, mono[2-[(2-hydroxyethyl)phenylamino]ethyl] ester"	"DTXSID0065935"	"OC(=O)C=CC(=O)OCCN(CCO)C1C=CC=CC=1"	"InChI=1S/C14H17NO5/c16-10-8-15(12-4-2-1-3-5-12)9-11-20-14(19)7-6-13(17)18/h1-7,16H,8-11H2,(H,17,18)"	"PTTYCKUPSLRLBP-UHFFFAOYSA-N"	"?"
"3479"	"125930-50-9"			"CC(O)C(=O)C(O)C(O)C(O)OC1C=CC=C2C(C3C4=CC(=CC(O)=C4C(=O)C4C(=CC=CC=43)OC(O)C(=O)C(O)C(O)C(C)O)C(O)=O)C3=CC(=CC(O)=C3C(=O)C=12)C(O)=O"	"InChI=1S/C42H38O20/c1-13(43)31(47)35(51)37(53)41(59)61-23-7-3-5-17-25(19-9-15(39(55)56)11-21(45)27(19)33(49)29(17)23)26-18-6-4-8-24(62-42(60)38(54)36(52)32(48)14(2)44)30(18)34(50)28-20(26)10-16(40(57)58)12-22(28)46/h3-14,25-26,31,35-36,38,41-47,51-52,54,59-60H,1-2H3,(H,55,56)(H,57,58)"	"JZLAQQQZYKRNGW-UHFFFAOYSA-N"	"?"
"3480"	"111-88-6"	"1-Octanethiol"	"DTXSID4026894"	"CCCCCCCCS"	"InChI=1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3"	"KZCOBXFFBQJQHH-UHFFFAOYSA-N"	"?"
"3481"	"104931-87-5"	"Arbekacin sulfate"	"DTXSID0046694"	"NC1CCC(CN)OC1OC1C(O)C(OC2OC(CO)C(O)C(N)C2O)C(CC1N)NC(=O)C(O)CCN"	"InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)"	"MKKYBZZTJQGVCD-UHFFFAOYSA-N"	"S(=O)(=O)(O)O"
"3482"	"52285-42-4"	"Benzenamine, 4,4'-thiobis-, dihydrochloride"	"DTXSID0068731"	"NC1C=CC(=CC=1)SC1C=CC(N)=CC=1"	"InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2"	"ICNFHJVPAJKPHW-UHFFFAOYSA-N"	"Cl.Cl"
"3483"	"50649-73-5"	"Benzoic acid, 4-(pentyloxy)-, 4-cyanophenyl ester"	"DTXSID0068571"	"CCCCCOC1C=CC(=CC=1)C(=O)OC1C=CC(=CC=1)C#N"	"InChI=1S/C19H19NO3/c1-2-3-4-13-22-17-11-7-16(8-12-17)19(21)23-18-9-5-15(14-20)6-10-18/h5-12H,2-4,13H2,1H3"	"FPLRAAAFXGKWLJ-UHFFFAOYSA-N"	"?"
"3484"	"18151-86-5"	"Silicic acid (H4SiO4), bis(1,1-dimethylethyl) diethyl ester"	"DTXSID0066323"	"CC(C)(C)O[Si](OC(C)(C)C)(OCC)OCC"	"InChI=1S/C12H28O4Si/c1-9-13-17(14-10-2,15-11(3,4)5)16-12(6,7)8/h9-10H2,1-8H3"	"GQUUKQQWGMHLQK-UHFFFAOYSA-N"	"?"
"3485"	"20830-81-3"	"Daunorubicin"	"DTXSID7022883"	"CC(=O)C1(O)CC2=C(C(C1)OC1CC(N)C(O)C(C)O1)C(O)=C1C(C(=O)C3C=CC=C(OC)C=3C1=O)=C2O"	"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3"	"STQGQHZAVUOBTE-UHFFFAOYSA-N"	"?"
"3486"	"77234-90-3"			"OC(CN1C=NC=C1)C1C=CC(CCC2C=CC=CC=2)=CC=1"	"InChI=1S/C19H20N2O/c22-19(14-21-13-12-20-15-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-13,15,19,22H,6-7,14H2"	"IAWIJHCUEPVIOO-UHFFFAOYSA-N"	"Cl"
"3487"	"56744-60-6"	"2-Propenoic acid, 2-methyl-, (1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyloxy-2,1-ethanediyl) ester"	"DTXSID0069125"	"CC(C)(C1C=CC(=CC=1)OCCOCCOC(=O)C(C)=C)C1C=CC(=CC=1)OCCOCCOC(=O)C(C)=C"	"InChI=1S/C31H40O8/c1-23(2)29(32)38-21-17-34-15-19-36-27-11-7-25(8-12-27)31(5,6)26-9-13-28(14-10-26)37-20-16-35-18-22-39-30(33)24(3)4/h7-14H,1,3,15-22H2,2,4-6H3"	"NREFJJBCYMZUEK-UHFFFAOYSA-N"	"?"
"3488"	"168153-01-3"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 6-((4-(5-bromo-3-(1H-tetrazol-5-yl)-2-furanyl)phenyl)methyl)-7-propyl-"	"DTXSID00168533"	"CCCC1=C(CC2C=CC(=CC=2)C2OC(Br)=CC=2C2=NNN=N2)C(=O)N=C2N=CNN12"	"InChI=1S/C20H17BrN8O2/c1-2-3-15-13(19(30)24-20-22-10-23-29(15)20)8-11-4-6-12(7-5-11)17-14(9-16(21)31-17)18-25-27-28-26-18/h4-7,9-10H,2-3,8H2,1H3,(H,22,23,24,30)(H,25,26,27,28)"	"RBFOJUXCJSVZJC-UHFFFAOYSA-N"	"?"
"3489"	"5287-46-7"	"Prenisteine"	"DTXSID60200908"	"CC(C)=CCSCC(N)C(O)=O"	"InChI=1S/C8H15NO2S/c1-6(2)3-4-12-5-7(9)8(10)11/h3,7H,4-5,9H2,1-2H3,(H,10,11)"	"ULHWZNASVJIOEM-UHFFFAOYSA-N"	"?"
"3490"	"17696-69-4"	"21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, hydrochloride (1:2)"	"DTXSID00884983"	"CC1=C(C(C)O)C2=CC3=NC(=CC4NC(C=C5N=C(C=C1N2)C(C)=C5CCC(O)=O)=C(CCC(O)=O)C=4C)C(C(C)O)=C3C |c:10,15,t:6,19|"	"InChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,36-37,39-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)/b23-11?,24-12?,25-11-,26-13?,27-14-,28-14?,29-12-,30-13-"	"UJKPHYRXOLRVJJ-MLSVHJFASA-N"	"Cl.Cl"
"3491"	"114772-54-2"	"4'-Bromomethyl-2-cyanobiphenyl"	"DTXSID30363559"	"N#CC1=CC=CC=C1C1C=CC(CBr)=CC=1"	"InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2"	"LFFIEVAMVPCZNA-UHFFFAOYSA-N"	"?"
"3492"	"13132-25-7"	"Phenol, 4-(trimethylsilyl)-"	"DTXSID0065359"	"C[Si](C)(C)C1C=CC(O)=CC=1"	"InChI=1S/C9H14OSi/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7,10H,1-3H3"	"ZOMMEPFDNFYOHO-UHFFFAOYSA-N"	"?"
"3493"	"40564-00-9"	"2-Nonene, 1,1-diethoxy-"	"DTXSID0068238"	"CCCCCCC=CC(OCC)OCC"	"InChI=1S/C13H26O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h11-13H,4-10H2,1-3H3"	"MUWPHRMERVXBEL-UHFFFAOYSA-N"	"?"
"3494"	"26186-02-7"	"1-Tridecyne"	"DTXSID0067185"	"CCCCCCCCCCCC#C"	"InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3"	"GZEDKDBFUBPZNG-UHFFFAOYSA-N"	"?"
"3495"	"6758-66-3"	"1,5-Naphthalenedisulfonic acid, 2-[[8-[[[[3-[(2-chloroethyl)sulfonyl]phenyl]amino]carbonyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-"	"DTXSID0064468"	"OC1C(N=NC2=CC=C3C(=CC=CC3=C2S(O)(=O)=O)S(O)(=O)=O)=C(C=C2C=C(C=C(NC(=O)NC3C=CC=C(C=3)S(=O)(=O)CCCl)C=12)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C29H23ClN4O16S5/c30-9-10-51(37,38)17-4-1-3-16(13-17)31-29(36)32-22-14-18(52(39,40)41)11-15-12-24(54(45,46)47)26(27(35)25(15)22)34-33-21-8-7-19-20(28(21)55(48,49)50)5-2-6-23(19)53(42,43)44/h1-8,11-14,35H,9-10H2,(H2,31,32,36)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)"	"PATSBXJKDVSKQR-UHFFFAOYSA-N"	"?"
"3496"	"3564-27-0"	"Benzoic acid, 2-hydroxy-5-[[4-[(4-sulfophenyl)azo]phenyl]azo]-, disodium salt"	"DTXSID0063078"	"OC(=O)C1=CC(=CC=C1O)N=NC1C=CC(=CC=1)N=NC1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C19H14N4O6S/c24-18-10-7-15(11-17(18)19(25)26)23-22-13-3-1-12(2-4-13)20-21-14-5-8-16(9-6-14)30(27,28)29/h1-11,24H,(H,25,26)(H,27,28,29)"	"VVHOUPGUNISBKS-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3497"	"50262-50-5"	"Pentanoic acid, 4-formylphenyl ester"	"DTXSID0068529"	"CCCCC(=O)OC1C=CC(=CC=1)C=O"	"InChI=1S/C12H14O3/c1-2-3-4-12(14)15-11-7-5-10(9-13)6-8-11/h5-9H,2-4H2,1H3"	"YQTQMRFNTGBMQC-UHFFFAOYSA-N"	"?"
"3498"	"848-75-9"			"CN1C(O)C(=O)N=C(C2C=C(Cl)C=CC1=2)C1C=CC=CC=1Cl"	"InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,16,22H,1H3"	"PPYYUVDBPPOBDK-UHFFFAOYSA-N"	"?"
"3499"	"993-13-5"	"Methyl phosphonic acid"	"DTXSID5047748"	"CP(O)(O)=O"	"InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)"	"YACKEPLHDIMKIO-UHFFFAOYSA-N"	"?"
"3500"	"41480-04-0"	"Benzenesulfonic acid, 3-nitro-, phenyl ester"	"DTXSID0068317"	"[O-][N+](=O)C1C=C(C=CC=1)S(=O)(=O)OC1C=CC=CC=1"	"InChI=1S/C12H9NO5S/c14-13(15)10-5-4-8-12(9-10)19(16,17)18-11-6-2-1-3-7-11/h1-9H"	"ISRIIYJVEICKKW-UHFFFAOYSA-N"	"?"
"3501"	"6410-32-8"	"2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methyl-4-nitrophenyl)azo]-N-(2-methylphenyl)-"	"DTXSID0064333"	"CC1C=CC=CC=1NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=CC(=CC=2C)[N+]([O-])=O)C=1O"	"InChI=1S/C25H20N4O4/c1-15-7-3-6-10-21(15)26-25(31)20-14-17-8-4-5-9-19(17)23(24(20)30)28-27-22-12-11-18(29(32)33)13-16(22)2/h3-14,30H,1-2H3,(H,26,31)"	"KDLDNQQRGJAGIS-UHFFFAOYSA-N"	"?"
"3502"	"28797-61-7"	"Pirenzepine"	"DTXSID7023487"	"CN1CCN(CC(=O)N2C3N=CC=CC=3NC(=O)C3=CC=CC=C23)CC1"	"InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)"	"RMHMFHUVIITRHF-UHFFFAOYSA-N"	"?"
"3503"	"22260-51-1"	"Bromocriptine mesylate"	"DTXSID6020197"	"CN1CC(C=C2C1CC1=C(Br)NC3C=CC=C2C1=3)C(=O)NC1(OC2(O)C3CCCN3C(=O)C(CC(C)C)N2C1=O)C(C)C"	"InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)"	"OZVBMTJYIDMWIL-UHFFFAOYSA-N"	"CS(=O)(=O)O"
"3504"	"108287-79-2"	"Pyridazine, 3,6-dichloro-4-(2-chloro-1,1-dimethylethyl)-"	"DTXSID1073781"	"CC(C)(CCl)C1C=C(Cl)N=NC=1Cl"	"InChI=1S/C8H9Cl3N2/c1-8(2,4-9)5-3-6(10)12-13-7(5)11/h3H,4H2,1-2H3"	"RAQXMXAKHJIKEE-UHFFFAOYSA-N"	"?"
"3505"	"18156-91-7"	"Silane, 1,2-ethynediylbis[chlorodimethyl-"	"DTXSID0066327"	"C[Si](C)(Cl)C#C[Si](C)(C)Cl"	"InChI=1S/C6H12Cl2Si2/c1-9(2,7)5-6-10(3,4)8/h1-4H3"	"ONPUQFXWWSFDGE-UHFFFAOYSA-N"	"?"
"3506"	"30507-70-1"	"Prodenialure B"	"DTXSID60858786"	"CC=CCC=CCCCCCCCCOC(C)=O"	"InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3"	"ZZGJZGSVLNSDPG-UHFFFAOYSA-N"	"?"
"3507"	"6410-40-8"	"2-Naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-N-(2,5-dimethoxyphenyl)-3-hydroxy-"	"DTXSID0064337"	"COC1C=CC(=CC=1NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=C(Cl)C=CC=2Cl)C=1O)OC"	"InChI=1S/C25H19Cl2N3O4/c1-33-16-8-10-22(34-2)21(13-16)28-25(32)18-11-14-5-3-4-6-17(14)23(24(18)31)30-29-20-12-15(26)7-9-19(20)27/h3-13,31H,1-2H3,(H,28,32)"	"CVRPSWGFUCJAFC-UHFFFAOYSA-N"	"?"
"3508"	"52821-30-4"	"Acetonitrile, (dodecylsulfonyl)-"	"DTXSID0068810"	"CCCCCCCCCCCCS(=O)(=O)CC#N"	"InChI=1S/C14H27NO2S/c1-2-3-4-5-6-7-8-9-10-11-13-18(16,17)14-12-15/h2-11,13-14H2,1H3"	"BHYJQQBWODSXQS-UHFFFAOYSA-N"	"?"
"3509"	"6410-29-3"	"2-Naphthalenecarboxamide, 3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-N-phenyl-"	"DTXSID0064331"	"COC1C=CC(=CC=1N=NC1C(O)=C(C=C2C=CC=CC2=1)C(=O)NC1C=CC=CC=1)C(=O)NC1C=CC=CC=1"	"InChI=1S/C31H24N4O4/c1-39-27-17-16-21(30(37)32-22-11-4-2-5-12-22)19-26(27)34-35-28-24-15-9-8-10-20(24)18-25(29(28)36)31(38)33-23-13-6-3-7-14-23/h2-19,36H,1H3,(H,32,37)(H,33,38)"	"JBJBSAHNMRBDSH-UHFFFAOYSA-N"	"?"
"3510"	"52695-54-2"	"Benzenesulfonic acid, 3-[[4-[(2-ethoxy-5-methylphenyl)azo]-1-naphthalenyl]azo]-"	"DTXSID0068783"	"CC1C=C(N=NC2C=CC(N=NC3C=C(C=CC=3)S(O)(=O)=O)=C3C=CC=CC=23)C(=CC=1)OCC"	"InChI=1S/C25H22N4O4S/c1-3-33-25-14-11-17(2)15-24(25)29-28-23-13-12-22(20-9-4-5-10-21(20)23)27-26-18-7-6-8-19(16-18)34(30,31)32/h4-16H,3H2,1-2H3,(H,30,31,32)"	"FYUIEFVEQGWFII-UHFFFAOYSA-N"	"?"
"3511"	"32459-62-4"	"Benzene, 1-ethoxy-4-isocyanato-"	"DTXSID0067688"	"CCOC1C=CC(=CC=1)N=C=O"	"InChI=1S/C9H9NO2/c1-2-12-9-5-3-8(4-6-9)10-7-11/h3-6H,2H2,1H3"	"FMYVTFRADSNGDN-UHFFFAOYSA-N"	"?"
"3512"	"39106-10-0"	"Acetamide, 2-chloro-N-(2,4-dimethylphenyl)-"	"DTXSID0068157"	"CC1C=CC(NC(=O)CCl)=C(C)C=1"	"InChI=1S/C10H12ClNO/c1-7-3-4-9(8(2)5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)"	"MZTGUDQVUJJYCK-UHFFFAOYSA-N"	"?"
"3513"	"16263-37-9"	"Phosphinic acid, phenyl-, potassium salt"	"DTXSID0066030"	"OP(=O)C1C=CC=CC=1"	"InChI=1S/C6H7O2P/c7-9(8)6-4-2-1-3-5-6/h1-5,9H,(H,7,8)"	"MLCHBQKMVKNBOV-UHFFFAOYSA-N"	"[K+]"
"3514"	"129-67-9"	"Disodium endothal"	"DTXSID1041899"	"OC(=O)C1C(C2CCC1O2)C(O)=O"	"InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)"	"GXEKYRXVRROBEV-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3515"	"33332-28-4"	"2-Amino-6-chloropyrazine"	"DTXSID0067761"	"NC1=CN=CC(Cl)=N1"	"InChI=1S/C4H4ClN3/c5-3-1-7-2-4(6)8-3/h1-2H,(H2,6,8)"	"JTPXVCKCLBROOJ-UHFFFAOYSA-N"	"?"
"3516"	"4142-74-9"	"Phenol, 2,2'-[oxybis(2,1-ethanediylthiomethylene)]bis[4-methyl-6-nonyl-"	"DTXSID0063317"	"CC1C=C(CCCCCCCCC)C(O)=C(CSCCOCCSCC2=CC(C)=CC(CCCCCCCCC)=C2O)C=1"	"InChI=1S/C38H62O3S2/c1-5-7-9-11-13-15-17-19-33-25-31(3)27-35(37(33)39)29-42-23-21-41-22-24-43-30-36-28-32(4)26-34(38(36)40)20-18-16-14-12-10-8-6-2/h25-28,39-40H,5-24,29-30H2,1-4H3"	"ZHEOXZXROVDONK-UHFFFAOYSA-N"	"?"
"3517"	"4720-61-0"	"1-Propanesulfonic acid, 3-(2-benzothiazolylthio)-"	"DTXSID0063571"	"OS(=O)(=O)CCCSC1=NC2=CC=CC=C2S1"	"InChI=1S/C10H11NO3S3/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10/h1-2,4-5H,3,6-7H2,(H,12,13,14)"	"XBNHRNFODJOFRU-UHFFFAOYSA-N"	"?"
"3518"	"23328-62-3"	"Acetaldehyde, (methylthio)-"	"DTXSID0066876"	"CSCC=O"	"InChI=1S/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3"	"NCNSBFDGXBKAKB-UHFFFAOYSA-N"	"?"
"3519"	"13980-00-2"	"1,3,5,7-Tetrazocine, octahydro-1-acetyl-3,5,7-trinitro-"	"DTXSID50161170"	"CC(=O)N1CN(CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C6H11N7O7/c1-6(14)7-2-8(11(15)16)4-10(13(19)20)5-9(3-7)12(17)18/h2-5H2,1H3"	"CJYDNDLQIIGSTH-UHFFFAOYSA-N"	"?"
"3520"	"6136-93-2"	"Acetonitrile, diethoxy-"	"DTXSID0064121"	"CCOC(C#N)OCC"	"InChI=1S/C6H11NO2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H3"	"UDELMRIGXNCYLU-UHFFFAOYSA-N"	"?"
"3521"	"14206-62-3"	"2-Naphthalenecarboxylic acid, 3-hydroxy-, monosodium salt"	"DTXSID0065729"	"OC1=CC2C=CC=CC=2C=C1C(O)=O"	"InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)"	"ALKYHXVLJMQRLQ-UHFFFAOYSA-N"	"[Na+]"
"3522"	"112885-42-4"	"Mosapride citrate"	"DTXSID7046207"	"CCOC1C=C(N)C(Cl)=CC=1C(=O)NCC1CN(CC2=CC=C(F)C=C2)CCO1"	"InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)"	"YPELFRMCRYSPKZ-UHFFFAOYSA-N"	"C(C(O)=O)(CC(O)=O)(O)CC(=O)O"
"3523"	"36173-94-1"	"1H-Indazole, 4,5,6,7-tetrahydro-3-(2-(4-morpholinyl)ethoxy)-"	"DTXSID80189741"	"C1CN(CCOC2=NNC3CCCCC=32)CCO1"	"InChI=1S/C13H21N3O2/c1-2-4-12-11(3-1)13(15-14-12)18-10-7-16-5-8-17-9-6-16/h1-10H2,(H,14,15)"	"HKXDANMWTBGMKW-UHFFFAOYSA-N"	"?"
"3524"	"117718-60-2"	"Thiazopyr"	"DTXSID1032488"	"CC(C)CC1=C(C2=NCCS2)C(=NC(C(F)F)=C1C(=O)OC)C(F)(F)F"	"InChI=1S/C16H17F5N2O2S/c1-7(2)6-8-9(15(24)25-3)11(13(17)18)23-12(16(19,20)21)10(8)14-22-4-5-26-14/h7,13H,4-6H2,1-3H3"	"YIJZJEYQBAAWRJ-UHFFFAOYSA-N"	"?"
"3525"	"1929-88-0"	"Benzthiazuron"	"DTXSID8041662"	"CNC(=O)NC1=NC2C=CC=CC=2S1"	"InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13)"	"DTCJYIIKPVRVDD-UHFFFAOYSA-N"	"?"
"3526"	"53378-51-1"	"Phosphorodithioic acid, O,O-bis(2-methylpropyl) ester, sodium salt"	"DTXSID2068846"	"CC(C)COP(S)(=S)OCC(C)C"	"InChI=1S/C8H19O2PS2/c1-7(2)5-9-11(12,13)10-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,12,13)"	"SYFIMIPHNTZHIN-UHFFFAOYSA-N"	"[Na+]"
"3527"	"4549-33-1"	"Nonane, 1,9-dibromo-"	"DTXSID0063521"	"BrCCCCCCCCCBr"	"InChI=1S/C9H18Br2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2"	"WGAXVZXBFBHLMC-UHFFFAOYSA-N"	"?"
"3528"	"23306-60-7"	"Benzenamine, 4-(ethylsulfonyl)-2-nitro-"	"DTXSID0066872"	"CCS(=O)(=O)C1C=C(C(N)=CC=1)[N+]([O-])=O"	"InChI=1S/C8H10N2O4S/c1-2-15(13,14)6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3"	"NAELBNIEPRXPCO-UHFFFAOYSA-N"	"?"
"3529"	"52432-72-1"	"Oxeladin citrate"	"DTXSID4046608"	"CCN(CCOCCOC(=O)C(CC)(CC)C1C=CC=CC=1)CC"	"InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3"	"IQADUMSPOQKAAO-UHFFFAOYSA-N"	"C(C(O)=O)(CC(O)=O)(O)CC(=O)O"
"3530"	"5190-63-6"	"3H-Pyrazol-3-one, 4-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,4-dihydro-5-methyl-2-phenyl-"	"DTXSID0063733"	"CN1C(=CC=C2C(=O)N(N=C2C)C2C=CC=CC=2)C(C)(C)C2C=CC=CC1=2"	"InChI=1S/C23H23N3O/c1-16-18(22(27)26(24-16)17-10-6-5-7-11-17)14-15-21-23(2,3)19-12-8-9-13-20(19)25(21)4/h5-15H,1-4H3"	"VANSFRDHZRBRTF-UHFFFAOYSA-N"	"?"
"3531"	"138069-52-0"	"Ukrain"	"DTXSID2043955"	"C[N+]1(CC2C3OCOC=3C=CC=2C2C1C1C=C3OCOC3=CC=1CC2O)CCNP(=S)(NCC[N+]1(C)CC2C3OCOC=3C=CC=2C2C1C1C=C3OCOC3=CC=1CC2O)NCC[N+]1(C)CC2C3OCOC=3C=CC=2C2C1C1C=C3OCOC3=CC=1CC2O"	"InChI=1S/C66H72N6O15PS/c1-70(25-43-37(4-7-49-64(43)85-31-76-49)58-46(73)16-34-19-52-55(82-28-79-52)22-40(34)61(58)70)13-10-67-88(89,68-11-14-71(2)26-44-38(5-8-50-65(44)86-32-77-50)59-47(74)17-35-20-53-56(83-29-80-53)23-41(35)62(59)71)69-12-15-72(3)27-45-39(6-9-51-66(45)87-33-78-51)60-48(75)18-36-21-54-57(84-30-81-54)24-42(36)63(60)72/h4-9,19-24,46-48,58-63,73-75H,10-18,25-33H2,1-3H3,(H3,67,68,69,89)/q+3"	"DZWOYVBKCHRHGV-UHFFFAOYSA-N"	"[OH-].[OH-].[OH-]"
"3532"	"95465-99-9"	"Cadusafos"	"DTXSID7037505"	"CC(CC)SP(=O)(OCC)SC(C)CC"	"InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3"	"KXRPCFINVWWFHQ-UHFFFAOYSA-N"	"?"
"3533"	"38136-29-7"	"Pentanoyl chloride, 4-methyl-"	"DTXSID0068072"	"CC(C)CCC(=O)Cl"	"InChI=1S/C6H11ClO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3"	"SVWCVXFHTHCJJB-UHFFFAOYSA-N"	"?"
"3534"	"26889-86-1"	"2-Naphthalenecarboxamide, N-(2-aminoethyl)-3-hydroxy-"	"DTXSID0067266"	"NCCNC(=O)C1C=C2C=CC=CC2=CC=1O"	"InChI=1S/C13H14N2O2/c14-5-6-15-13(17)11-7-9-3-1-2-4-10(9)8-12(11)16/h1-4,7-8,16H,5-6,14H2,(H,15,17)"	"LKDKFADINSRVMX-UHFFFAOYSA-N"	"?"
"3535"	"2278-50-4"	"1H-Benz[6,7]indazolo[2,3,4-fgh]naphth[2'',3'':6',7']indolo[3',2':5,6]anthra[2,1,9-mna]acridine-2,7,10,15-tetrone"	"DTXSID9062302"	"O=C1C2C3=C(C=CC=2C2C=CC4=C5C=2C1=CC=C5C1C=CC2=C5C(=NN4C=15)C1C=CC=CC=1C2=O)NC1C2=C(C=CC3=1)C(=O)C1=CC=CC=C1C2=O"	"InChI=1S/C45H19N3O4/c49-42-24-6-2-1-5-22(24)40-37-29(42)13-10-23-21-9-12-28-33-19(16-18-32(35(21)33)48(47-40)41(23)37)20-15-17-31-34(36(20)45(28)52)27-11-14-30-38(39(27)46-31)44(51)26-8-4-3-7-25(26)43(30)50/h1-18,46H"	"VUSWQWZUVYOZAY-UHFFFAOYSA-N"	"?"
"3536"	"29463-06-7"	"Ethanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-, methyl sulfate (salt)"	"DTXSID0067476"	"C[N+](CCO)(CCO)CCO"	"InChI=1S/C7H18NO3/c1-8(2-5-9,3-6-10)4-7-11/h9-11H,2-7H2,1H3/q+1"	"FVJLCPJDDAGIJE-UHFFFAOYSA-N"	"S(=O)(OC)([O-])=O"
"3537"	"4454-05-1"	"2-Methoxy-3,4-dihydro-2H-pyran"	"DTXSID9027570"	"COC1CCC=CO1"	"InChI=1S/C6H10O2/c1-7-6-4-2-3-5-8-6/h3,5-6H,2,4H2,1H3"	"XCYWUZHUTJDTGS-UHFFFAOYSA-N"	"?"
"3538"	"555-84-0"	"1-[(5-Nitrofurfurylidene)amino]-2-imidazolidinone"	"DTXSID2020973"	"[O-][N+](=O)C1=CC=C(C=NN2CCNC2=O)O1"	"InChI=1S/C8H8N4O4/c13-8-9-3-4-11(8)10-5-6-1-2-7(16-6)12(14)15/h1-2,5H,3-4H2,(H,9,13)"	"VSVAVMVWTLLTCH-UHFFFAOYSA-N"	"?"
"3539"	"125055-54-1"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo-"	"DTXSID90154561"	"CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NC(C)(C)C"	"InChI=1S/C14H17N3O2/c1-9-6-5-7-11-15-8-10(13(19)17(9)11)12(18)16-14(2,3)4/h5-8H,1-4H3,(H,16,18)"	"TWOQZTKIJXLQEP-UHFFFAOYSA-N"	"?"
"3540"	"6295-06-3"	"Acetic acid, oxo-, butyl ester"	"DTXSID0064208"	"CCCCOC(=O)C=O"	"InChI=1S/C6H10O3/c1-2-3-4-9-6(8)5-7/h5H,2-4H2,1H3"	"NRYDRJHYTRBBEA-UHFFFAOYSA-N"	"?"
"3541"	"19045-75-1"	"1-Hexadecanol, dihydrogen phosphate, dipotassium salt"	"DTXSID0066450"	"CCCCCCCCCCCCCCCCOP(O)(O)=O"	"InChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)"	"ZUVCYFMOHFTGDM-UHFFFAOYSA-N"	"[K+].[K+]"
"3542"	"1985-84-8"	"Hexanedioic acid, 1,6-bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] ester"	"DTXSID60883710"	"CC1CC2OC2CC1COC(=O)CCCCC(=O)OCC1CC2OC2CC1C"	"InChI=1S/C22H34O6/c1-13-7-17-19(27-17)9-15(13)11-25-21(23)5-3-4-6-22(24)26-12-16-10-20-18(28-20)8-14(16)2/h13-20H,3-12H2,1-2H3"	"LMMDJMWIHPEQSJ-UHFFFAOYSA-N"	"?"
"3543"	"60763-42-0"	"3-Octanol, 3,6-dimethyl-, 3-acetate"	"DTXSID00866825"	"CC(CCC(C)(CC)OC(C)=O)CC"	"InChI=1S/C12H24O2/c1-6-10(3)8-9-12(5,7-2)14-11(4)13/h10H,6-9H2,1-5H3"	"JFKHPWLOPZASHC-UHFFFAOYSA-N"	"?"
"3544"	"5736-85-6"	"Benzaldehyde, 4-propoxy-"	"DTXSID0063991"	"CCCOC1C=CC(C=O)=CC=1"	"InChI=1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,8H,2,7H2,1H3"	"FGXZWMCBNMMYPL-UHFFFAOYSA-N"	"?"
"3545"	"14667-59-5"	"Benzoic acid, 2-chloro-5-nitro-, sodium salt"	"DTXSID0065806"	"[O-][N+](=O)C1C=C(C(O)=O)C(Cl)=CC=1"	"InChI=1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)"	"QUEKGYQTRJVEQC-UHFFFAOYSA-N"	"[Na+]"
"3546"	"7327-60-8"	"Acetonitrile, 2,2',2''-nitrilotris-"	"DTXSID3029285"	"N#CCN(CC#N)CC#N"	"InChI=1S/C6H6N4/c7-1-4-10(5-2-8)6-3-9/h4-6H2"	"LJAIDEYQVIJERM-UHFFFAOYSA-N"	"?"
"3547"	"50977-09-8"	"1-Propanamine, 3-(isooctyloxy)-"	"DTXSID0068602"	"CC(C)CCCCCOCCCN"	"InChI=1S/C11H25NO/c1-11(2)7-4-3-5-9-13-10-6-8-12/h11H,3-10,12H2,1-2H3"	"WNESQTLZVOTCIL-UHFFFAOYSA-N"	"?"
"3548"	"70942-01-7"	"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, potassium sodium salt"	"DTXSID9029807"	"OS(=O)(=O)C1C=C(C=CC=1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1N=C(N=C(NC2C=CC=CC=2)N=1)N(CCO)CCO)NC1N=C(N=C(NC2C=CC=CC=2)N=1)N(CCO)CCO"	"InChI=1S/C40H44N12O10S2/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50)"	"CNGYZEMWVAWWOB-UHFFFAOYSA-N"	"[Na+].[K+]"
"3549"	"38157-01-6"	"[3,3'-Bi-7H-benz[de]anthracene]-7,7'-dione, 9,9'-diamino-"	"DTXSID0068074"	"NC1C=C2C(=CC=1)C1=CC=C(C3=CC=CC(=C31)C2=O)C1C=CC2=C3C(=CC=CC=13)C(=O)C1C=C(N)C=CC2=1"	"InChI=1S/C34H20N2O2/c35-17-7-9-21-25-13-11-19(23-3-1-5-27(31(23)25)33(37)29(21)15-17)20-12-14-26-22-10-8-18(36)16-30(22)34(38)28-6-2-4-24(20)32(26)28/h1-16H,35-36H2"	"LWDAHFWGDVZCEZ-UHFFFAOYSA-N"	"?"
"3550"	"6008-60-2"	"Propanedinitrile, 1,3-dithietan-2-ylidene-"	"DTXSID7073359"	"N#CC(C#N)=C1SCS1"	"InChI=1S/C5H2N2S2/c6-1-4(2-7)5-8-3-9-5/h3H2"	"ZKJSHCHPIMUIFQ-UHFFFAOYSA-N"	"?"
"3551"	"29770-19-2"	"Benzothiazolium, 2-[[[4-(dimethylamino)phenyl]imino]methyl]-3-ethyl-, ethyl sulfate"	"DTXSID0067509"	"CC[N+]1C2=CC=CC=C2SC=1/C=N/C1C=CC(=CC=1)N(C)C"	"InChI=1S/C18H20N3S/c1-4-21-16-7-5-6-8-17(16)22-18(21)13-19-14-9-11-15(12-10-14)20(2)3/h5-13H,4H2,1-3H3/q+1"	"SIKNMJZVEJMUKQ-UHFFFAOYSA-N"	"S(=O)(=O)(OCC)[O-]"
"3552"	"27310-25-4"	"7-Amino-1,3,5-naphthalenetrisulfonic acid"	"DTXSID7067299"	"NC1=CC2C(=CC(=CC=2C(=C1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C10H9NO9S3/c11-5-1-7-8(9(2-5)22(15,16)17)3-6(21(12,13)14)4-10(7)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)"	"HKTWHHAJDJCUPC-UHFFFAOYSA-N"	"?"
"3553"	"17158-54-2"	"1H-Imidazole-1-ethanol, 2-(1-heptadecenyl)-4,5-dihydro-"	"DTXSID0066169"	"CCCCCCCCCCCCCCCC=CC1=NCCN1CCO"	"InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h16-17,25H,2-15,18-21H2,1H3"	"BNGLZYYFFZFNDJ-UHFFFAOYSA-N"	"?"
"3554"	"4856-95-5"	"Borane - morpholine complex"	"DTXSID0052124"	"C1COCCN1"	"InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2"	"YNAVUWVOSKDBBP-UHFFFAOYSA-N"	"B"
"3555"	"6909-55-3"	"Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester"	"DTXSID90219129"	"COC(=O)C1C=CC(=CC=1)N1CCC(=N1)C1C=CC(Cl)=CC=1"	"InChI=1S/C17H15ClN2O2/c1-22-17(21)13-4-8-15(9-5-13)20-11-10-16(19-20)12-2-6-14(18)7-3-12/h2-9H,10-11H2,1H3"	"BZHFCYQAVWSERR-UHFFFAOYSA-N"	"?"
"3556"	"60044-33-9"	"2-Chloro-4-nonylphenol"	"DTXSID0069381"	"CCCCCCCCCC1C=CC(O)=C(Cl)C=1"	"InChI=1S/C15H23ClO/c1-2-3-4-5-6-7-8-9-13-10-11-15(17)14(16)12-13/h10-12,17H,2-9H2,1H3"	"HJBUWTLHZIRBIM-UHFFFAOYSA-N"	"?"
"3557"	"47834-75-3"	"Benzoic acid, 2-hydroxy-5-[[4-[[[[2-methoxy-4-[(3-sulfophenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]-"	"DTXSID0068492"	"COC1C=C(C=CC=1NC(=O)NC1C=CC(=CC=1)N=NC1=CC(=C(O)C=C1)C(O)=O)N=NC1=CC(=CC=C1)S(O)(=O)=O"	"InChI=1S/C27H22N6O8S/c1-41-25-15-20(33-31-18-3-2-4-21(13-18)42(38,39)40)9-11-23(25)29-27(37)28-16-5-7-17(8-6-16)30-32-19-10-12-24(34)22(14-19)26(35)36/h2-15,34H,1H3,(H,35,36)(H2,28,29,37)(H,38,39,40)"	"QLPXEVTZQMICLN-UHFFFAOYSA-N"	"?"
"3558"	"5332-26-3"	"1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-"	"DTXSID0063789"	"O=C1C2=CC=CC=C2C(=O)N1CBr"	"InChI=1S/C9H6BrNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2"	"UUSLLECLCKTJQF-UHFFFAOYSA-N"	"?"
"3559"	"38985-64-7"	"o-Fluorophenyl isothiocyanate"	"DTXSID0068153"	"FC1C=CC=CC=1N=C=S"	"InChI=1S/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H"	"OAGDRIUTLPDSMJ-UHFFFAOYSA-N"	"?"
"3560"	"4722-98-9"	"Sulfuric acid, monododecyl ester, compd. with 2-aminoethanol (1:1)"	"DTXSID0063573"	"CCCCCCCCCCCCOS(O)(=O)=O"	"InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)"	"MOTZDAYCYVMXPC-UHFFFAOYSA-N"	"NCCO"
"3561"	"4121-16-8"	"Decanedioic acid, dinonyl ester"	"DTXSID0063313"	"CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCC"	"InChI=1S/C28H54O4/c1-3-5-7-9-13-17-21-25-31-27(29)23-19-15-11-12-16-20-24-28(30)32-26-22-18-14-10-8-6-4-2/h3-26H2,1-2H3"	"VNTXONBESJNLBI-UHFFFAOYSA-N"	"?"
"3562"	"68133-72-2"	"Acetaldehyde, [(3Z)-3-hexen-1-yloxy]-"	"DTXSID40887175"	"CCC=CCCOCC=O"	"InChI=1S/C8H14O2/c1-2-3-4-5-7-10-8-6-9/h3-4,6H,2,5,7-8H2,1H3"	"WNAJHTHKGZCCGS-UHFFFAOYSA-N"	"?"
"3563"	"47743-70-4"	"1,4-Benzenediamine, N,N-bis[4-(diethylamino)phenyl]-N',N'-diethyl-"	"DTXSID0068490"	"CCN(CC)C1C=CC(=CC=1)N(C1C=CC(=CC=1)N(CC)CC)C1C=CC(=CC=1)N(CC)CC"	"InChI=1S/C30H42N4/c1-7-31(8-2)25-13-19-28(20-14-25)34(29-21-15-26(16-22-29)32(9-3)10-4)30-23-17-27(18-24-30)33(11-5)12-6/h13-24H,7-12H2,1-6H3"	"HWNGZPYALGWORF-UHFFFAOYSA-N"	"?"
"3564"	"7152-03-6"	"Methanone, cyclopropyl(4-methoxyphenyl)-"	"DTXSID7064576"	"COC1C=CC(=CC=1)C(=O)C1CC1"	"InChI=1S/C11H12O2/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8H,2-3H2,1H3"	"YKZSVEVTRUSPOQ-UHFFFAOYSA-N"	"?"
"3565"	"5836-73-7"	"Promurit"	"DTXSID6058136"	"[H]/N=C(\S)/N/N=N/C1C=CC(Cl)=C(Cl)C=1"	"InChI=1S/C7H6Cl2N4S/c8-5-2-1-4(3-6(5)9)11-13-12-7(10)14/h1-3H,(H3,10,11,12,14)"	"BOQUJWASRWDQOS-UHFFFAOYSA-N"	"?"
"3566"	"2901-66-8"			"COC1=CC2NC3C4CC5C(C(OC)C(O)CC5CN4CCC=3C=2C=C1)C(=O)OC"	"InChI=1S/C23H30N2O5/c1-28-13-4-5-14-15-6-7-25-11-12-8-19(26)22(29-2)20(23(27)30-3)16(12)10-18(25)21(15)24-17(14)9-13/h4-5,9,12,16,18-20,22,24,26H,6-8,10-11H2,1-3H3"	"MDJQWFFIUHUJSB-UHFFFAOYSA-N"	"?"
"3567"	"57236-36-9"			"CC12CCCCCC(CC3=CC=C(O)C=C13)C2N"	"InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3"	"VTMVHDZWSFQSQP-UHFFFAOYSA-N"	"Br"
"3568"	"41219-25-4"			"COP(=S)(OC)SC1CCSC2=CC=CC=C21"	"InChI=1S/C11H15O2PS3/c1-12-14(15,13-2)17-11-7-8-16-10-6-4-3-5-9(10)11/h3-6,11H,7-8H2,1-2H3"	"MZRQXRJEBTWYFB-UHFFFAOYSA-N"	"?"
"3569"	"38456-45-0"	"2(3H)-Benzothiazolethione, compd. with N-ethylethanamine (1:1)"	"DTXSID0068105"	"S=C1NC2=CC=CC=C2S1"	"InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)"	"YXIWHUQXZSMYRE-UHFFFAOYSA-N"	"N(CC)CC"
"3570"	"23552-76-3"	"9,10-Anthracenedione, 1-hydroxy-4-[(4-methoxyphenyl)amino]-"	"DTXSID0066907"	"COC1C=CC(=CC=1)NC1C=CC(O)=C2C=1C(=O)C1C=CC=CC=1C2=O"	"InChI=1S/C21H15NO4/c1-26-13-8-6-12(7-9-13)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3"	"RUUQNDPKAFJWBM-UHFFFAOYSA-N"	"?"
"3571"	"7205-90-5"	"Chloromethyl 4-chlorophenyl sulfide"	"DTXSID0064593"	"ClC1C=CC(=CC=1)SCCl"	"InChI=1S/C7H6Cl2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H2"	"XPJUCMIJGVAEGF-UHFFFAOYSA-N"	"?"
"3572"	"5538-57-8"	"2-Naphthalenecarboxamide, 3-hydroxy-7-methoxy-N-(2-methylphenyl)-"	"DTXSID0063947"	"CC1C=CC=CC=1NC(=O)C1C=C2C=C(C=CC2=CC=1O)OC"	"InChI=1S/C19H17NO3/c1-12-5-3-4-6-17(12)20-19(22)16-10-14-9-15(23-2)8-7-13(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)"	"ISYIACJPZHHKAB-UHFFFAOYSA-N"	"?"
"3573"	"7452-52-0"	"Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[2-chloro-4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl-"	"DTXSID0064709"	"CC1C=C(C=C(C=1O)C(O)=O)C(C1C=CC(=CC=1Cl)N(CC)CC)=C1C=C(C(=O)C(C)=C1)C(O)=O"	"InChI=1S/C27H26ClNO6/c1-5-29(6-2)18-7-8-19(22(28)13-18)23(16-9-14(3)24(30)20(11-16)26(32)33)17-10-15(4)25(31)21(12-17)27(34)35/h7-13,30H,5-6H2,1-4H3,(H,32,33)(H,34,35)"	"NLLQYOGZDSLZQG-UHFFFAOYSA-N"	"?"
"3574"	"26861-87-0"	"1,3,4-Thiadiazol-2-amine, monohydrochloride"	"DTXSID0067262"	"NC1=NN=CS1"	"InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)"	"QUKGLNCXGVWCJX-UHFFFAOYSA-N"	"Cl"
"3575"	"32741-83-6"	"Bis[2-[(azidocarbonyl)oxy]ethyl] isophthalate"	"DTXSID0067715"	"[N-]=[N+]=NC(=O)OCCOC(=O)C1C=C(C=CC=1)C(=O)OCCOC(=O)N=[N+]=[N-]"	"InChI=1S/C14H12N6O8/c15-19-17-13(23)27-6-4-25-11(21)9-2-1-3-10(8-9)12(22)26-5-7-28-14(24)18-20-16/h1-3,8H,4-7H2"	"IXCZLTALPWNWDM-UHFFFAOYSA-N"	"?"
"3576"	"69-74-9"	"Cytarabine hydrochloride"	"DTXSID5024891"	"NC1C=CN(C2OC(CO)C(O)C2O)C(=O)N=1"	"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)"	"UHDGCWIWMRVCDJ-UHFFFAOYSA-N"	"Cl"
"3577"	"135159-51-2"	"Sarpogrelate hydrochloride"	"DTXSID8046662"	"COC1C=C(CCC2C=CC=CC=2OCC(CN(C)C)OC(=O)CCC(O)=O)C=CC=1"	"InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)"	"FFYNAVGJSYHHFO-UHFFFAOYSA-N"	"Cl"
"3578"	"40529-66-6"	"1,1'-Biphenyl, ethyl-"	"DTXSID0068234"	"CCC1C=CC=CC=1C1C=CC=CC=1"	"InChI=1S/C14H14/c1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13/h3-11H,2H2,1H3"	"DLMYHUARHITGIJ-UHFFFAOYSA-N"	"?"
"3579"	"98079-51-7"	"Lomefloxacin"	"DTXSID4040680"	"CCN1C=C(C(=O)C2C=C(F)C(=C(F)C1=2)N1CCNC(C)C1)C(O)=O"	"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)"	"ZEKZLJVOYLTDKK-UHFFFAOYSA-N"	"?"
"3580"	"7299-98-1"	"Butanoic acid, 2,2-bis[(1-oxobutoxy)methyl]-1,3-propanediyl ester"	"DTXSID0064620"	"CCCC(=O)OCC(COC(=O)CCC)(COC(=O)CCC)COC(=O)CCC"	"InChI=1S/C21H36O8/c1-5-9-17(22)26-13-21(14-27-18(23)10-6-2,15-28-19(24)11-7-3)16-29-20(25)12-8-4/h5-16H2,1-4H3"	"JMIAMWJLFMGGPK-UHFFFAOYSA-N"	"?"
"3581"	"34454-97-2"	"1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-N-methyl-"	"DTXSID0067848"	"CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C7H8F9NO3S/c1-17(2-3-18)21(19,20)7(15,16)5(10,11)4(8,9)6(12,13)14/h18H,2-3H2,1H3"	"DSRUAYIFDCHEEV-UHFFFAOYSA-N"	"?"
"3582"	"3437-84-1"	"Peroxide, bis(2-methyl-1-oxopropyl)"	"DTXSID0063024"	"CC(C)C(=O)OOC(=O)C(C)C"	"InChI=1S/C8H14O4/c1-5(2)7(9)11-12-8(10)6(3)4/h5-6H,1-4H3"	"RPBWMJBZQXCSFW-UHFFFAOYSA-N"	"?"
"3583"	"30431-54-0"	"Ethanedioic acid, bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester"	"DTXSID0067559"	"CCCCCOC(=O)C1C(OC(=O)C(=O)OC2C(=C(Cl)C(Cl)=CC=2Cl)C(=O)OCCCCC)=C(Cl)C=C(Cl)C=1Cl"	"InChI=1S/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-19(31)13(27)11-15(29)21(17)39-25(35)26(36)40-22-16(30)12-14(28)20(32)18(22)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3"	"TZZLVFUOAYMTHA-UHFFFAOYSA-N"	"?"
"3584"	"91893-59-3"	"1-Pentanesulfonamide, 5-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N,N-dimethyl-"	"DTXSID00238740"	"CN(C)S(=O)(=O)CCCCCNC(=O)N(CCCl)N=O"	"InChI=1S/C10H21ClN4O4S/c1-14(2)20(18,19)9-5-3-4-7-12-10(16)15(13-17)8-6-11/h3-9H2,1-2H3,(H,12,16)"	"DXVCAMZHQNJBSQ-UHFFFAOYSA-N"	"?"
"3585"	"122277-23-0"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, phenyl ester"	"DTXSID00153560"	"NC(=O)OC1C=CC(Br)=CC=1C(=O)OC1=CC=CC=C1"	"InChI=1S/C14H10BrNO4/c15-9-6-7-12(20-14(16)18)11(8-9)13(17)19-10-4-2-1-3-5-10/h1-8H,(H2,16,18)"	"QMOXBJDDWVEGSW-UHFFFAOYSA-N"	"?"
"3586"	"29733-18-4"	"Diisodecyl glutarate"	"DTXSID0067503"	"CC(C)CCCCCCCOC(=O)CCCC(=O)OCCCCCCCC(C)C"	"InChI=1S/C25H48O4/c1-22(2)16-11-7-5-9-13-20-28-24(26)18-15-19-25(27)29-21-14-10-6-8-12-17-23(3)4/h22-23H,5-21H2,1-4H3"	"NKTBVFBHWIMHRL-UHFFFAOYSA-N"	"?"
"3587"	"16728-51-1"	"3-(Decyloxy)propionitrile"	"DTXSID0066113"	"CCCCCCCCCCOCCC#N"	"InChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h2-10,12-13H2,1H3"	"VBBZORLTUCTLEO-UHFFFAOYSA-N"	"?"
"3588"	"3943-82-6"	"Setocyanine"	"DTXSID0063238"	"CC1C=C(C=CC=1NCC)C(C1C=CC=CC=1Cl)=C1C=C(C)C(C=C1)=NCC |c:19,27|"	"InChI=1S/C25H27ClN2/c1-5-27-23-13-11-19(15-17(23)3)25(21-9-7-8-10-22(21)26)20-12-14-24(28-6-2)18(4)16-20/h7-16,27H,5-6H2,1-4H3/b25-20+,28-24-"	"TVKGDNHBYVWSOH-LNOIIBRLSA-N"	"Cl"
"3589"	"13103-52-1"	"Lauryl stearyl 3,3'-thiodipropionate"	"DTXSID0065353"	"CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC"	"InChI=1S/C36H70O4S/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-32-40-36(38)30-34-41-33-29-35(37)39-31-27-25-23-21-14-12-10-8-6-4-2/h3-34H2,1-2H3"	"RRZCFXQTVDJDGF-UHFFFAOYSA-N"	"?"
"3590"	"2051-79-8"	"N4,N4-Diethyl-2-methylbenzene-1,4-diamine hydrochloride"	"DTXSID1038799"	"CC1=CC(=CC=C1N)N(CC)CC"	"InChI=1S/C11H18N2/c1-4-13(5-2)10-6-7-11(12)9(3)8-10/h6-8H,4-5,12H2,1-3H3"	"XBTWVJKPQPQTDW-UHFFFAOYSA-N"	"Cl"
"3591"	"5089-70-3"	"(3-Chloropropyl)(triethoxy)silane"	"DTXSID5029267"	"CCO[Si](CCCCl)(OCC)OCC"	"InChI=1S/C9H21ClO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-9H2,1-3H3"	"KSCAZPYHLGGNPZ-UHFFFAOYSA-N"	"?"
"3592"	"27050-41-5"			"CCCCN1CCCC1=NC1=CC(Cl)=C(Cl)C=C1"	"InChI=1S/C14H18Cl2N2/c1-2-3-8-18-9-4-5-14(18)17-11-6-7-12(15)13(16)10-11/h6-7,10H,2-5,8-9H2,1H3"	"MKSYSNRVVYYBIZ-UHFFFAOYSA-N"	"?"
"3593"	"26505-12-4"	"Ethanol, 2-[(4-hydrazinophenyl)sulfonyl]-"	"DTXSID0067214"	"NNC1C=CC(=CC=1)S(=O)(=O)CCO"	"InChI=1S/C8H12N2O3S/c9-10-7-1-3-8(4-2-7)14(12,13)6-5-11/h1-4,10-11H,5-6,9H2"	"IQIBZZZBPKFTAE-UHFFFAOYSA-N"	"?"
"3594"	"475-83-2"			"COC1C2=C3C(CC4=CC=CC=C42)N(C)CCC3=CC=1OC"	"InChI=1S/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3"	"ORJVQPIHKOARKV-UHFFFAOYSA-N"	"?"
"3595"	"55044-52-5"	"Benzoic acid, 4-methyl-, [4-(methoxycarbonyl)phenyl]methyl ester"	"DTXSID0068997"	"CC1C=CC(=CC=1)C(=O)OCC1C=CC(=CC=1)C(=O)OC"	"InChI=1S/C17H16O4/c1-12-3-7-15(8-4-12)17(19)21-11-13-5-9-14(10-6-13)16(18)20-2/h3-10H,11H2,1-2H3"	"KUNUTDVIDIBBOU-UHFFFAOYSA-N"	"?"
"3596"	"22414-68-2"	"Undecanal, 2-methylene-"	"DTXSID0066795"	"CCCCCCCCCC(=C)C=O"	"InChI=1S/C12H22O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11H,2-10H2,1H3"	"PVDIIWUJHVIZTK-UHFFFAOYSA-N"	"?"
"3597"	"18433-97-1"	"Pyrazine, 2,5-dimethyl-3-propyl-"	"DTXSID0066375"	"CCCC1=NC(C)=CN=C1C"	"InChI=1S/C9H14N2/c1-4-5-9-8(3)10-6-7(2)11-9/h6H,4-5H2,1-3H3"	"ARRSOXMGLBJPNV-UHFFFAOYSA-N"	"?"
"3598"	"10032-13-0"	"Butanoic acid, 3-methyl-, hexyl ester"	"DTXSID4064921"	"CCCCCCOC(=O)CC(C)C"	"InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3"	"RSDDTPVXLMVLQE-UHFFFAOYSA-N"	"?"
"3599"	"35200-02-3"	"Carbonodithioic acid, S-methyl O-(1-methylethyl) ester"	"DTXSID0067896"	"CSC(=S)OC(C)C"	"InChI=1S/C5H10OS2/c1-4(2)6-5(7)8-3/h4H,1-3H3"	"GNGKJKOKYSKNNW-UHFFFAOYSA-N"	"?"
"3600"	"21626-89-1"	"Diftalone"	"DTXSID3020469"	"O=C1C2C=CC=CC=2CN2C(=O)C3C=CC=CC=3CN21"	"InChI=1S/C16H12N2O2/c19-15-13-7-3-1-5-11(13)9-17-16(20)14-8-4-2-6-12(14)10-18(15)17/h1-8H,9-10H2"	"CXSJGNHRBWJXEA-UHFFFAOYSA-N"	"?"
"3601"	"5329-29-3"	"Carbonohydrazonic dihydrazide, monohydrochloride"	"DTXSID0063781"	"NNC(NN)N=N"	"InChI=1S/CH8N6/c2-5-1(6-3)7-4/h1-2,6-7H,3-4H2"	"JMRDUZFYGUUHHJ-UHFFFAOYSA-N"	"Cl"
"3602"	"25727-93-9"	"Morpholine, 4-tetradecyl-"	"DTXSID0067131"	"CCCCCCCCCCCCCCN1CCOCC1"	"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20-18-16-19/h2-18H2,1H3"	"JMJDXDJTXDRLAL-UHFFFAOYSA-N"	"?"
"3603"	"53518-15-3"	"2H-1-Benzopyran-2-one, 7-amino-4-(trifluoromethyl)-"	"DTXSID0068862"	"NC1C=C2OC(=O)C=C(C2=CC=1)C(F)(F)F"	"InChI=1S/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2"	"JBNOVHJXQSHGRL-UHFFFAOYSA-N"	"?"
"3604"	"21709-39-7"			"CC1N=C(N)SC=1C(=O)NCC1C=CC=CC=1"	"InChI=1S/C12H13N3OS/c1-8-10(17-12(13)15-8)11(16)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,13,15)(H,14,16)"	"CZIFOKIOABZOAY-UHFFFAOYSA-N"	"?"
"3605"	"19788-37-5"	"Isoxazole, 4-(chloromethyl)-3,5-dimethyl-"	"DTXSID0066531"	"CC1ON=C(C)C=1CCl"	"InChI=1S/C6H8ClNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3"	"NIFAUKBQIAURIM-UHFFFAOYSA-N"	"?"
"3606"	"669-90-9"	"D-arabino-2-Hexulosonic acid"	"DTXSID9027287"	"OC(=O)C(=O)C(O)C(O)C(O)CO"	"InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)"	"VBUYCZFBVCCYFD-UHFFFAOYSA-N"	"?"
"3607"	"836-30-6"	"4-Nitro-N-phenylaniline"	"DTXSID8027323"	"[O-][N+](=O)C1C=CC(=CC=1)NC1C=CC=CC=1"	"InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H"	"XXYMSQQCBUKFHE-UHFFFAOYSA-N"	"?"
"3608"	"10138-02-0"	"Dodecanamide, N-(2-aminoethyl)-"	"DTXSID0064965"	"CCCCCCCCCCCC(=O)NCCN"	"InChI=1S/C14H30N2O/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-13-12-15/h2-13,15H2,1H3,(H,16,17)"	"DESVYRJXTAYBFA-UHFFFAOYSA-N"	"?"
"3609"	"6492-53-1"	"Benzoic acid, 3,3'-[1,4-phenylenebis(azo)]bis[6-hydroxy-5-sulfo-, tetrasodium salt"	"DTXSID0064389"	"OS(=O)(=O)C1=CC(=CC(=C1O)C(O)=O)N=NC1C=CC(=CC=1)N=NC1=CC(=C(O)C(=C1)C(O)=O)S(O)(=O)=O"	"InChI=1S/C20H14N4O12S2/c25-17-13(19(27)28)5-11(7-15(17)37(31,32)33)23-21-9-1-2-10(4-3-9)22-24-12-6-14(20(29)30)18(26)16(8-12)38(34,35)36/h1-8,25-26H,(H,27,28)(H,29,30)(H,31,32,33)(H,34,35,36)"	"SSJMWVOBCOTGBF-UHFFFAOYSA-N"	"[Na+].[Na+].[Na+]"
"3610"	"5888-87-9"	"1H-Azepine-1-carboxamide, N,N'-1,6-hexanediylbis[hexahydro-2-oxo-"	"DTXSID9064051"	"O=C1CCCCCN1C(=O)NCCCCCCNC(=O)N1CCCCCC1=O"	"InChI=1S/C20H34N4O4/c25-17-11-5-3-9-15-23(17)19(27)21-13-7-1-2-8-14-22-20(28)24-16-10-4-6-12-18(24)26/h1-16H2,(H,21,27)(H,22,28)"	"YOVRNJUIHVNXCB-UHFFFAOYSA-N"	"?"
"3611"	"111696-23-2"	"Cefetamet pivoxil HCl"	"DTXSID1048590"	"CC1CSC2C(NC(=O)C(=NOC)C3=CSC(N)=N3)C(=O)N2C=1C(=O)OCOC(=O)C(C)(C)C"	"InChI=1S/C20H25N5O7S2/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26)"	"DASYMCLQENWCJG-UHFFFAOYSA-N"	"Cl"
"3612"	"55699-10-0"			"CC(C)(C)C1=CC(C)=C(CC#N)C(C)=C1O"	"InChI=1S/C14H19NO/c1-9-8-12(14(3,4)5)13(16)10(2)11(9)6-7-15/h8,16H,6H2,1-5H3"	"OUKJZHRCKQJXSU-UHFFFAOYSA-N"	"?"
"3613"	"34415-31-1"	"Pyridine, 2,3,5-trichloro-4,6-difluoro-"	"DTXSID0067844"	"FC1C(Cl)=C(Cl)N=C(F)C=1Cl"	"InChI=1S/C5Cl3F2N/c6-1-3(9)2(7)5(10)11-4(1)8"	"WXUKVOVSTRWNSA-UHFFFAOYSA-N"	"?"
"3614"	"93-46-9"	"N,N'-Di-2-naphthyl-p-phenylenediamine"	"DTXSID3020918"	"C1=C2C=CC=CC2=CC=C1NC1C=CC(=CC=1)NC1=CC2=CC=CC=C2C=C1"	"InChI=1S/C26H20N2/c1-3-7-21-17-25(11-9-19(21)5-1)27-23-13-15-24(16-14-23)28-26-12-10-20-6-2-4-8-22(20)18-26/h1-18,27-28H"	"VETPHHXZEJAYOB-UHFFFAOYSA-N"	"?"
"3615"	"22432-79-7"	"Stearyl arachidate"	"DTXSID0066797"	"CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC"	"InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3"	"XPRSWAIUFMEQLF-UHFFFAOYSA-N"	"?"
"3616"	"56363-84-9"	"Benzoic acid, 2-chloro-4-hydroxy-"	"DTXSID0069098"	"OC1C=CC(=C(Cl)C=1)C(O)=O"	"InChI=1S/C7H5ClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)"	"WIPYZRZPNMUSER-UHFFFAOYSA-N"	"?"
"3617"	"13643-42-0"	"2-Butenamide, N-[2-(2-oxo-1-imidazolidinyl)ethyl]-"	"DTXSID0065569"	"CC=CC(=O)NCCN1CCNC1=O"	"InChI=1S/C9H15N3O2/c1-2-3-8(13)10-4-6-12-7-5-11-9(12)14/h2-3H,4-7H2,1H3,(H,10,13)(H,11,14)"	"VCBCPCANDXGMPG-UHFFFAOYSA-N"	"?"
"3618"	"5423-07-4"	"2,7-Naphthalenedisulfonic acid, 3-[(2,4-dinitrophenyl)azo]-4-hydroxy-, disodium salt"	"DTXSID0063866"	"[O-][N+](=O)C1=CC(=CC=C1N=NC1C(=CC2=CC(=CC=C2C=1O)S(O)(=O)=O)S(O)(=O)=O)[N+]([O-])=O"	"InChI=1S/C16H10N4O11S2/c21-16-11-3-2-10(32(26,27)28)5-8(11)6-14(33(29,30)31)15(16)18-17-12-4-1-9(19(22)23)7-13(12)20(24)25/h1-7,21H,(H,26,27,28)(H,29,30,31)"	"AYCFJUKXFTYTGH-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3619"	"24088-97-9"	"1-Octyne, 8-chloro-"	"DTXSID0066955"	"C#CCCCCCCCl"	"InChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h1H,3-8H2"	"HQHUHJPIECZMCX-UHFFFAOYSA-N"	"?"
"3620"	"50687-74-6"	"Benzoic acid, 2-chloro-4-hydroxy-, 4-octylphenyl ester"	"DTXSID0068577"	"CCCCCCCCC1C=CC(=CC=1)OC(=O)C1=CC=C(O)C=C1Cl"	"InChI=1S/C21H25ClO3/c1-2-3-4-5-6-7-8-16-9-12-18(13-10-16)25-21(24)19-14-11-17(23)15-20(19)22/h9-15,23H,2-8H2,1H3"	"NDURWBNONNSWNY-UHFFFAOYSA-N"	"?"
"3621"	"23793-35-3"			"CC1=NC=C(CS(C)=O)C(CO)=C1O"	"InChI=1S/C9H13NO3S/c1-6-9(12)8(4-11)7(3-10-6)5-14(2)13/h3,11-12H,4-5H2,1-2H3"	"QAUCAMWJGUVXOE-UHFFFAOYSA-N"	"Cl"
"3622"	"21951-34-8"	"3H-Pyrazol-3-one, 2,4-dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl-"	"DTXSID0066743"	"CC1CC(=O)N(N=1)C1C=CC(=CC=1)S(=O)(=O)CCO"	"InChI=1S/C12H14N2O4S/c1-9-8-12(16)14(13-9)10-2-4-11(5-3-10)19(17,18)7-6-15/h2-5,15H,6-8H2,1H3"	"HYQYPARBQHUKAB-UHFFFAOYSA-N"	"?"
"3623"	"55232-82-1"	"Benzenecarboximidamide, N-(5-chloro-2-methoxyphenyl)-N'-cyclohexyl-3-methyl-, monohydrochloride"	"DTXSID30203749"	"CC1C=C(C=CC=1)/C(/NC1C=C(Cl)C=CC=1OC)=N\C1CCCCC1"	"InChI=1S/C21H25ClN2O/c1-15-7-6-8-16(13-15)21(23-18-9-4-3-5-10-18)24-19-14-17(22)11-12-20(19)25-2/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,23,24)"	"MZVOVHVHVYCRNT-UHFFFAOYSA-N"	"Cl"
"3624"	"4871-72-1"			"CC1=CC=NC(=N1)SCCC(F)=C(F)F"	"InChI=1S/C9H9F3N2S/c1-6-2-4-13-9(14-6)15-5-3-7(10)8(11)12/h2,4H,3,5H2,1H3"	"NKPJVIJBXNJMEM-UHFFFAOYSA-N"	"?"
"3625"	"41458-65-5"	"Phenol, 2-amino-4,6-dimethyl-"	"DTXSID0068315"	"CC1C=C(C)C(O)=C(N)C=1"	"InChI=1S/C8H11NO/c1-5-3-6(2)8(10)7(9)4-5/h3-4,10H,9H2,1-2H3"	"GISWNAMJAQRJPC-UHFFFAOYSA-N"	"?"
"3626"	"35447-68-8"	"Butanoyl bromide, 3-methyl-"	"DTXSID0067921"	"CC(C)CC(=O)Br"	"InChI=1S/C5H9BrO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3"	"LBXKQIWKQYEXRO-UHFFFAOYSA-N"	"?"
"3627"	"41122-71-8"	"[1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl-"	"DTXSID0068280"	"CCCCCCCC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"InChI=1S/C20H23N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h8-15H,2-7H2,1H3"	"ZGOWXOZNUNZPAV-UHFFFAOYSA-N"	"?"
"3628"	"7440-78-0"	"1,3-Propanediol, 2,2-bis[(phosphonooxy)methyl]-, bis(dihydrogen phosphate)"	"DTXSID0064701"	"OP(O)(=O)OCC(COP(O)(O)=O)(COP(O)(O)=O)COP(O)(O)=O"	"InChI=1S/C5H16O16P4/c6-22(7,8)18-1-5(2-19-23(9,10)11,3-20-24(12,13)14)4-21-25(15,16)17/h1-4H2,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)"	"NXWHTQVVOSZLDP-UHFFFAOYSA-N"	"?"
"3629"	"3577-01-3"	"Cephaloglycin"	"DTXSID4022781"	"CC(=O)OCC1CSC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C=1C(O)=O"	"InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)"	"FUBBGQLTSCSAON-UHFFFAOYSA-N"	"?"
"3630"	"17146-09-7"	"Silane, chlorodimethyl(3-phenylpropyl)-"	"DTXSID0066167"	"C[Si](C)(Cl)CCCC1C=CC=CC=1"	"InChI=1S/C11H17ClSi/c1-13(2,12)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3"	"ASSMBLOISZSMMP-UHFFFAOYSA-N"	"?"
"3631"	"37275-47-1"	"2-Propenoic acid, 2-ethyl-2-(hydroxymethyl)-1,3-propanediyl ester"	"DTXSID0068024"	"CCC(CO)(COC(=O)C=C)COC(=O)C=C"	"InChI=1S/C12H18O5/c1-4-10(14)16-8-12(6-3,7-13)9-17-11(15)5-2/h4-5,13H,1-2,6-9H2,3H3"	"TUOBEAZXHLTYLF-UHFFFAOYSA-N"	"?"
"3632"	"5875-45-6"	"Phenol, 2,5-bis(1,1-dimethylethyl)-"	"DTXSID0064046"	"CC(C)(C)C1C=CC(=CC=1O)C(C)(C)C"	"InChI=1S/C14H22O/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9,15H,1-6H3"	"KDBZVULQVCUNNA-UHFFFAOYSA-N"	"?"
"3633"	"915095-86-2"			"O=C(C1C=C(I)C=CC=1Cl)C1C=CC(F)=CC=1"	"InChI=1S/C13H7ClFIO/c14-12-6-5-10(16)7-11(12)13(17)8-1-3-9(15)4-2-8/h1-7H"	"KNYGUQLVFSPVRI-UHFFFAOYSA-N"	"?"
"3634"	"7217-59-6"	"Benzenethiol, 2-methoxy-"	"DTXSID0064595"	"COC1C=CC=CC=1S"	"InChI=1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3"	"DSCJETUEDFKYGN-UHFFFAOYSA-N"	"?"
"3635"	"64221-86-9"	"Imipenem"	"DTXSID2023143"	"[H]/N=C/NCCSC1CC2C(C(C)O)C(=O)N2C=1C(O)=O"	"InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)"	"ZSKVGTPCRGIANV-UHFFFAOYSA-N"	"?"
"3636"	"18740-59-5"	"Silane, chlorotris(phenylmethyl)-"	"DTXSID0066404"	"Cl[Si](CC1C=CC=CC=1)(CC1C=CC=CC=1)CC1C=CC=CC=1"	"InChI=1S/C21H21ClSi/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2"	"UTXPCJHKADAFBB-UHFFFAOYSA-N"	"?"
"3637"	"22413-02-1"	"Eicosyl stearate"	"DTXSID0066793"	"CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC"	"InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3"	"SOCXDNMHDNVKIL-UHFFFAOYSA-N"	"?"
"3638"	"52709-83-8"	"[1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-"	"DTXSID0068785"	"CCCCC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"InChI=1S/C17H17N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h5-12H,2-4H2,1H3"	"PJPLBHHDTUICNN-UHFFFAOYSA-N"	"?"
"3639"	"35503-54-9"	"1,3,5-Triazin-2(1H)-one, (hydroxyethyl)bis(hydroxymethyl)-"	"DTXSID0067927"	"OCCC1=NC(CO)=NC(=O)N1CO"	"InChI=1S/C7H11N3O4/c11-2-1-6-8-5(3-12)9-7(14)10(6)4-13/h11-13H,1-4H2"	"MEOFBWPFVVBHJF-UHFFFAOYSA-N"	"?"
"3640"	"96567-85-0"	"2H-1-Benzopyran-2-one, 7-hydroxy-6-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-4-methyl-8-(2-propenyl)-, dihydrochloride"	"DTXSID30242330"	"CC1=CC(=O)OC2C(CC=C)=C(O)C(CN3CCN(CCO)CC3)=CC=21"	"InChI=1S/C20H26N2O4/c1-3-4-16-19(25)15(12-17-14(2)11-18(24)26-20(16)17)13-22-7-5-21(6-8-22)9-10-23/h3,11-12,23,25H,1,4-10,13H2,2H3"	"QUVJFZNJVFBGKX-UHFFFAOYSA-N"	"Cl.Cl"
"3641"	"2303-17-5"	"Tri-allate"	"DTXSID5024344"	"CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl"	"InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3"	"MWBPRDONLNQCFV-UHFFFAOYSA-N"	"?"
"3642"	"53518-18-6"	"1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, 2,3,6,7-tetrahydro-9-(trifluoromethyl)-"	"DTXSID0068864"	"O=C1C=C(C2=CC3CCCN4CCCC(C4=3)=C2O1)C(F)(F)F"	"InChI=1S/C16H14F3NO2/c17-16(18,19)12-8-13(21)22-15-10-4-2-6-20-5-1-3-9(14(10)20)7-11(12)15/h7-8H,1-6H2"	"VSSSHNJONFTXHS-UHFFFAOYSA-N"	"?"
"3643"	"36405-17-1"	"Benzonitrile, 4-[[(4-butoxyphenyl)methylene]amino]-"	"DTXSID0067975"	"CCCCOC1C=CC(C=NC2C=CC(=CC=2)C#N)=CC=1"	"InChI=1S/C18H18N2O/c1-2-3-12-21-18-10-6-16(7-11-18)14-20-17-8-4-15(13-19)5-9-17/h4-11,14H,2-3,12H2,1H3"	"JWLPZJPDDBBWQD-UHFFFAOYSA-N"	"?"
"3644"	"15782-03-3"	"2-Naphthalenecarboxylic acid, 4-[(4-chloro-3-sulfophenyl)azo]-3-hydroxy-, strontium salt (1:1)"	"DTXSID0065939"	"OC(=O)C1=CC2=CC=CC=C2C(N=NC2C=C(C(Cl)=CC=2)S(O)(=O)=O)=C1O"	"InChI=1S/C17H11ClN2O6S/c18-13-6-5-10(8-14(13)27(24,25)26)19-20-15-11-4-2-1-3-9(11)7-12(16(15)21)17(22)23/h1-8,21H,(H,22,23)(H,24,25,26)"	"RVFIOAXBXFMIQE-UHFFFAOYSA-N"	"[Sr+2]"
"3645"	"292605-05-1"	"(3Z)-1-[(2-Methylprop-2-en-1-yl)oxy]hex-3-ene"	"DTXSID7051971"	"CCC=CCCOCC(C)=C"	"InChI=1S/C10H18O/c1-4-5-6-7-8-11-9-10(2)3/h5-6H,2,4,7-9H2,1,3H3"	"LIWYPQFTKLABSJ-UHFFFAOYSA-N"	"?"
"3646"	"15980-15-1"	"1,4-Oxathiane"	"DTXSID0065985"	"C1CSCCO1"	"InChI=1S/C4H8OS/c1-3-6-4-2-5-1/h1-4H2"	"JBYHSSAVUBIJMK-UHFFFAOYSA-N"	"?"
"3647"	"6153-89-5"	"1,10-Phenanthroline, 5-phenyl-"	"DTXSID0064127"	"C1=C(C2=CC=CN=C2C2=NC=CC=C21)C1C=CC=CC=1"	"InChI=1S/C18H12N2/c1-2-6-13(7-3-1)16-12-14-8-4-10-19-17(14)18-15(16)9-5-11-20-18/h1-12H"	"QQEQHUHZBMUJET-UHFFFAOYSA-N"	"?"
"3648"	"102-76-1"	"Triacetin"	"DTXSID3026691"	"CC(=O)OC(COC(C)=O)COC(C)=O"	"InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3"	"URAYPUMNDPQOKB-UHFFFAOYSA-N"	"?"
"3649"	"128075-79-6"	"Lufironil"	"DTXSID00155802"	"COCCNC(=O)C1C=C(C=CN=1)C(=O)NCCOC"	"InChI=1S/C13H19N3O4/c1-19-7-5-15-12(17)10-3-4-14-11(9-10)13(18)16-6-8-20-2/h3-4,9H,5-8H2,1-2H3,(H,15,17)(H,16,18)"	"JUCNGMPTCXPMNB-UHFFFAOYSA-N"	"?"
"3650"	"25103-52-0"	"Isooctanoic acid"	"DTXSID5040251"	"CC(C)CC(C)CC(O)=O"	"InChI=1S/C8H16O2/c1-6(2)4-7(3)5-8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)"	"KTWWTCBUJPAASC-UHFFFAOYSA-N"	"?"
"3651"	"14464-10-9"	"Propanoic acid, 3-hydroxy-, phenylmethyl ester"	"DTXSID0065773"	"OCCC(=O)OCC1C=CC=CC=1"	"InChI=1S/C10H12O3/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2"	"RDRDBYYUPACJJT-UHFFFAOYSA-N"	"?"
"3652"	"6294-31-1"	"Hexane, 1,1'-thiobis-"	"DTXSID0064206"	"CCCCCCSCCCCCC"	"InChI=1S/C12H26S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3"	"LHNRHYOMDUJLLM-UHFFFAOYSA-N"	"?"
"3653"	"5362-56-1"	"2-Pentenal, 4-methyl-"	"DTXSID0063816"	"CC(C)C=CC=O"	"InChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3"	"RIWPMNBTULNXOH-UHFFFAOYSA-N"	"?"
"3654"	"534-15-6"	"1,1-Dimethoxyethane"	"DTXSID7027178"	"CC(OC)OC"	"InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3"	"SPEUIVXLLWOEMJ-UHFFFAOYSA-N"	"?"
"3655"	"1007-36-9"	"N-Methyl-N'-phenylurea"	"DTXSID1074416"	"CNC(=O)NC1=CC=CC=C1"	"InChI=1S/C8H10N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11)"	"SQBHGDSDVWCPHN-UHFFFAOYSA-N"	"?"
"3656"	"4081-32-7"			"COC1C=C(C=CC=1OP(=S)(CCl)OCC)C#N"	"InChI=1S/C11H13ClNO3PS/c1-3-15-17(18,8-12)16-10-5-4-9(7-13)6-11(10)14-2/h4-6H,3,8H2,1-2H3"	"KVPDTNOBCPYEMW-UHFFFAOYSA-N"	"?"
"3657"	"1675-54-3"	"Bisphenol A diglycidyl ether"	"DTXSID6024624"	"CC(C)(C1C=CC(=CC=1)OCC1CO1)C1C=CC(=CC=1)OCC1CO1"	"InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3"	"LCFVJGUPQDGYKZ-UHFFFAOYSA-N"	"?"
"3658"	"12217-79-7"	"9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy-"	"DTXSID0065270"	"NC1=C(Cl)C=C(O)C2=C1C(=O)C1C(C2=O)=C(N)C=CC=1O"	"InChI=1S/C14H9ClN2O4/c15-4-3-7(19)10-11(12(4)17)14(21)9-6(18)2-1-5(16)8(9)13(10)20/h1-3,18-19H,16-17H2"	"SIRMWLMEYFPGAD-UHFFFAOYSA-N"	"?"
"3659"	"26130-15-4"			"C(OC1=CC=CO1)C1CO1"	"InChI=1S/C7H8O3/c1-2-7(8-3-1)10-5-6-4-9-6/h1-3,6H,4-5H2"	"RNMHNKUEFKIYQW-UHFFFAOYSA-N"	"?"
"3660"	"22767-50-6"	"1-Heptanesulfonic acid, sodium salt"	"DTXSID0066826"	"CCCCCCCS(O)(=O)=O"	"InChI=1S/C7H16O3S/c1-2-3-4-5-6-7-11(8,9)10/h2-7H2,1H3,(H,8,9,10)"	"AKRQHOWXVSDJEF-UHFFFAOYSA-N"	"[Na+]"
"3661"	"37027-10-4"	"1H-Pyrazolecarboxamide, 5-methyl-N-(2-methylphenyl)-"	"DTXSID90190525"	"CC1C=CC=CC=1NC(=O)C1C=C(C)NN=1"	"InChI=1S/C12H13N3O/c1-8-5-3-4-6-10(8)13-12(16)11-7-9(2)14-15-11/h3-7H,1-2H3,(H,13,16)(H,14,15)"	"JANAAOKYDKGMID-UHFFFAOYSA-N"	"?"
"3662"	"82958-11-0"			"CCC12CCCN3CCC4=C(C13)N(C(=C2)C(=O)OC1OC(=O)C2C=CC=CC=21)C1C=CC=CC4=1"	"InChI=1S/C28H26N2O4/c1-2-28-13-7-14-29-15-12-18-17-8-5-6-11-21(17)30(23(18)24(28)29)22(16-28)26(32)34-27-20-10-4-3-9-19(20)25(31)33-27/h3-6,8-11,16,24,27H,2,7,12-15H2,1H3"	"PEZLCFUBKMKIJA-UHFFFAOYSA-N"	"?"
"3663"	"16339-18-7"	"Acetonitrile, nitrosiminodi- (8CI)"	"DTXSID10167577"	"N#CCN(CC#N)N=O"	"InChI=1S/C4H4N4O/c5-1-3-8(7-9)4-2-6/h3-4H2"	"KQKDJPIPZMNIDQ-UHFFFAOYSA-N"	"?"
"3664"	"6044-50-4"	"1-Propanamine, N-methyl-3-(triethoxysilyl)-"	"DTXSID0064090"	"CNCCC[Si](OCC)(OCC)OCC"	"InChI=1S/C10H25NO3Si/c1-5-12-15(13-6-2,14-7-3)10-8-9-11-4/h11H,5-10H2,1-4H3"	"DTPZJXALAREFEY-UHFFFAOYSA-N"	"?"
"3665"	"16588-06-0"	"Benzamide, 4-chloro-3-nitro-"	"DTXSID0066086"	"NC(=O)C1C=C(C(Cl)=CC=1)[N+]([O-])=O"	"InChI=1S/C7H5ClN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)"	"CGXRJCDXGJRBHV-UHFFFAOYSA-N"	"?"
"3666"	"18451-96-2"	"10-Undecenoic acid, pentyl ester"	"DTXSID0066379"	"CCCCCOC(=O)CCCCCCCCC=C"	"InChI=1S/C16H30O2/c1-3-5-7-8-9-10-11-12-14-16(17)18-15-13-6-4-2/h3H,1,4-15H2,2H3"	"UODPTRHAWGAWQL-UHFFFAOYSA-N"	"?"
"3667"	"17671-27-1"	"Behenyl behenate"	"DTXSID0066242"	"CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC"	"InChI=1S/C44H88O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-43H2,1-2H3"	"NJIMZDGGLTUCPX-UHFFFAOYSA-N"	"?"
"3668"	"35465-66-8"	"Benzenesulfonic acid, dodecyl-, compd. with ethanamine (1:1)"	"DTXSID0067923"	"CCCCCCCCCCCCC1C=CC=CC=1S(O)(=O)=O"	"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)"	"WBIQQQGBSDOWNP-UHFFFAOYSA-N"	"NCC"
"3669"	"5344-27-4"	"2-(Pyridin-4-yl)ethanol"	"DTXSID4044953"	"OCCC1C=CN=CC=1"	"InChI=1S/C7H9NO/c9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9H,3,6H2"	"DWPYQDGDWBKJQL-UHFFFAOYSA-N"	"?"
"3670"	"38954-40-4"	"Ethanol, 2-(ethylphenylamino)-, acetate (ester)"	"DTXSID0068151"	"CC(=O)OCCN(CC)C1C=CC=CC=1"	"InChI=1S/C12H17NO2/c1-3-13(9-10-15-11(2)14)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3"	"GPCCXIVDZANEJZ-UHFFFAOYSA-N"	"?"
"3671"	"5242-49-9"	"Benzoxazole, 2-[4-[2-[4-(2-benzoxazolyl)phenyl]ethenyl]phenyl]-5-methyl-"	"DTXSID0063739"	"CC1C=C2N=C(OC2=CC=1)C1C=CC(C=CC2C=CC(=CC=2)C2=NC3=CC=CC=C3O2)=CC=1"	"InChI=1S/C29H20N2O2/c1-19-6-17-27-25(18-19)31-29(33-27)23-15-11-21(12-16-23)8-7-20-9-13-22(14-10-20)28-30-24-4-2-3-5-26(24)32-28/h2-18H,1H3"	"SOTPOQQKAUOHRO-UHFFFAOYSA-N"	"?"
"3672"	"78945-52-5"			"CC1(C)CC1CC1C(=O)N(C2=CC=CC=C2)N(C2=CC=CC=C2)C1=O"	"InChI=1S/C21H22N2O2/c1-21(2)14-15(21)13-18-19(24)22(16-9-5-3-6-10-16)23(20(18)25)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3"	"BMLODIWSMKZHFY-UHFFFAOYSA-N"	"?"
"3673"	"9004-54-0"			"OC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(O)C(O)C(=O)CO"	"InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h6-20,22-30H,1-4H2"	"PWAYLJFLFFFKEG-UHFFFAOYSA-N"	"?"
"3674"	"7554-65-6"	"4-Methylpyrazole"	"DTXSID3040649"	"CC1=CNN=C1"	"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)"	"RIKMMFOAQPJVMX-UHFFFAOYSA-N"	"?"
"3675"	"152264-72-7"	"1H-Isoindole-1,3(2H)-dione, 5-(bis(4-chlorophenyl)amino)-2-(3-pyridinylmethyl)-"	"DTXSID10164985"	"O=C1C2C=C(C=CC=2C(=O)N1CC1C=NC=CC=1)N(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C26H17Cl2N3O2/c27-18-3-7-20(8-4-18)31(21-9-5-19(28)6-10-21)22-11-12-23-24(14-22)26(33)30(25(23)32)16-17-2-1-13-29-15-17/h1-15H,16H2"	"LXIOJVSXCZJPEZ-UHFFFAOYSA-N"	"?"
"3676"	"4940-45-8"	"Ethanone, 1-[2,4-bis(phenylmethoxy)phenyl]-2-methoxy-"	"DTXSID0063654"	"COCC(=O)C1C=CC(=CC=1OCC1C=CC=CC=1)OCC1C=CC=CC=1"	"InChI=1S/C23H22O4/c1-25-17-22(24)21-13-12-20(26-15-18-8-4-2-5-9-18)14-23(21)27-16-19-10-6-3-7-11-19/h2-14H,15-17H2,1H3"	"CXEWRLLTJYRWCL-UHFFFAOYSA-N"	"?"
"3677"	"29444-46-0"	"Pyrazine, 2-methyl-6-propyl-"	"DTXSID0067470"	"CC1C=NC=C(CCC)N=1"	"InChI=1S/C8H12N2/c1-3-4-8-6-9-5-7(2)10-8/h5-6H,3-4H2,1-2H3"	"RMVVGACFOGJRMQ-UHFFFAOYSA-N"	"?"
"3678"	"18147-81-4"	"2-(Carbomethoxy)ethyltrichlorosilane"	"DTXSID0066321"	"COC(=O)CC[Si](Cl)(Cl)Cl"	"InChI=1S/C4H7Cl3O2Si/c1-9-4(8)2-3-10(5,6)7/h2-3H2,1H3"	"GHWAWUSLARFVNH-UHFFFAOYSA-N"	"?"
"3679"	"4070-75-1"	"2-Butene-1,4-dione, 1,4-diphenyl-"	"DTXSID0063284"	"O=C(C=CC(=O)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H"	"WYCXGQSQHAXLPK-UHFFFAOYSA-N"	"?"
"3680"	"60114-74-1"	"Disulfide, tert-dodecyl trichloromethyl"	"DTXSID0069385"	"CC(C)(CCCCCCCCC)SSC(Cl)(Cl)Cl"	"InChI=1S/C13H25Cl3S2/c1-4-5-6-7-8-9-10-11-12(2,3)17-18-13(14,15)16/h4-11H2,1-3H3"	"HQMWYXQYQCOBOU-UHFFFAOYSA-N"	"?"
"3681"	"63610-08-2"	"Indobufen"	"DTXSID7057789"	"CCC(C(O)=O)C1C=CC(=CC=1)N1CC2C=CC=CC=2C1=O"	"InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)"	"AYDXAULLCROVIT-UHFFFAOYSA-N"	"?"
"3682"	"2142-68-9"	"Ethanone, 1-(2-chlorophenyl)-"	"DTXSID1062201"	"CC(=O)C1C=CC=CC=1Cl"	"InChI=1S/C8H7ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3"	"ZDOYHCIRUPHUHN-UHFFFAOYSA-N"	"?"
"3683"	"15199-26-5"	"1H-Isoindole-1,3(2H)-dione, 2-[(4-methylphenyl)thio]-"	"DTXSID0073401"	"CC1C=CC(=CC=1)SN1C(=O)C2=CC=CC=C2C1=O"	"InChI=1S/C15H11NO2S/c1-10-6-8-11(9-7-10)19-16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3"	"JQDALPOOQVVODE-UHFFFAOYSA-N"	"?"
"3684"	"26479-97-0"	"Hexanedioic acid, bis[2-[ethyl(3-methylphenyl)amino]ethyl] ester"	"DTXSID0067212"	"CC1=CC(=CC=C1)N(CCOC(=O)CCCCC(=O)OCCN(CC)C1C=C(C)C=CC=1)CC"	"InChI=1S/C28H40N2O4/c1-5-29(25-13-9-11-23(3)21-25)17-19-33-27(31)15-7-8-16-28(32)34-20-18-30(6-2)26-14-10-12-24(4)22-26/h9-14,21-22H,5-8,15-20H2,1-4H3"	"GSGOXDRESSXNBM-UHFFFAOYSA-N"	"?"
"3685"	"37032-15-8"	"Sophamide"	"DTXSID9042419"	"COCNC(=O)CSP(=S)(OC)OC"	"InChI=1S/C6H14NO4PS2/c1-9-5-7-6(8)4-14-12(13,10-2)11-3/h4-5H2,1-3H3,(H,7,8)"	"FCUBTKFQDYNIIC-UHFFFAOYSA-N"	"?"
"3686"	"6291-85-6"	"1-Propanamine, 3-ethoxy-"	"DTXSID0064202"	"CCOCCCN"	"InChI=1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3"	"SOYBEXQHNURCGE-UHFFFAOYSA-N"	"?"
"3687"	"13125-51-4"	"Silane, diisothiocyanatodimethyl-"	"DTXSID0065357"	"C[Si](C)(N=C=S)N=C=S"	"InChI=1S/C4H6N2S2Si/c1-9(2,5-3-7)6-4-8/h1-2H3"	"WCCKEPKWCKHBLU-UHFFFAOYSA-N"	"?"
"3688"	"28924-21-2"	"Ethanone, 1-[3,5-bis(phenylmethoxy)phenyl]-"	"DTXSID0067424"	"CC(=O)C1C=C(C=C(C=1)OCC1C=CC=CC=1)OCC1C=CC=CC=1"	"InChI=1S/C22H20O3/c1-17(23)20-12-21(24-15-18-8-4-2-5-9-18)14-22(13-20)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3"	"KOJXGMJOTRYLBD-UHFFFAOYSA-N"	"?"
"3689"	"866-84-2"	"1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripotassium salt"	"DTXSID8027325"	"OC(=O)C(O)(CC(O)=O)CC(O)=O"	"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)"	"KRKNYBCHXYNGOX-UHFFFAOYSA-N"	"[K+].[K+].[K+]"
"3690"	"15742-62-8"	"Octanoyl fluoride, 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)-"	"DTXSID0065931"	"O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F"	"InChI=1S/C9F18O/c10-1(28)2(11,12)4(14,15)6(18,19)7(20,21)5(16,17)3(13,8(22,23)24)9(25,26)27"	"MTWYDIQAJFAPGH-UHFFFAOYSA-N"	"?"
"3691"	"4403-12-7"	"Triethylene glycol monotridecyl ether"	"DTXSID0063442"	"CCCCCCCCCCCCCOCCOCCOCCO"	"InChI=1S/C19H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-21-16-18-23-19-17-22-15-13-20/h20H,2-19H2,1H3"	"KLFVDTRVIFNWIH-UHFFFAOYSA-N"	"?"
"3692"	"195252-43-8"	"Formamide, N-cyclopropyl-N-(9-cyclopropyl-9H-purin-6-yl)-"	"DTXSID80173180"	"O=CN(C1CC1)C1=NC=NC2=C1N=CN2C1CC1"	"InChI=1S/C12H13N5O/c18-7-17(9-3-4-9)12-10-11(13-5-14-12)16(6-15-10)8-1-2-8/h5-9H,1-4H2"	"PGFPDJZKPKEIIC-UHFFFAOYSA-N"	"?"
"3693"	"52913-45-8"	"Amidosulfenyl chloride, methyl[(4-methylphenyl)sulfonyl]-"	"DTXSID0068816"	"CC1C=CC(=CC=1)S(=O)(=O)N(C)SCl"	"InChI=1S/C8H10ClNO2S2/c1-7-3-5-8(6-4-7)14(11,12)10(2)13-9/h3-6H,1-2H3"	"NAWQKWLDGDPPJR-UHFFFAOYSA-N"	"?"
"3694"	"12223-39-1"	"Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]azo]-5-nitro-"	"DTXSID0065274"	"CC(=O)OCCN(CCC#N)C1C=CC(=CC=1)N=NC1C=CC(=CC=1C#N)[N+]([O-])=O"	"InChI=1S/C20H18N6O4/c1-15(27)30-12-11-25(10-2-9-21)18-5-3-17(4-6-18)23-24-20-8-7-19(26(28)29)13-16(20)14-22/h3-8,13H,2,10-12H2,1H3"	"UKDMYBSNSXIHND-UHFFFAOYSA-N"	"?"
"3695"	"19812-92-1"	"[1,1'-Biphenyl]-4-ol, 4'-(1,1-dimethylethyl)-"	"DTXSID0066535"	"CC(C)(C)C1C=CC(=CC=1)C1C=CC(O)=CC=1"	"InChI=1S/C16H18O/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h4-11,17H,1-3H3"	"NXIXRLZJEZGKGY-UHFFFAOYSA-N"	"?"
"3696"	"29765-00-2"	"Benzamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(4-nitrophenyl)azo]phenyl]-"	"DTXSID0067507"	"CC(=O)OCCN(CCOC(C)=O)C1C=C(NC(=O)C2C=CC=CC=2)C(=CC=1)N=NC1C=CC(=CC=1)[N+]([O-])=O"	"InChI=1S/C27H27N5O7/c1-19(33)38-16-14-31(15-17-39-20(2)34)24-12-13-25(30-29-22-8-10-23(11-9-22)32(36)37)26(18-24)28-27(35)21-6-4-3-5-7-21/h3-13,18H,14-17H2,1-2H3,(H,28,35)"	"ORNBGJQGKJZRNY-UHFFFAOYSA-N"	"?"
"3697"	"49859-70-3"	"2-Propenoic acid, 2-[methyl[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino]ethyl ester"	"DTXSID0068523"	"CN(CCOC(=O)C=C)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C14H14F13NO4S/c1-3-8(29)32-6-5-28(2)33(30,31)7-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h3H,1,4-7H2,2H3"	"HATNGDPVYXXGKR-UHFFFAOYSA-N"	"?"
"3698"	"130209-82-4"	"Latanoprost"	"DTXSID1041057"	"CC(C)OC(=O)CCCC=CCC1C(O)CC(O)C1CCC(O)CCC1=CC=CC=C1"	"InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3"	"GGXICVAJURFBLW-UHFFFAOYSA-N"	"?"
"3699"	"2740-04-7"	"Dimefline hydrochloride"	"DTXSID1046841"	"CC1C(=O)C2C=CC(OC)=C(CN(C)C)C=2OC=1C1C=CC=CC=1"	"InChI=1S/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3"	"ZXFQRFXLFWWKLX-UHFFFAOYSA-N"	"Cl"
"3700"	"23424-47-7"	"Carbendazim hydrochloride"	"DTXSID8058370"	"COC(=O)NC1NC2C=CC=CC=2N=1"	"InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)"	"TWFZGCMQGLPBSX-UHFFFAOYSA-N"	"Cl"
"3701"	"693-33-4"	"1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt"	"DTXSID8027298"	"CCCCCCCCCCCCCCCC[N+](C)(C)CC(O)=O"	"InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20(22)23/h4-19H2,1-3H3/p+1"	"TYIOVYZMKITKRO-UHFFFAOYSA-O"	"?"
"3702"	"7620-46-4"	"Acridine, 9-isothiocyanato-"	"DTXSID0064753"	"S=C=NC1C2=CC=CC=C2N=C2C=CC=CC2=1"	"InChI=1S/C14H8N2S/c17-9-15-14-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)14/h1-8H"	"NLSUMBWPPJUVST-UHFFFAOYSA-N"	"?"
"3703"	"56269-22-8"	"2,4,6-Nonatrienal"	"DTXSID0069090"	"CCC=CC=CC=CC=O"	"InChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h3-9H,2H2,1H3"	"XHDSWFFUGPJMMN-UHFFFAOYSA-N"	"?"
"3704"	"59504-34-6"	"Pyrrolidine, 1-(4-methyl-2-nitrophenyl)-"	"DTXSID0069333"	"CC1=CC(=C(C=C1)N1CCCC1)[N+]([O-])=O"	"InChI=1S/C11H14N2O2/c1-9-4-5-10(11(8-9)13(14)15)12-6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3"	"VQVVPXREFQQTBV-UHFFFAOYSA-N"	"?"
"3705"	"90717-03-6"	"Quinmerac"	"DTXSID1042364"	"CC1=CC2C=CC(Cl)=C(C(O)=O)C=2N=C1"	"InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)"	"ALZOLUNSQWINIR-UHFFFAOYSA-N"	"?"
"3706"	"4792-30-7"	"1,3-Isobenzofurandione, 4-methyl-"	"DTXSID0063606"	"CC1=CC=CC2=C1C(=O)OC2=O"	"InChI=1S/C9H6O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-4H,1H3"	"TWWAWPHAOPTQEU-UHFFFAOYSA-N"	"?"
"3707"	"553-69-5"			"OC(CNC1C=CC=CN=1)C1C=CC=CC=1"	"InChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)"	"ZEAJXCPGHPJVNP-UHFFFAOYSA-N"	"?"
"3708"	"4083-57-2"	"3-Pentanamine, 2,4-dimethyl-"	"DTXSID0063288"	"CC(C)C(N)C(C)C"	"InChI=1S/C7H17N/c1-5(2)7(8)6(3)4/h5-7H,8H2,1-4H3"	"FATQVQVMXNESGD-UHFFFAOYSA-N"	"?"
"3709"	"50995-95-4"	"1H-Imidazole, 2-propyl-"	"DTXSID0068606"	"CCCC1NC=CN=1"	"InChI=1S/C6H10N2/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3,(H,7,8)"	"MKBBSFGKFMQPPC-UHFFFAOYSA-N"	"?"
"3710"	"55079-83-9"	"Acitretin"	"DTXSID6022553"	"CC(=CC(O)=O)C=CC=C(C)C=CC1=C(C)C(C)=C(C=C1C)OC"	"InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)"	"IHUNBGSDBOWDMA-UHFFFAOYSA-N"	"?"
"3711"	"6359-91-7"	"C.I. Acid Yellow 29"	"DTXSID0064256"	"CC1=NN(C2C=C(C=CC=2Cl)S(O)(=O)=O)C(O)=C1N=NC1=CC(=CC=C1)S(=O)(=O)NC1C=CC=CC=1"	"InChI=1S/C22H18ClN5O6S2/c1-14-21(22(29)28(26-14)20-13-18(36(32,33)34)10-11-19(20)23)25-24-16-8-5-9-17(12-16)35(30,31)27-15-6-3-2-4-7-15/h2-13,27,29H,1H3,(H,32,33,34)"	"MZVUUOAIZDGPJI-UHFFFAOYSA-N"	"[Na+]"
"3712"	"123-31-9"	"Hydroquinone"	"DTXSID7020716"	"OC1C=CC(O)=CC=1"	"InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H"	"QIGBRXMKCJKVMJ-UHFFFAOYSA-N"	"?"
"3713"	"3624-90-6"	"Benzenesulfonamide, N-(2-aminophenyl)-4-methyl-"	"DTXSID0063105"	"CC1C=CC(=CC=1)S(=O)(=O)NC1C=CC=CC=1N"	"InChI=1S/C13H14N2O2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h2-9,15H,14H2,1H3"	"AQUNQTJQZYZXMR-UHFFFAOYSA-N"	"?"
"3714"	"73138-27-9"	"C12-14 tert-alkyl ethoxylated amines"	"DTXSID4050483"	"CC(C)(N)CCCCCCCCCCOCCO"	"InChI=1S/C15H33NO2/c1-15(2,16)11-9-7-5-3-4-6-8-10-13-18-14-12-17/h17H,3-14,16H2,1-2H3"	"YGJDHDADZBSSRW-UHFFFAOYSA-N"	"?"
"3715"	"50963-62-7"	"Acetamide, N-[2-[(2-cyano-4,6-dinitrophenyl)azo]-5-[ethyl(phenylmethyl)amino]phenyl]-"	"DTXSID0068600"	"CC(=O)NC1C=C(C=CC=1N=NC1C(=CC(=CC=1C#N)[N+]([O-])=O)[N+]([O-])=O)N(CC1C=CC=CC=1)CC"	"InChI=1S/C24H21N7O5/c1-3-29(15-17-7-5-4-6-8-17)19-9-10-21(22(12-19)26-16(2)32)27-28-24-18(14-25)11-20(30(33)34)13-23(24)31(35)36/h4-13H,3,15H2,1-2H3,(H,26,32)"	"HLEPAQNRQXSUEC-UHFFFAOYSA-N"	"?"
"3716"	"98-54-4"	"4-tert-Butylphenol"	"DTXSID1020221"	"CC(C)(C)C1C=CC(O)=CC=1"	"InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3"	"QHPQWRBYOIRBIT-UHFFFAOYSA-N"	"?"
"3717"	"67874-81-1"	"1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)-"	"DTXSID90886996"	"CC1(C)C2CC3(CCC2(C)OC)C1CCC3C"	"InChI=1S/C16H28O/c1-11-6-7-12-14(2,3)13-10-16(11,12)9-8-15(13,4)17-5/h11-13H,6-10H2,1-5H3"	"HRGPYCVTDOECMG-UHFFFAOYSA-N"	"?"
"3718"	"24108-89-2"	"C.I. Pigment Red 123"	"DTXSID0066957"	"CCOC1C=CC(=CC=1)N1C(=O)C2C=CC3=C4C=2C(=CC=C4C2C=CC4=C5C=2C3=CC=C5C(=O)N(C2C=CC(=CC=2)OCC)C4=O)C1=O"	"InChI=1S/C40H26N2O6/c1-3-47-23-9-5-21(6-10-23)41-37(43)29-17-13-25-27-15-19-31-36-32(40(46)42(39(31)45)22-7-11-24(12-8-22)48-4-2)20-16-28(34(27)36)26-14-18-30(38(41)44)35(29)33(25)26/h5-20H,3-4H2,1-2H3"	"SUAFEKASGNVLFQ-UHFFFAOYSA-N"	"?"
"3719"	"96719-66-3"			"COC1=CC2CCN(C(C=2C=C1)C1C=CC(O)=CC=1)C1C=CC=CC=1"	"InChI=1S/C22H21NO2/c1-25-20-11-12-21-17(15-20)13-14-23(18-5-3-2-4-6-18)22(21)16-7-9-19(24)10-8-16/h2-12,15,22,24H,13-14H2,1H3"	"ADCYNTGYMHUSED-UHFFFAOYSA-N"	"Cl"
"3720"	"40454-21-5"	"N-guanylcysteine"	"DTXSID90193470"	"NC(N)=NC(CS)C(O)=O"	"InChI=1S/C4H9N3O2S/c5-4(6)7-2(1-10)3(8)9/h2,10H,1H2,(H,8,9)(H4,5,6,7)"	"XWRZKLKALVJDDS-UHFFFAOYSA-N"	"?"
"3721"	"88599-65-9"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 2,4-dichlorophenyl ester"	"DTXSID90237186"	"NC(=O)OC1=CC=C(Cl)C=C1C(=O)OC1=CC=C(Cl)C=C1Cl"	"InChI=1S/C14H8Cl3NO4/c15-7-1-3-11(22-14(18)20)9(5-7)13(19)21-12-4-2-8(16)6-10(12)17/h1-6H,(H2,18,20)"	"MJDADXLDQAHTCI-UHFFFAOYSA-N"	"?"
"3722"	"50838-36-3"	"Tolciclate"	"DTXSID0057758"	"CC1C=C(C=CC=1)N(C)C(=S)OC1=CC2C3CC(CC3)C=2C=C1"	"InChI=1S/C20H21NOS/c1-13-4-3-5-16(10-13)21(2)20(23)22-17-8-9-18-14-6-7-15(11-14)19(18)12-17/h3-5,8-10,12,14-15H,6-7,11H2,1-2H3"	"CANCCLAKQQHLNK-UHFFFAOYSA-N"	"?"
"3723"	"12236-86-1"			"OCCS(=O)(=O)C1C=CC(=CC=1)NS(=O)(=O)C1=CC2=C3NC(N=C4N=C(N=C5NC(=NC6=NC(=N3)C3=CC=C(C=C36)S(O)(=O)=O)C3=CC=C(C=C35)S(O)(=O)=O)C3=CC=C(C=C34)S(O)(=O)=O)=C2C=C1 |c:23,27,30,34|"	"InChI=1S/C40H27N9O14S5/c50-13-14-64(51,52)20-3-1-19(2-4-20)49-65(53,54)21-5-9-25-29(15-21)37-41-33(25)43-38-31-17-23(67(58,59)60)7-11-27(31)35(45-38)47-40-32-18-24(68(61,62)63)8-12-28(32)36(48-40)46-39-30-16-22(66(55,56)57)6-10-26(30)34(42-37)44-39/h1-12,15-18,49-50H,13-14H2,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H2,41,42,43,44,45,46,47,48)"	"HKTAMWNYHWZEFD-UHFFFAOYSA-N"	"[Cu+2]"
"3724"	"17683-09-9"	"1-Triazene, 1-(4-methylphenyl)-3-(phenylmethyl)-"	"DTXSID0066244"	"CC1=CC=C(C=C1)/N=N/NCC1C=CC=CC=1"	"InChI=1S/C14H15N3/c1-12-7-9-14(10-8-12)16-17-15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,15,16)"	"IWCGEJKKDAJKJE-UHFFFAOYSA-N"	"?"
"3725"	"22984-54-9"	"2-Butanone, O,O',O''-(methylsilylidyne)trioxime"	"DTXSID3027823"	"C[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC"	"InChI=1S/C13H27N3O3Si/c1-8-11(4)14-17-20(7,18-15-12(5)9-2)19-16-13(6)10-3/h8-10H2,1-7H3"	"OGZPYBBKQGPQNU-UHFFFAOYSA-N"	"?"
"3726"	"765-05-9"	"Decane, 1-(ethenyloxy)-"	"DTXSID9061095"	"CCCCCCCCCCOC=C"	"InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12-13-4-2/h4H,2-3,5-12H2,1H3"	"NSOAQRMLVFRWIT-UHFFFAOYSA-N"	"?"
"3727"	"13402-02-3"	"Hexadecyl acrylate"	"DTXSID0065434"	"CCCCCCCCCCCCCCCCOC(=O)C=C"	"InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h4H,2-3,5-18H2,1H3"	"PZDUWXKXFAIFOR-UHFFFAOYSA-N"	"?"
"3728"	"3731-53-1"	"4-Pyridinemethanamine"	"DTXSID0063153"	"NCC1C=CN=CC=1"	"InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2"	"TXQWFIVRZNOPCK-UHFFFAOYSA-N"	"?"
"3729"	"500011-86-9"	"3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid"	"DTXSID30469045"	"OC(=O)C1=CC(Br)=NN1C1N=CC=CC=1Cl"	"InChI=1S/C9H5BrClN3O2/c10-7-4-6(9(15)16)14(13-7)8-5(11)2-1-3-12-8/h1-4H,(H,15,16)"	"FORBXGROTPOMEH-UHFFFAOYSA-N"	"?"
"3730"	"16773-42-5"	"Ornidazole"	"DTXSID4045420"	"CC1=NC=C(N1CC(O)CCl)[N+]([O-])=O"	"InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3"	"IPWKIXLWTCNBKN-UHFFFAOYSA-N"	"?"
"3731"	"100-03-8"	"4-Chlorobenzenesulphinic acid"	"DTXSID5024768"	"OS(=O)C1C=CC(Cl)=CC=1"	"InChI=1S/C6H5ClO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)"	"AOQYAMDZQAEDLO-UHFFFAOYSA-N"	"?"
"3732"	"143-18-0"	"Potassium oleate"	"DTXSID0025949"	"CCCCCCCCC=CCCCCCCCC(O)=O"	"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)"	"ZQPPMHVWECSIRJ-UHFFFAOYSA-N"	"[K+]"
"3733"	"46878-66-4"	"Salicylamide, N,N-dimethyl-3-phenyl-"	"DTXSID40196971"	"CN(C)C(=O)C1=CC=CC(=C1O)C1C=CC=CC=1"	"InChI=1S/C15H15NO2/c1-16(2)15(18)13-10-6-9-12(14(13)17)11-7-4-3-5-8-11/h3-10,17H,1-2H3"	"FFHMRUWVKUUENH-UHFFFAOYSA-N"	"?"
"3734"	"7621-86-5"	"1H-Benzimidazol-5-amine, 2-(4-aminophenyl)-"	"DTXSID0064755"	"NC1C=C2N=C(NC2=CC=1)C1C=CC(N)=CC=1"	"InChI=1S/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17)"	"XAFOTXWPFVZQAZ-UHFFFAOYSA-N"	"?"
"3735"	"14205-47-1"	"2-Butenoic acid, 3-amino-, 1,4-butanediyl ester"	"DTXSID0065727"	"CC(=N)CC(=O)OCCCCOC(=O)CC(C)=N"	"InChI=1S/C12H20N2O4/c1-9(13)7-11(15)17-5-3-4-6-18-12(16)8-10(2)14/h13-14H,3-8H2,1-2H3"	"CZEQQULKBIHDKK-UHFFFAOYSA-N"	"?"
"3736"	"2511-10-6"	"Phosphonothioic acid, P-methyl-, O,S-diethyl ester"	"DTXSID40870981"	"CP(=O)(OCC)SCC"	"InChI=1S/C5H13O2PS/c1-4-7-8(3,6)9-5-2/h4-5H2,1-3H3"	"AIMOGGQLCCAPQJ-UHFFFAOYSA-N"	"?"
"3737"	"57683-45-1"	"9-Octadecenoic acid (9Z)-, isooctadecyl ester"	"DTXSID0069200"	"CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C"	"InChI=1S/C36H70O2/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-27-30-33-36(37)38-34-31-28-25-22-19-16-13-14-17-20-23-26-29-32-35(2)3/h11-12,35H,4-10,13-34H2,1-3H3"	"BBBHAOOLZKQYKX-UHFFFAOYSA-N"	"?"
"3738"	"2437-25-4"	"Dodecanenitrile"	"DTXSID1022188"	"CCCCCCCCCCCC#N"	"InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3"	"VXCUURYYWGCLIH-UHFFFAOYSA-N"	"?"
"3739"	"5657-19-2"	"Furoylglycine"	"DTXSID50205124"	"OC(=O)CNC(=O)C1=CC=CO1"	"InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)"	"KSPQDMRTZZYQLM-UHFFFAOYSA-N"	"?"
"3740"	"5183-78-8"	"N-Methylbenzenesulfonamide"	"DTXSID0063731"	"CNS(=O)(=O)C1C=CC=CC=1"	"InChI=1S/C7H9NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h2-6,8H,1H3"	"SVDVKEBISAOWJT-UHFFFAOYSA-N"	"?"
"3741"	"36380-97-9"	"Ethanone, 1-(2-hydroxy-4-methylphenyl)-, oxime"	"DTXSID0067973"	"CC1C=C(O)C(=CC=1)C(C)N=O"	"InChI=1S/C9H11NO2/c1-6-3-4-8(7(2)10-12)9(11)5-6/h3-5,7,11H,1-2H3"	"LJDWAEXDDQHYGA-UHFFFAOYSA-N"	"?"
"3742"	"112-24-3"	"Triethylenetetramine"	"DTXSID9023702"	"NCCNCCNCCN"	"InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2"	"VILCJCGEZXAXTO-UHFFFAOYSA-N"	"?"
"3743"	"58444-07-8"	"5,9-Hexadecadiyne, 16-chloro-"	"DTXSID0069250"	"CCCCC#CCCC#CCCCCCCCl"	"InChI=1S/C16H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-4,7-8,11-16H2,1H3"	"KALOSERCJZNJMW-UHFFFAOYSA-N"	"?"
"3744"	"58473-78-2"	"Benzenamine, 4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl)-"	"DTXSID0069258"	"CC1C=CC(=CC=1)N(C1C=CC(=CC=1)C1(CCCCC1)C1C=CC(=CC=1)N(C1C=CC(C)=CC=1)C1C=CC(C)=CC=1)C1C=CC(C)=CC=1"	"InChI=1S/C46H46N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-31H,5-7,32-33H2,1-4H3"	"ZOKIJILZFXPFTO-UHFFFAOYSA-N"	"?"
"3745"	"10411-85-5"	"Benzoyl chloride, 3,6-dichloro-2-methoxy-"	"DTXSID0065064"	"COC1C(C(=O)Cl)=C(Cl)C=CC=1Cl"	"InChI=1S/C8H5Cl3O2/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3"	"LLUYGIUJQSTELT-UHFFFAOYSA-N"	"?"
"3746"	"4572-03-6"	"1-Piperazinepropanamine, 4-methyl-"	"DTXSID0063527"	"CN1CCN(CCCN)CC1"	"InChI=1S/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3"	"RGUABPVONIGVAT-UHFFFAOYSA-N"	"?"
"3747"	"596-11-2"			"COC1CC23C(=CCN2CCC2COC(=O)CC3=2)C=C1"	"InChI=1S/C16H19NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,5,13H,4,6-10H2,1H3"	"PXWINCSLFXUWBZ-UHFFFAOYSA-N"	"[Cl-]"
"3748"	"8003-88-1"	"C.I. Acid Orange 51"	"DTXSID0064888"	"CC1C=CC(=CC=1)S(=O)(=O)OC1=CC=C(C=C1C)N=NC1=CC=C(N=NC2C=CC(=CC=2)NC2C=CC(=CC=2S(O)(=O)=O)[N+]([O-])=O)C2=CC=C(C=C21)S(O)(=O)=O"	"InChI=1S/C36H28N6O11S3/c1-22-3-11-28(12-4-22)56(51,52)53-35-18-9-26(19-23(35)2)39-41-33-17-16-32(30-14-13-29(21-31(30)33)54(45,46)47)40-38-25-7-5-24(6-8-25)37-34-15-10-27(42(43)44)20-36(34)55(48,49)50/h3-21,37H,1-2H3,(H,45,46,47)(H,48,49,50)"	"FECGXKTXMYZTJP-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3749"	"31543-75-6"	"2,4-Dibromotoluene"	"DTXSID0067632"	"CC1=CC=C(Br)C=C1Br"	"InChI=1S/C7H6Br2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3"	"GHWYNNFPUGEYEM-UHFFFAOYSA-N"	"?"
"3750"	"20267-74-7"	"S-Pentylisothiourea"	"DTXSID0066587"	"CCCCCSC(N)=N"	"InChI=1S/C6H14N2S/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3,(H3,7,8)"	"HJLINEXLRZJOQU-UHFFFAOYSA-N"	"?"
"3751"	"40495-69-0"	"2-Anthracenesulfonyl chloride, 1-amino-4-bromo-9,10-dihydro-9,10-dioxo-"	"DTXSID0068232"	"NC1C2=C(C(Br)=CC=1S(=O)(=O)Cl)C(=O)C1=CC=CC=C1C2=O"	"InChI=1S/C14H7BrClNO4S/c15-8-5-9(22(16,20)21)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2"	"QHVDMXMRCQFJNU-UHFFFAOYSA-N"	"?"
"3752"	"119-65-3"	"Isoquinoline"	"DTXSID2047644"	"C1=NC=CC2C=CC=CC=21"	"InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H"	"AWJUIBRHMBBTKR-UHFFFAOYSA-N"	"?"
"3753"	"82428-30-6"			"CC(=C)C(=O)OCC1CCC2OC2C1"	"InChI=1S/C11H16O3/c1-7(2)11(12)13-6-8-3-4-9-10(5-8)14-9/h8-10H,1,3-6H2,2H3"	"FYYIUODUDSPAJQ-UHFFFAOYSA-N"	"?"
"3754"	"3433-80-5"	"2-Bromobenzyl bromide"	"DTXSID0063022"	"BrC1C=CC=CC=1CBr"	"InChI=1S/C7H6Br2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2"	"LZSYGJNFCREHMD-UHFFFAOYSA-N"	"?"
"3755"	"6074-15-3"			"CC(CC)C1C=C(C=C(C=1OC(=O)SCC)[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C13H16N2O6S/c1-4-8(3)10-6-9(14(17)18)7-11(15(19)20)12(10)21-13(16)22-5-2/h6-8H,4-5H2,1-3H3"	"QKKGMEKXCCXHKQ-UHFFFAOYSA-N"	"?"
"3756"	"6338-70-1"	"3-Thiophenamine, tetrahydro-, 1,1-dioxide"	"DTXSID60884262"	"NC1CS(=O)(=O)CC1"	"InChI=1S/C4H9NO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3,5H2"	"OVKIDXBGVUQFFC-UHFFFAOYSA-N"	"?"
"3757"	"26868-32-6"	"Benzenesulfonamide, N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-4-methyl-"	"DTXSID0067264"	"CC1C=CC(=CC=1)S(=O)(=O)NC1C=C(Br)C(N)=C2C=1C(=O)C1C=CC=CC=1C2=O"	"InChI=1S/C21H15BrN2O4S/c1-11-6-8-12(9-7-11)29(27,28)24-16-10-15(22)19(23)18-17(16)20(25)13-4-2-3-5-14(13)21(18)26/h2-10,24H,23H2,1H3"	"BDJMCMGZOMQUMJ-UHFFFAOYSA-N"	"?"
"3758"	"54903-12-7"	"6-Benzoyl benzoxazolinone"	"DTXSID90203402"	"O=C1NC2C=CC(=CC=2O1)C(=O)C1C=CC=CC=1"	"InChI=1S/C14H9NO3/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-14(17)15-11/h1-8H,(H,15,17)"	"FNIQWNQNMXTVJJ-UHFFFAOYSA-N"	"?"
"3759"	"33671-46-4"	"Clotiazepam"	"DTXSID0022852"	"CCC1=CC2C(=NCC(=O)N(C)C=2S1)C1=CC=CC=C1Cl"	"InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3"	"CHBRHODLKOZEPZ-UHFFFAOYSA-N"	"?"
"3760"	"10248-74-5"	"Octadecanoic acid, 2-[bis(2-hydroxyethyl)amino]ethyl ester"	"DTXSID0065016"	"CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)CCO"	"InChI=1S/C24H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)29-23-20-25(18-21-26)19-22-27/h26-27H,2-23H2,1H3"	"FVIMRJIDRHUTQP-UHFFFAOYSA-N"	"?"
"3761"	"34614-29-4"	"1H-Pyrazolo(3,4-b)pyridine, 3-butoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-"	"DTXSID90188184"	"CCCCOC1=NN(C2=NC=CC=C21)C1C=C(C=CC=1)C(F)(F)F"	"InChI=1S/C17H16F3N3O/c1-2-3-10-24-16-14-8-5-9-21-15(14)23(22-16)13-7-4-6-12(11-13)17(18,19)20/h4-9,11H,2-3,10H2,1H3"	"JYEZATRKDHFEPJ-UHFFFAOYSA-N"	"?"
"3762"	"3934-76-7"	"[1,1'-Biphenyl]-2,3,4-triol"	"DTXSID0063236"	"OC1C(O)=C(C=CC=1O)C1C=CC=CC=1"	"InChI=1S/C12H10O3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7,13-15H"	"XRBNDLYHPCVYGC-UHFFFAOYSA-N"	"?"
"3763"	"26177-81-1"	"4,4'-[[1,1'-Biphenyl]-4,4'-diylbis(oxy)]bisphthalic acid"	"DTXSID0067183"	"OC(=O)C1=CC=C(C=C1C(O)=O)OC1C=CC(=CC=1)C1C=CC(=CC=1)OC1C=C(C(=CC=1)C(O)=O)C(O)=O"	"InChI=1S/C28H18O10/c29-25(30)21-11-9-19(13-23(21)27(33)34)37-17-5-1-15(2-6-17)16-3-7-18(8-4-16)38-20-10-12-22(26(31)32)24(14-20)28(35)36/h1-14H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)"	"QMTREXUMAIMKKJ-UHFFFAOYSA-N"	"?"
"3764"	"18714-16-4"	"4-Phenyl-2-pyridinecarbonitrile"	"DTXSID0066400"	"N#CC1C=C(C=CN=1)C1C=CC=CC=1"	"InChI=1S/C12H8N2/c13-9-12-8-11(6-7-14-12)10-4-2-1-3-5-10/h1-8H"	"TXLINXBIWJYFNR-UHFFFAOYSA-N"	"?"
"3765"	"18169-57-8"	"Silane, trichloro(2-methylpropyl)-"	"DTXSID0066329"	"CC(C)C[Si](Cl)(Cl)Cl"	"InChI=1S/C4H9Cl3Si/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3"	"GBXOGFTVYQSOID-UHFFFAOYSA-N"	"?"
"3766"	"96719-48-1"			"COC1=CC2CCN(C(C=2C=C1)C1C=CC=CC=1Cl)C1C=CC=CC=1"	"InChI=1S/C22H20ClNO/c1-25-18-11-12-19-16(15-18)13-14-24(17-7-3-2-4-8-17)22(19)20-9-5-6-10-21(20)23/h2-12,15,22H,13-14H2,1H3"	"VTCSPRDLJWCJAP-UHFFFAOYSA-N"	"?"
"3767"	"52955-40-5"	"2-Propenal, 2-bromo-3-methoxy-"	"DTXSID0068818"	"COC=C(Br)C=O"	"InChI=1S/C4H5BrO2/c1-7-3-4(5)2-6/h2-3H,1H3"	"IKAXVYVALZRMES-UHFFFAOYSA-N"	"?"
"3768"	"730-98-3"			"OC(CN=O)(C#CC1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C16H13NO2/c18-16(13-17-19,15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,18H,13H2"	"ATNCAPZZRWUFJK-UHFFFAOYSA-N"	"?"
"3769"	"4482-70-6"	"Benzenamine, 4,4',4''-methylidynetris[N,N-diethyl-3-methyl-"	"DTXSID0063492"	"CC1=CC(=CC=C1C(C1C=CC(=CC=1C)N(CC)CC)C1C=CC(=CC=1C)N(CC)CC)N(CC)CC"	"InChI=1S/C34H49N3/c1-10-35(11-2)28-16-19-31(25(7)22-28)34(32-20-17-29(23-26(32)8)36(12-3)13-4)33-21-18-30(24-27(33)9)37(14-5)15-6/h16-24,34H,10-15H2,1-9H3"	"OKJSFKIUVDXFMS-UHFFFAOYSA-N"	"?"
"3770"	"71108-13-9"			"CNC(=O)ON=C1SC(=NN(C)C)SC1(C)C"	"InChI=1S/C9H16N4O2S2/c1-9(2)6(12-15-7(14)10-3)16-8(17-9)11-13(4)5/h1-5H3,(H,10,14)"	"VSLVNJZVFZGJAD-UHFFFAOYSA-N"	"?"
"3771"	"86379-46-6"	"Benzamide, N-[[(2,6-difluorophenyl)amino]carbonyl]-2,6-dimethoxy-"	"DTXSID2073693"	"COC1C=CC=C(OC)C=1C(=O)NC(=O)NC1C(F)=CC=CC=1F"	"InChI=1S/C16H14F2N2O4/c1-23-11-7-4-8-12(24-2)13(11)15(21)20-16(22)19-14-9(17)5-3-6-10(14)18/h3-8H,1-2H3,(H2,19,20,21,22)"	"CDDPJKVQPVXRGW-UHFFFAOYSA-N"	"?"
"3772"	"5435-64-3"	"3,5,5-Trimethylhexanal"	"DTXSID6047107"	"CC(CC=O)CC(C)(C)C"	"InChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3"	"WTPYRCJDOZVZON-UHFFFAOYSA-N"	"?"
"3773"	"38205-61-7"	"Thiazole, 5-ethyl-2,4-dimethyl-"	"DTXSID0068076"	"CCC1SC(C)=NC=1C"	"InChI=1S/C7H11NS/c1-4-7-5(2)8-6(3)9-7/h4H2,1-3H3"	"DALUCNUGMDNXET-UHFFFAOYSA-N"	"?"
"3774"	"20262-55-9"	"1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-"	"DTXSID0066585"	"OC(=O)C1C=C2C(=CC=1)C(=O)NC2=O"	"InChI=1S/C9H5NO4/c11-7-5-2-1-4(9(13)14)3-6(5)8(12)10-7/h1-3H,(H,13,14)(H,10,11,12)"	"ARRQNZZBVOIEQQ-UHFFFAOYSA-N"	"?"
"3775"	"100-76-5"	"Quinuclidine"	"DTXSID2057607"	"C1CN2CCC1CC2"	"InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2"	"SBYHFKPVCBCYGV-UHFFFAOYSA-N"	"?"
"3776"	"23311-75-3"	"Benzenesulfonamide, N-[4-diazo-2-[[(2-ethylphenyl)amino]sulfonyl]-2,5-cyclohexadien-1-ylidene]-4-methyl-"	"DTXSID0066874"	"CC1C=CC(=CC=1)S(=O)(=O)N=C1C=CC(C=C1S(=O)(=O)NC1C=CC=CC=1CC)=[N+]=[N-]"	"InChI=1S/C21H20N4O4S2/c1-3-16-6-4-5-7-19(16)24-31(28,29)21-14-17(23-22)10-13-20(21)25-30(26,27)18-11-8-15(2)9-12-18/h4-14,24H,3H2,1-2H3"	"ORKGLYPHVVPLHD-UHFFFAOYSA-N"	"?"
"3777"	"52449-76-0"			"COC(=O)C1C=CC(=CC=1[N+]([O-])=O)C#N"	"InChI=1S/C9H6N2O4/c1-15-9(12)7-3-2-6(5-10)4-8(7)11(13)14/h2-4H,1H3"	"VNJLHPJTOHUNQK-UHFFFAOYSA-N"	"?"
"3778"	"33956-61-5"	"Tetranactin"	"DTXSID1058058"	"CC1C2CCC(CC(CC)OC(=O)C(C)C3CCC(CC(CC)OC(=O)C(C)C4CCC(CC(CC)OC(=O)C(C)C5CCC(CC(CC)OC1=O)O5)O4)O3)O2"	"InChI=1S/C44H72O12/c1-9-29-21-33-13-17-38(49-33)26(6)42(46)54-31(11-3)23-35-15-19-40(51-35)28(8)44(48)56-32(12-4)24-36-16-20-39(52-36)27(7)43(47)55-30(10-2)22-34-14-18-37(50-34)25(5)41(45)53-29/h25-40H,9-24H2,1-8H3"	"NKNPHSJWQZXWIX-UHFFFAOYSA-N"	"?"
"3779"	"31565-38-5"	"Isodecyl stearate"	"DTXSID0067636"	"CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C"	"InChI=1S/C28H56O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28(29)30-26-23-20-17-18-21-24-27(2)3/h27H,4-26H2,1-3H3"	"BCNMHJYHRSTPJY-UHFFFAOYSA-N"	"?"
"3780"	"37069-54-8"	"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-(4-phenyl-2H-1,2,3-triazol-2-yl)-"	"DTXSID0068022"	"OS(=O)(=O)C1C=C(C=CC=1C=CC1C=CC(=CC=1S(O)(=O)=O)N1N=C(C=N1)C1C=CC=CC=1)N1N=C(C=N1)C1C=CC=CC=1"	"InChI=1S/C30H22N6O6S2/c37-43(38,39)29-17-25(35-31-19-27(33-35)21-7-3-1-4-8-21)15-13-23(29)11-12-24-14-16-26(18-30(24)44(40,41)42)36-32-20-28(34-36)22-9-5-2-6-10-22/h1-20H,(H,37,38,39)(H,40,41,42)"	"UXEKKQRJIGKQNP-UHFFFAOYSA-N"	"?"
"3781"	"6482-24-2"	"Ethane, 1-bromo-2-methoxy-"	"DTXSID0064385"	"COCCBr"	"InChI=1S/C3H7BrO/c1-5-3-2-4/h2-3H2,1H3"	"YZUPZGFPHUVJKC-UHFFFAOYSA-N"	"?"
"3782"	"56765-79-8"	"1,2-Benzenedicarbonitrile, 4-amino-"	"DTXSID0069127"	"NC1=CC(C#N)=C(C=C1)C#N"	"InChI=1S/C8H5N3/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,11H2"	"RRCAJFYQXKPXOJ-UHFFFAOYSA-N"	"?"
"3783"	"53460-76-7"			"[O-][N+](=O)C1C=CC(=CC=1)C(=O)NCC(O)CCl"	"InChI=1S/C10H11ClN2O4/c11-5-9(14)6-12-10(15)7-1-3-8(4-2-7)13(16)17/h1-4,9,14H,5-6H2,(H,12,15)"	"HGNMMEVZKKNYKI-UHFFFAOYSA-N"	"?"
"3784"	"52709-85-0"	"[1,1'-Biphenyl]-4-carbonitrile, 4'-nonyl-"	"DTXSID0068787"	"CCCCCCCCCC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"InChI=1S/C22H27N/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(18-23)13-17-22/h10-17H,2-9H2,1H3"	"REDSMJNHKIHBTE-UHFFFAOYSA-N"	"?"
"3785"	"3734-33-6"	"Denatonium benzoate"	"DTXSID8034376"	"CC1C=CC=C(C)C=1NC(=O)C[N+](CC1C=CC=CC=1)(CC)CC"	"InChI=1S/C21H28N2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14H,5-6,15-16H2,1-4H3/p+1"	"ZFQMTVNLDNXRNQ-UHFFFAOYSA-O"	"C1=CC=CC(C([O-])=O)=C1"
"3786"	"69900-72-7"			"CC1CC(=O)C(CC=CCCCC(O)=O)C1C=CC(O)C(C)(C)CCCC"	"InChI=1S/C23H38O4/c1-5-6-15-23(3,4)21(25)14-13-18-17(2)16-20(24)19(18)11-9-7-8-10-12-22(26)27/h7,9,13-14,17-19,21,25H,5-6,8,10-12,15-16H2,1-4H3,(H,26,27)"	"OOAHNJDZICJECC-UHFFFAOYSA-N"	"?"
"3787"	"41233-93-6"	"2-Butanol, 2-methyl-, potassium salt"	"DTXSID0068288"	"CCC(C)(C)O"	"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3"	"MSXVEPNJUHWQHW-UHFFFAOYSA-N"	"[K+]"
"3788"	"3351-05-1"	"Acid Blue?113"	"DTXSID7044920"	"OS(=O)(=O)C1C=C(C=CC=1)N=NC1=CC=C(N=NC2=CC=C(NC3C=CC=CC=3)C3C(=CC=CC2=3)S(O)(=O)=O)C2C=CC=CC=21"	"InChI=1S/C32H23N5O6S2/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43/h1-20,33H,(H,38,39,40)(H,41,42,43)"	"DJRZPZBRKRAGBD-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3789"	"17696-94-5"	"Hydrazinecarboxylic acid, 2-[(phenylamino)carbonyl]-, ethyl ester"	"DTXSID0066248"	"CCOC(=O)NNC(=O)NC1C=CC=CC=1"	"InChI=1S/C10H13N3O3/c1-2-16-10(15)13-12-9(14)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,13,15)(H2,11,12,14)"	"ZNRQNLRWXBDXBE-UHFFFAOYSA-N"	"?"
"3790"	"103577-45-3"	"Lansoprazole"	"DTXSID4023200"	"CC1=C(C=CN=C1CS(=O)C1NC2C=CC=CC=2N=1)OCC(F)(F)F"	"InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)"	"MJIHNNLFOKEZEW-UHFFFAOYSA-N"	"?"
"3791"	"106-70-7"	"Methyl hexanoate"	"DTXSID0047616"	"CCCCCC(=O)OC"	"InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3"	"NUKZAGXMHTUAFE-UHFFFAOYSA-N"	"?"
"3792"	"13616-83-6"	"Disulfide, bis(2,4-dimethylphenyl)"	"DTXSID0065561"	"CC1=CC(C)=C(C=C1)SSC1C=CC(C)=CC=1C"	"InChI=1S/C16H18S2/c1-11-5-7-15(13(3)9-11)17-18-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3"	"RPYHJOQRKNEXCU-UHFFFAOYSA-N"	"?"
"3793"	"77-93-0"	"Triethyl citrate"	"DTXSID0040701"	"CCOC(=O)C(O)(CC(=O)OCC)CC(=O)OCC"	"InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3"	"DOOTYTYQINUNNV-UHFFFAOYSA-N"	"?"
"3794"	"20485-39-6"	"Ethyl 4-methyloxazole-5-carboxylate"	"DTXSID40174451"	"CC1N=COC=1C(=O)OCC"	"InChI=1S/C7H9NO3/c1-3-10-7(9)6-5(2)8-4-11-6/h4H,3H2,1-2H3"	"XNMORZSEENWFLI-UHFFFAOYSA-N"	"?"
"3795"	"68278-23-9"			"NCCCC(N)(C(F)F)C(O)=O"	"InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)"	"VLCYCQAOQCDTCN-UHFFFAOYSA-N"	"O.Cl"
"3796"	"29911-27-1"	"Butyl dipropasol solvent"	"DTXSID3033276"	"CCCOCC(C)OCC(C)O"	"InChI=1S/C9H20O3/c1-4-5-11-7-9(3)12-6-8(2)10/h8-10H,4-7H2,1-3H3"	"WEZPLQKRXDBPEP-UHFFFAOYSA-N"	"?"
"3797"	"1719-53-5"	"Diethyldichlorosilane"	"DTXSID3025043"	"CC[Si](Cl)(Cl)CC"	"InChI=1S/C4H10Cl2Si/c1-3-7(5,6)4-2/h3-4H2,1-2H3"	"BYLOHCRAPOSXLY-UHFFFAOYSA-N"	"?"
"3798"	"64118-84-9"	"4'-Hydroxydiclofenac"	"DTXSID40214326"	"OC1C=C(Cl)C(NC2=CC=CC=C2CC(O)=O)=C(Cl)C=1"	"InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)"	"KGVXVPRLBMWZLG-UHFFFAOYSA-N"	"?"
"3799"	"13523-86-9"	"Pindolol"	"DTXSID8023476"	"CC(C)NCC(O)COC1=CC=CC2NC=CC1=2"	"InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3"	"JZQKKSLKJUAGIC-UHFFFAOYSA-N"	"?"
"3800"	"6471-50-7"	"2-Naphthalenecarboxamide, 4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-N-(2-methylphenyl)-"	"DTXSID0064381"	"CC1C=CC=CC=1NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=CC(Cl)=CC=2[N+]([O-])=O)C=1O"	"InChI=1S/C24H17ClN4O4/c1-14-6-2-5-9-19(14)26-24(31)18-12-15-7-3-4-8-17(15)22(23(18)30)28-27-20-11-10-16(25)13-21(20)29(32)33/h2-13,30H,1H3,(H,26,31)"	"WXHYPQWKGYEJKW-UHFFFAOYSA-N"	"?"
"3801"	"15990-43-9"	"Pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt"	"DTXSID0065989"	"[O-]C(=O)C1C=CC=[N+](CC2C=CC=CC=2)C=1"	"InChI=1S/C13H11NO2/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2"	"AVWFAACIXBQMBF-UHFFFAOYSA-N"	"?"
"3802"	"41510-23-0"			"O=C(CCCN1CC2CC3C4C=CC=CC=4NC=3CN2CC1)C1C=CC(F)=CC=1"	"InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2"	"YCNCIZWAGQTWBI-UHFFFAOYSA-N"	"?"
"3803"	"3740-52-1"	"2-Nitrophenylacetic acid"	"DTXSID0063157"	"[O-][N+](=O)C1C=CC=CC=1CC(O)=O"	"InChI=1S/C8H7NO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)"	"WMUZDBZPDLHUMW-UHFFFAOYSA-N"	"?"
"3804"	"50765-72-5"			"CC(C)=CCC(CCN(C)CC)(C#N)C1C=CC=C2C=CC=CC2=1"	"InChI=1S/C22H28N2/c1-5-24(4)16-15-22(17-23,14-13-18(2)3)21-12-8-10-19-9-6-7-11-20(19)21/h6-13H,5,14-16H2,1-4H3"	"QQPIEKBXNDZETN-UHFFFAOYSA-N"	"[Cl-]"
"3805"	"25655-41-8"	"Betadine"	"DTXSID8035712"	"C=CN1CCCC1=O"	"InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2"	"WHNWPMSKXPGLAX-UHFFFAOYSA-N"	"II"
"3806"	"3871-82-7"			"CC1C=CC(=CC=1)C1(O)CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1"	"InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3"	"AGAHNABIDCTLHW-UHFFFAOYSA-N"	"Cl"
"3807"	"60644-91-9"	"1H-Benz[f]indene-1,3(2H)-dione, 5,6,7,8-tetrabromo-2-(3-hydroxy-2-quinolinyl)-"	"DTXSID0069418"	"OC1C=C2C=CC=CC2=NC=1C1C(=O)C2C=C3C(=CC=2C1=O)C(Br)=C(Br)C(Br)=C3Br"	"InChI=1S/C22H9Br4NO3/c23-16-9-6-11-12(7-10(9)17(24)19(26)18(16)25)22(30)15(21(11)29)20-14(28)5-8-3-1-2-4-13(8)27-20/h1-7,15,28H"	"XQJAONCBMFGBCC-UHFFFAOYSA-N"	"?"
"3808"	"88-45-9"	"Benzenesulfonic acid, 2,5-diamino-"	"DTXSID7058969"	"NC1=CC(=C(N)C=C1)S(O)(=O)=O"	"InChI=1S/C6H8N2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)"	"HEAHMJLHQCESBZ-UHFFFAOYSA-N"	"?"
"3809"	"10109-95-2"	"2,5-Dianilinoterephthalic acid"	"DTXSID7064948"	"OC(=O)C1C=C(NC2C=CC=CC=2)C(=CC=1NC1C=CC=CC=1)C(O)=O"	"InChI=1S/C20H16N2O4/c23-19(24)15-12-18(22-14-9-5-2-6-10-14)16(20(25)26)11-17(15)21-13-7-3-1-4-8-13/h1-12,21-22H,(H,23,24)(H,25,26)"	"ZJQZWNLKRBUEKX-UHFFFAOYSA-N"	"?"
"3810"	"52947-35-0"			"CCOC(=N)C1SC2C=CC=CC=2C1=O"	"InChI=1S/C11H11NO2S/c1-2-14-11(12)10-9(13)7-5-3-4-6-8(7)15-10/h3-6,10,12H,2H2,1H3"	"UGMGCRYHOMZJNM-UHFFFAOYSA-N"	"?"
"3811"	"22019-64-3"	"Benzenesulfonamide, 4-methyl-N-(4-nitrophenyl)-N-(phenylmethyl)-"	"DTXSID0066749"	"CC1C=CC(=CC=1)S(=O)(=O)N(CC1C=CC=CC=1)C1C=CC(=CC=1)[N+]([O-])=O"	"InChI=1S/C20H18N2O4S/c1-16-7-13-20(14-8-16)27(25,26)21(15-17-5-3-2-4-6-17)18-9-11-19(12-10-18)22(23)24/h2-14H,15H2,1H3"	"VWPDFYRRQUHOKR-UHFFFAOYSA-N"	"?"
"3812"	"1248-42-6"	"Pitofenone hydrochloride"	"DTXSID7046461"	"COC(=O)C1=CC=CC=C1C(=O)C1=CC=C(C=C1)OCCN1CCCCC1"	"InChI=1S/C22H25NO4/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3"	"NZHMAQSCHUSSSJ-UHFFFAOYSA-N"	"Cl"
"3813"	"33426-70-9"	"4-Pentoxytoluene"	"DTXSID0067765"	"CC1C=CC(=CC=1)OCCCCC"	"InChI=1S/C12H18O/c1-3-4-5-10-13-12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3"	"QWSTVRJDZCXFKN-UHFFFAOYSA-N"	"?"
"3814"	"814-49-3"	"Diethyl phosphorochloridate"	"DTXSID4052556"	"CCOP(=O)(Cl)OCC"	"InChI=1S/C4H10ClO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3"	"LGTLXDJOAJDFLR-UHFFFAOYSA-N"	"?"
"3815"	"3564-22-5"	"2-Naphthalenecarboxamide, 3-hydroxy-4-[(4-methyl-2-nitrophenyl)azo]-N-(3-nitrophenyl)-"	"DTXSID0063076"	"CC1=CC(=C(C=C1)N=NC1C(O)=C(C=C2C=CC=CC2=1)C(=O)NC1C=C(C=CC=1)[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C24H17N5O6/c1-14-9-10-20(21(11-14)29(34)35)26-27-22-18-8-3-2-5-15(18)12-19(23(22)30)24(31)25-16-6-4-7-17(13-16)28(32)33/h2-13,30H,1H3,(H,25,31)"	"MCSXGCZMEPXKIW-UHFFFAOYSA-N"	"?"
"3816"	"15103-99-8"	"Hypophosphoric acid, tetramethyl ester"	"DTXSID0065858"	"COP(=O)(OC)P(=O)(OC)OC"	"InChI=1S/C4H12O6P2/c1-7-11(5,8-2)12(6,9-3)10-4/h1-4H3"	"LWASJEZSIVAZJX-UHFFFAOYSA-N"	"?"
"3817"	"19059-68-8"	"1-Propanol, 3-(dimethylamino)-2,2-dimethyl-"	"DTXSID0066452"	"CN(C)CC(C)(C)CO"	"InChI=1S/C7H17NO/c1-7(2,6-9)5-8(3)4/h9H,5-6H2,1-4H3"	"PYEWZDAEJUUIJX-UHFFFAOYSA-N"	"?"
"3818"	"55034-69-0"	"Hydrazine, (2-chloro-4,6-dimethylphenyl)-"	"DTXSID0068993"	"CC1C=C(Cl)C(NN)=C(C)C=1"	"InChI=1S/C8H11ClN2/c1-5-3-6(2)8(11-10)7(9)4-5/h3-4,11H,10H2,1-2H3"	"UVEBHBUGJCCFRD-UHFFFAOYSA-N"	"?"
"3819"	"27919-85-3"	"1,3-Benzenediamine, N,N,N',N'-tetrakis(phenylmethyl)-"	"DTXSID0067349"	"C(C1C=CC=CC=1)N(CC1C=CC=CC=1)C1C=C(C=CC=1)N(CC1C=CC=CC=1)CC1C=CC=CC=1"	"InChI=1S/C34H32N2/c1-5-14-29(15-6-1)25-35(26-30-16-7-2-8-17-30)33-22-13-23-34(24-33)36(27-31-18-9-3-10-19-31)28-32-20-11-4-12-21-32/h1-24H,25-28H2"	"HCFYTOYUYYYOPD-UHFFFAOYSA-N"	"?"
"3820"	"37349-04-5"	"1H-Imidazole-1-ethanamine, 4,5-dihydro-2-isoheptadecyl-"	"DTXSID0068026"	"CC(C)CCCCCCCCCCCCCCC1=NCCN1CCN"	"InChI=1S/C22H45N3/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-24-18-20-25(22)19-17-23/h21H,3-20,23H2,1-2H3"	"JQVMXZAQBAJMBM-UHFFFAOYSA-N"	"?"
"3821"	"26519-91-5"	"1,3-Cyclopentadiene, methyl-"	"DTXSID0067216"	"CC1CC=CC=1"	"InChI=1S/C6H8/c1-6-4-2-3-5-6/h2-4H,5H2,1H3"	"NFWSQSCIDYBUOU-UHFFFAOYSA-N"	"?"
"3822"	"190442-10-5"			"CC(=O)OC1C=CC=CC=1C(=O)OC1C=CC=C(CO[N+]([O-])=O)C=1"	"InChI=1S/C16H13NO7/c1-11(18)23-15-8-3-2-7-14(15)16(19)24-13-6-4-5-12(9-13)10-22-17(20)21/h2-9H,10H2,1H3"	"IOJUJUOXKXMJNF-UHFFFAOYSA-N"	"?"
"3823"	"5421-99-8"	"1,3-Dioxane, 2,5,5-trimethyl-2-propyl-"	"DTXSID0063862"	"CC1(C)COC(C)(CCC)OC1"	"InChI=1S/C10H20O2/c1-5-6-10(4)11-7-9(2,3)8-12-10/h5-8H2,1-4H3"	"YVIHJMSLCZGXLX-UHFFFAOYSA-N"	"?"
"3824"	"3564-14-5"	"C.I. Mordant Black 3 monosodium salt"	"DTXSID0063074"	"OC1C(=CC=C2C=CC=CC=12)N=NC1C2=CC=CC=C2C(=CC=1O)S(O)(=O)=O"	"InChI=1S/C20H14N2O5S/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24/h1-11,23-24H,(H,25,26,27)"	"BRDGZOLJYALNOY-UHFFFAOYSA-N"	"[Na+]"
"3825"	"24147-49-7"	"4(5H)-Thiazolone, 2-(diphenylamino)-"	"DTXSID0066959"	"O=C1CSC(=N1)N(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C15H12N2OS/c18-14-11-19-15(16-14)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2"	"YIQJSUMQWQJBBG-UHFFFAOYSA-N"	"?"
"3826"	"25537-46-6"			"CC1C=C(N=C(N=1)SCC)OP(=O)(CC)OCC"	"InChI=1S/C11H19N2O3PS/c1-5-15-17(14,6-2)16-10-8-9(4)12-11(13-10)18-7-3/h8H,5-7H2,1-4H3"	"VILCCVHHUUHGNG-UHFFFAOYSA-N"	"?"
"3827"	"13997-95-0"	"Carbonimidodithioic acid, cyano-, di-2-propenyl ester"	"DTXSID0065690"	"C=CCSC(=NC#N)SCC=C"	"InChI=1S/C8H10N2S2/c1-3-5-11-8(10-7-9)12-6-4-2/h3-4H,1-2,5-6H2"	"ITZIFGHDBMXDGN-UHFFFAOYSA-N"	"?"
"3828"	"5356-83-2"	"Silane, ethenylethoxydimethyl-"	"DTXSID0063812"	"CCO[Si](C)(C)C=C"	"InChI=1S/C6H14OSi/c1-5-7-8(3,4)6-2/h6H,2,5H2,1,3-4H3"	"JEWCZPTVOYXPGG-UHFFFAOYSA-N"	"?"
"3829"	"544-76-3"	"Hexadecane"	"DTXSID0027195"	"CCCCCCCCCCCCCCCC"	"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3"	"DCAYPVUWAIABOU-UHFFFAOYSA-N"	"?"
"3830"	"26850-24-8"	"2,4-Imidazolidinedione, 1,3-bis(2-hydroxyethyl)-5,5-dimethyl-"	"DTXSID0067260"	"CC1(C)C(=O)N(CCO)C(=O)N1CCO"	"InChI=1S/C9H16N2O4/c1-9(2)7(14)10(3-5-12)8(15)11(9)4-6-13/h12-13H,3-6H2,1-2H3"	"ATIAIEWDRRJGSL-UHFFFAOYSA-N"	"?"
"3831"	"32438-31-6"	"Benzene, (2,2-diethoxyethoxy)-"	"DTXSID0067682"	"CCOC(COC1C=CC=CC=1)OCC"	"InChI=1S/C12H18O3/c1-3-13-12(14-4-2)10-15-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3"	"IISGAJPGMKEIAZ-UHFFFAOYSA-N"	"?"
"3832"	"57303-68-1"	"1H-Indole, 2-[[(4-ethoxyphenyl)azo]methylene]-2,3-dihydro-1,3,3-trimethyl-"	"DTXSID0069173"	"CCOC1C=CC(=CC=1)N=NC=C1N(C)C2C=CC=CC=2C1(C)C"	"InChI=1S/C20H23N3O/c1-5-24-16-12-10-15(11-13-16)22-21-14-19-20(2,3)17-8-6-7-9-18(17)23(19)4/h6-14H,5H2,1-4H3"	"LOAGDQRAMKGXBH-UHFFFAOYSA-N"	"?"
"3833"	"139087-70-0"	"Dicyclopropyloketoxime diethylphosphoric acid ester"	"DTXSID40160899"	"CCOP(=O)(ON=C(C1CC1)C1CC1)OCC"	"InChI=1S/C11H20NO4P/c1-3-14-17(13,15-4-2)16-12-11(9-5-6-9)10-7-8-10/h9-10H,3-8H2,1-2H3"	"NHURCWNOSBBLTG-UHFFFAOYSA-N"	"?"
"3834"	"116337-73-6"	"2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-7-(1-oxobutyl)-"	"DTXSID20151366"	"CCCC(=O)C1=CC2OCC(=O)N(C)C=2C=C1"	"InChI=1S/C13H15NO3/c1-3-4-11(15)9-5-6-10-12(7-9)17-8-13(16)14(10)2/h5-7H,3-4,8H2,1-2H3"	"UQLUXLRYULISKR-UHFFFAOYSA-N"	"?"
"3835"	"14199-15-6"	"Benzeneacetic acid, 4-hydroxy-, methyl ester"	"DTXSID0065725"	"COC(=O)CC1C=CC(O)=CC=1"	"InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3"	"XGDZEDRBLVIUMX-UHFFFAOYSA-N"	"?"
"3836"	"117666-92-9"	"1,3-Benzodioxole-5-carbothioic acid, O-ethyl ester"	"DTXSID40151863"	"CCOC(=S)C1C=CC2OCOC=2C=1"	"InChI=1S/C10H10O3S/c1-2-11-10(14)7-3-4-8-9(5-7)13-6-12-8/h3-5H,2,6H2,1H3"	"UHYLUZHRHCRMFH-UHFFFAOYSA-N"	"?"
"3837"	"20153-98-4"			"COC1C=C(C=C(OC)C=1OC)C(=O)OCCCN1CCN(CCC1)CCCOC(=O)C1=CC(OC)=C(OC)C(=C1)OC"	"InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3"	"QVZCXCJXTMIDME-UHFFFAOYSA-N"	"?"
"3838"	"69327-76-0"	"Buprofezin"	"DTXSID8034401"	"CC(C)N1C(=O)N(CSC1=NC(C)(C)C)C1C=CC=CC=1"	"InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3"	"PRLVTUNWOQKEAI-UHFFFAOYSA-N"	"?"
"3839"	"14691-88-4"	"1-Piperidinyloxy, 4-amino-2,2,6,6-tetramethyl-"	"DTXSID0065808"	"CC1(C)CC(N)CC(C)(C)N1O"	"InChI=1S/C9H20N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7,12H,5-6,10H2,1-4H3"	"AYSOUYKQIUYGFR-UHFFFAOYSA-N"	"?"
"3840"	"14476-30-3"	"Propane, 1,2,2-tribromo-"	"DTXSID0065775"	"CC(Br)(Br)CBr"	"InChI=1S/C3H5Br3/c1-3(5,6)2-4/h2H2,1H3"	"IELJYJRPJJILHQ-UHFFFAOYSA-N"	"?"
"3841"	"51356-05-9"	"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-3(2H)-pyridazinone"	"DTXSID50199352"	"COP(=S)(OC)SCN1N=CC=CC1=O"	"InChI=1S/C7H11N2O3PS2/c1-11-13(14,12-2)15-6-9-7(10)4-3-5-8-9/h3-5H,6H2,1-2H3"	"RLGBRCXTWVJQHJ-UHFFFAOYSA-N"	"?"
"3842"	"17099-81-9"	"Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, hydrogen (1:1), (OC-6-21)-"	"DTXSID0066163"	"OC(=O)CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)"	"KCXVZYZYPLLWCC-UHFFFAOYSA-N"	"[Fe+3]"
"3843"	"82875-40-9"	"5-Thiazolecarboxamide, 2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-"	"DTXSID20232048"	"CC1N=C(SC=1C(=O)NCCC)C1C=C(OC)C(=CC=1)OC"	"InChI=1S/C16H20N2O3S/c1-5-8-17-15(19)14-10(2)18-16(22-14)11-6-7-12(20-3)13(9-11)21-4/h6-7,9H,5,8H2,1-4H3,(H,17,19)"	"LWLNFNPLZXYXMZ-UHFFFAOYSA-N"	"?"
"3844"	"50261-59-1"	"Pentanoic acid, 4-[[[4-[[(pentyloxy)carbonyl]oxy]phenyl]imino]methyl]phenyl ester"	"DTXSID0068525"	"CCCCCOC(=O)OC1C=CC(=CC=1)N=CC1C=CC(=CC=1)OC(=O)CCCC"	"InChI=1S/C24H29NO5/c1-3-5-7-17-28-24(27)30-22-15-11-20(12-16-22)25-18-19-9-13-21(14-10-19)29-23(26)8-6-4-2/h9-16,18H,3-8,17H2,1-2H3"	"AMHOXZKEIVGXFJ-UHFFFAOYSA-N"	"?"
"3845"	"1085-34-3"			"CCCOP(C)(=S)OC1=CC=C(C=C1)[N+]([O-])=O"	"InChI=1S/C10H14NO4PS/c1-3-8-14-16(2,17)15-10-6-4-9(5-7-10)11(12)13/h4-7H,3,8H2,1-2H3"	"CUONSTMEQBVTLL-UHFFFAOYSA-N"	"?"
"3846"	"6258-73-7"	"Benzene, 1,1'-(1,3,3-trimethyl-1-propene-1,3-diyl)bis-"	"DTXSID0064171"	"CC(=CC(C)(C)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C18H20/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-14H,1-3H3"	"VOOVDZMAQQVAEW-UHFFFAOYSA-N"	"?"
"3847"	"16722-32-0"	"Benzenesulfonic acid, 4-hexadecyl-"	"DTXSID0066111"	"CCCCCCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O"	"InChI=1S/C22H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(20-18-21)26(23,24)25/h17-20H,2-16H2,1H3,(H,23,24,25)"	"KJORMGGHDPSQSX-UHFFFAOYSA-N"	"?"
"3848"	"33399-48-3"	"Pyridine, 4-(phenylthio)-"	"DTXSID0067763"	"C1=CC=CC=C1SC1C=CN=CC=1"	"InChI=1S/C11H9NS/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-9H"	"SIXGMZJXZNKUIN-UHFFFAOYSA-N"	"?"
"3849"	"824-78-2"	"Sodium 4-nitrophenolate"	"DTXSID3027320"	"[O-][N+](=O)C1C=CC(O)=CC=1"	"InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H"	"BTJIUGUIPKRLHP-UHFFFAOYSA-N"	"[Na+]"
"3850"	"5205-10-7"	"Heptanoic acid, 3-methyl-2-butenyl ester"	"DTXSID0063737"	"CC(C)=CCOC(=O)CCCCCC"	"InChI=1S/C12H22O2/c1-4-5-6-7-8-12(13)14-10-9-11(2)3/h9H,4-8,10H2,1-3H3"	"KRSMRYMDTIADOD-UHFFFAOYSA-N"	"?"
"3851"	"15968-05-5"	"2,2',6,6'-Tetrachlorobiphenyl"	"DTXSID0065983"	"ClC1C=CC=C(Cl)C=1C1C(Cl)=CC=CC=1Cl"	"InChI=1S/C12H6Cl4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H"	"PXAGFNRKXSYIHU-UHFFFAOYSA-N"	"?"
"3852"	"56670-24-7"	"2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[[4-[[[4-[(4-hydroxyphenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-"	"DTXSID0069121"	"NC1=CC=C2C=C(C=C(O)C2=C1N=NC1C=CC(=CC=1)C(=O)NC1C=CC(=CC=1)N=NC1C=CC(O)=CC=1)S(O)(=O)=O"	"InChI=1S/C29H22N6O6S/c30-25-14-3-18-15-24(42(39,40)41)16-26(37)27(18)28(25)35-34-20-4-1-17(2-5-20)29(38)31-19-6-8-21(9-7-19)32-33-22-10-12-23(36)13-11-22/h1-16,36-37H,30H2,(H,31,38)(H,39,40,41)"	"OOVIVLRCIYZYTO-UHFFFAOYSA-N"	"?"
"3853"	"28983-26-8"	"Phenol, 2-isononyl-4-methyl-"	"DTXSID0067426"	"CC1C=CC(O)=C(CCCCCCC(C)C)C=1"	"InChI=1S/C16H26O/c1-13(2)8-6-4-5-7-9-15-12-14(3)10-11-16(15)17/h10-13,17H,4-9H2,1-3H3"	"ODLQBYYWVWMCQA-UHFFFAOYSA-N"	"?"
"3854"	"56358-42-0"	"2-Naphthalenecarboxamide, N,N'-1,5-naphthalenediylbis[4-[(3-chloro-2-methylphenyl)azo]-3-hydroxy-"	"DTXSID0069096"	"CC1=C(C=CC=C1Cl)N=NC1=C2C=CC=CC2=CC(C(=O)NC2=CC=CC3C2=CC=CC=3NC(=O)C2C=C3C=CC=CC3=C(N=NC3C=CC=C(Cl)C=3C)C=2O)=C1O"	"InChI=1S/C46H32Cl2N6O4/c1-25-35(47)17-9-19-37(25)51-53-41-29-13-5-3-11-27(29)23-33(43(41)55)45(57)49-39-21-7-16-32-31(39)15-8-22-40(32)50-46(58)34-24-28-12-4-6-14-30(28)42(44(34)56)54-52-38-20-10-18-36(48)26(38)2/h3-24,55-56H,1-2H3,(H,49,57)(H,50,58)"	"CDUQTTHCTBEGKX-UHFFFAOYSA-N"	"?"
"3855"	"22791-18-0"	"Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate"	"DTXSID50177332"	"CNC(=O)OC1=CC=CC2OC3(CCCCC3)OC=21"	"InChI=1S/C14H17NO4/c1-15-13(16)17-10-6-5-7-11-12(10)19-14(18-11)8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3,(H,15,16)"	"IYYOBPXUABEUJR-UHFFFAOYSA-N"	"?"
"3856"	"26485-73-4"	"3,5-Pyrazolidinedione, 4-benzyl-1,2-diphenyl-"	"DTXSID30181078"	"O=C1C(CC2C=CC=CC=2)C(=O)N(C2C=CC=CC=2)N1C1C=CC=CC=1"	"InChI=1S/C22H18N2O2/c25-21-20(16-17-10-4-1-5-11-17)22(26)24(19-14-8-3-9-15-19)23(21)18-12-6-2-7-13-18/h1-15,20H,16H2"	"GSTJUQAYAGGXPJ-UHFFFAOYSA-N"	"?"
"3857"	"22009-37-6"	"1(2H)-Naphthalenone, 3,4-dihydro-7-methyl-"	"DTXSID0066747"	"CC1C=CC2CCCC(=O)C=2C=1"	"InChI=1S/C11H12O/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h5-7H,2-4H2,1H3"	"GGMYZZBVIWUXEC-UHFFFAOYSA-N"	"?"
"3858"	"109713-79-3"			"CC(O)CC(=O)N1CCN(CC1)C1=NC2C=C(OC)C(=CC=2C(N)=N1)OC"	"InChI=1S/C18H25N5O4/c1-11(24)8-16(25)22-4-6-23(7-5-22)18-20-13-10-15(27-3)14(26-2)9-12(13)17(19)21-18/h9-11,24H,4-8H2,1-3H3,(H2,19,20,21)"	"IOSMPEJNAQZKJT-UHFFFAOYSA-N"	"?"
"3859"	"94593-91-6"	"Cinosulfuron"	"DTXSID5058220"	"COCCOC1=CC=CC=C1S(=O)(=O)/N=C(\O)/N=C1N=C(NC(=N1)OC)OC"	"InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21)"	"WMLPCIHUFDKWJU-UHFFFAOYSA-N"	"?"
"3860"	"6472-50-0"	"[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[(2-hydroxy-1-naphthalenyl)azo]-5,5'-dimethyl-, disodium salt"	"DTXSID0064383"	"CC1=CC(C2C=C(C)C(=CC=2S(O)(=O)=O)N=NC2C3C=CC=CC=3C=CC=2O)=C(C=C1N=NC1C2=CC=CC=C2C=CC=1O)S(O)(=O)=O"	"InChI=1S/C34H26N4O8S2/c1-19-15-25(31(47(41,42)43)17-27(19)35-37-33-23-9-5-3-7-21(23)11-13-29(33)39)26-16-20(2)28(18-32(26)48(44,45)46)36-38-34-24-10-6-4-8-22(24)12-14-30(34)40/h3-18,39-40H,1-2H3,(H,41,42,43)(H,44,45,46)"	"FXFZHRKQNSIMHN-UHFFFAOYSA-N"	"[Na+].[Na+]"
"3861"	"16737-83-0"	"1,3-Benzenediol, 4-methyl-5-pentadecyl-"	"DTXSID0066115"	"CC1C(CCCCCCCCCCCCCCC)=CC(O)=CC=1O"	"InChI=1S/C22H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)18-22(24)19(20)2/h17-18,23-24H,3-16H2,1-2H3"	"CRYTZHPAQMYMOJ-UHFFFAOYSA-N"	"?"
"3862"	"60628-17-3"	"Diphenyl tridecyl phosphite"	"DTXSID0069414"	"CCCCCCCCCCCCCOP(OC1C=CC=CC=1)OC1C=CC=CC=1"	"InChI=1S/C25H37O3P/c1-2-3-4-5-6-7-8-9-10-11-18-23-26-29(27-24-19-14-12-15-20-24)28-25-21-16-13-17-22-25/h12-17,19-22H,2-11,18,23H2,1H3"	"OGVJEUDMQQIAPV-UHFFFAOYSA-N"	"?"
"3863"	"20452-51-1"	"Propanedioic acid, [(2,5-dimethoxyphenyl)methyl]-, diethyl ester"	"DTXSID0066616"	"COC1C=CC(=CC=1CC(C(=O)OCC)C(=O)OCC)OC"	"InChI=1S/C16H22O6/c1-5-21-15(17)13(16(18)22-6-2)10-11-9-12(19-3)7-8-14(11)20-4/h7-9,13H,5-6,10H2,1-4H3"	"HJUFGOPKAMIEDJ-UHFFFAOYSA-N"	"?"
"3864"	"99-62-7"	"1,3-Diisopropylbenzene"	"DTXSID8026640"	"CC(C)C1C=C(C=CC=1)C(C)C"	"InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3"	"UNEATYXSUBPPKP-UHFFFAOYSA-N"	"?"
"3865"	"49763-66-8"	"Benzaldehyde, 4-octyl-"	"DTXSID0068521"	"CCCCCCCCC1=CC=C(C=O)C=C1"	"InChI=1S/C15H22O/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h9-13H,2-8H2,1H3"	"IHKVZPVHTKOSLW-UHFFFAOYSA-N"	"?"
"3866"	"113702-02-6"			"CC(C)(C)N1C=C2CC3N(C)CC(CO)CC3(OC)C3=CC=CC1=C32"	"InChI=1S/C21H30N2O2/c1-20(2,3)23-12-15-9-18-21(25-5,10-14(13-24)11-22(18)4)16-7-6-8-17(23)19(15)16/h6-8,12,14,18,24H,9-11,13H2,1-5H3"	"KETJBQNQBMTLIF-UHFFFAOYSA-N"	"?"
"3867"	"18435-45-5"	"1-Nonadecene"	"DTXSID0066377"	"CCCCCCCCCCCCCCCCCC=C"	"InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3"	"NHLUYCJZUXOUBX-UHFFFAOYSA-N"	"?"
"3868"	"52301-18-5"	"Silane, tris[(1-methylethenyl)oxy]phenyl-"	"DTXSID0068733"	"CC(=C)O[Si](OC(C)=C)(OC(C)=C)C1C=CC=CC=1"	"InChI=1S/C15H20O3Si/c1-12(2)16-19(17-13(3)4,18-14(5)6)15-10-8-7-9-11-15/h7-11H,1,3,5H2,2,4,6H3"	"XGIZTLFJCDBRDD-UHFFFAOYSA-N"	"?"
"3869"	"91893-34-4"	"Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N,N-diethyl-"	"DTXSID90238734"	"CCN(CC)S(=O)(=O)CCNC(=O)N(CCCl)N=O"	"InChI=1S/C9H19ClN4O4S/c1-3-13(4-2)19(17,18)8-6-11-9(15)14(12-16)7-5-10/h3-8H2,1-2H3,(H,11,15)"	"VQKCEDDRDIQHGP-UHFFFAOYSA-N"	"?"
"3870"	"28505-89-7"	"Acetamide, N-[3-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]-"	"DTXSID0067393"	"CC(=O)OCCN(CCC#N)C1=CC(=CC=C1)NC(C)=O"	"InChI=1S/C15H19N3O3/c1-12(19)17-14-5-3-6-15(11-14)18(8-4-7-16)9-10-21-13(2)20/h3,5-6,11H,4,8-10H2,1-2H3,(H,17,19)"	"LLFYBLBUVUYAQU-UHFFFAOYSA-N"	"?"
"3871"	"96128-90-4"			"CC(C)CC1C=CC(=CC=1)C(C)C(=O)OCCN1CCN(CC1)C1=CC(Cl)=CC=C1"	"InChI=1S/C25H33ClN2O2/c1-19(2)17-21-7-9-22(10-8-21)20(3)25(29)30-16-15-27-11-13-28(14-12-27)24-6-4-5-23(26)18-24/h4-10,18-20H,11-17H2,1-3H3"	"JFGXBHHLHQAGRR-UHFFFAOYSA-N"	"?"
"3872"	"5202-78-8"	"Acetamide, N-ethenyl-"	"DTXSID0063735"	"CC=NC(C)=O"	"InChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1-2H3"	"GIBNSWPQESNKRG-UHFFFAOYSA-N"	"?"
"3873"	"15096-02-3"	"1H-Pyrazole-3-carboxylic acid, 4-hydroxy-1-phenyl-5-(phenylazo)-, ethyl ester"	"DTXSID0065856"	"CCOC(=O)C1=NN(C(N=NC2C=CC=CC=2)=C1O)C1C=CC=CC=1"	"InChI=1S/C18H16N4O3/c1-2-25-18(24)15-16(23)17(20-19-13-9-5-3-6-10-13)22(21-15)14-11-7-4-8-12-14/h3-12,23H,2H2,1H3"	"OWYTYDUDULWGQR-UHFFFAOYSA-N"	"?"
"3874"	"5522-63-4"	"Coproporphyrin III tetramethyl ester"	"DTXSID0063943"	"CC1C2=CC3=NC(=CC4NC(C=C5N=C(C=C(N2)C=1CCC(=O)OC)C(CCC(=O)OC)=C5C)=C(C)C=4CCC(=O)OC)C(C)=C3CCC(=O)OC |c:6,11,15,t:2|"	"InChI=1S/C40H46N4O8/c1-21-25(9-13-37(45)49-5)33-18-31-23(3)26(10-14-38(46)50-6)34(43-31)19-32-24(4)28(12-16-40(48)52-8)36(44-32)20-35-27(11-15-39(47)51-7)22(2)30(42-35)17-29(21)41-33/h17-20,41,44H,9-16H2,1-8H3/b29-17?,30-17-,31-18-,32-19-,33-18?,34-19?,35-20?,36-20-"	"LBHYIBKOOKXTGC-IGIPUEBESA-N"	"?"
"3875"	"57781-14-3"	"Halopredone acetate"	"DTXSID30206477"	"CC12CC(O)C3(F)C(CC(F)C4=CC(=O)C(Br)=CC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O"	"InChI=1S/C25H29BrF2O7/c1-12(29)34-11-21(33)24(35-13(2)30)6-5-14-15-7-18(27)16-8-19(31)17(26)9-23(16,4)25(15,28)20(32)10-22(14,24)3/h8-9,14-15,18,20,32H,5-7,10-11H2,1-4H3"	"YCISZOVUHXIOFY-UHFFFAOYSA-N"	"?"
"3876"	"4405-18-9"	"1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)-"	"DTXSID0063444"	"C1OC2C=C(C=CC=2O1)C1OCCO1"	"InChI=1S/C10H10O4/c1-2-8-9(14-6-13-8)5-7(1)10-11-3-4-12-10/h1-2,5,10H,3-4,6H2"	"VKRLFWZYZOPSHP-UHFFFAOYSA-N"	"?"
"3877"	"21951-32-6"	"6-Benzothiazolesulfonic acid, 2-amino-"	"DTXSID0066741"	"N=C1NC2=CC=C(C=C2S1)S(O)(=O)=O"	"InChI=1S/C7H6N2O3S2/c8-7-9-5-2-1-4(14(10,11)12)3-6(5)13-7/h1-3H,(H2,8,9)(H,10,11,12)"	"CKAGMVXJHAZUBL-UHFFFAOYSA-N"	"?"
"3878"	"67989-88-2"	"Ethylenediaminetetraacetic acid, diammonium copper salt"	"DTXSID5049609"	"OC(=O)CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O"	"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)"	"KCXVZYZYPLLWCC-UHFFFAOYSA-N"	"[Cu+2].[NH4+].[NH4+]"
"3879"	"105755-07-5"			"CC(C)OC(=O)C(CCSC)NC(=O)CCSC(=O)C1C=CC=CC=1"	"InChI=1S/C18H25NO4S2/c1-13(2)23-17(21)15(9-11-24-3)19-16(20)10-12-25-18(22)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,19,20)"	"HCNJHUGBMIOFKD-UHFFFAOYSA-N"	"?"
"3880"	"82219-81-6"	"Cefuzonam sodium"	"DTXSID40231634"	"CON=C(C1=CSC(N)=N1)C(=O)NC1C2SCC(CSC3=CN=NS3)=C(C(O)=O)N2C1=O"	"InChI=1S/C16H15N7O5S4/c1-28-21-9(7-5-31-16(17)19-7)12(24)20-10-13(25)23-11(15(26)27)6(4-30-14(10)23)3-29-8-2-18-22-32-8/h2,5,10,14H,3-4H2,1H3,(H2,17,19)(H,20,24)(H,26,27)"	"CXHKZHZLDMQGFF-UHFFFAOYSA-N"	"[Na+]"
"3881"	"60593-02-4"	"Ethanol, 2-(pentabromophenoxy)-"	"DTXSID0069412"	"OCCOC1C(Br)=C(Br)C(Br)=C(Br)C=1Br"	"InChI=1S/C8H5Br5O2/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h14H,1-2H2"	"ZANXWPPILUXIGV-UHFFFAOYSA-N"	"?"
"3882"	"35205-77-7"	"3-Nonenoic acid, 3-methyl-"	"DTXSID0067898"	"CC(CC(O)=O)=CCCCCC"	"InChI=1S/C10H18O2/c1-3-4-5-6-7-9(2)8-10(11)12/h7H,3-6,8H2,1-2H3,(H,11,12)"	"SYQCXVKMCHQJPQ-UHFFFAOYSA-N"	"?"
"3883"	"52463-83-9"	"Pinazepam"	"DTXSID3023475"	"C#CCN1C(=O)CN=C(C2=CC(Cl)=CC=C12)C1C=CC=CC=1"	"InChI=1S/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2"	"MFZOSKPPVCIFMT-UHFFFAOYSA-N"	"?"
"3884"	"112-86-7"	"(13Z)-Docos-13-enoic acid"	"DTXSID8026931"	"CCCCCCCCC=CCCCCCCCCCCCC(O)=O"	"InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)"	"DPUOLQHDNGRHBS-UHFFFAOYSA-N"	"?"
"3885"	"76936-70-4"	"Phosphorothioic acid, O,O-dimethyl S-propyl ester"	"DTXSID10227721"	"CCCSP(=O)(OC)OC"	"InChI=1S/C5H13O3PS/c1-4-5-10-9(6,7-2)8-3/h4-5H2,1-3H3"	"CSKHPKBIXZSVJO-UHFFFAOYSA-N"	"?"
"3886"	"106141-32-6"	"Carbamic chloride, N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-"	"DTXSID40888824"	"CN(C(=O)Cl)C1=NN=C(S1)C(C)(C)C"	"InChI=1S/C8H12ClN3OS/c1-8(2,3)5-10-11-7(14-5)12(4)6(9)13/h1-4H3"	"HBHLQGBZOYCPHE-UHFFFAOYSA-N"	"?"
"3887"	"13464-24-9"	"Phenol, 4,4'-(1,1-dimethyl-3-methylene-1,3-propanediyl)bis-"	"DTXSID0065482"	"CC(C)(CC(=C)C1C=CC(O)=CC=1)C1C=CC(O)=CC=1"	"InChI=1S/C18H20O2/c1-13(14-4-8-16(19)9-5-14)12-18(2,3)15-6-10-17(20)11-7-15/h4-11,19-20H,1,12H2,2-3H3"	"MZLYLGGRVAFGBY-UHFFFAOYSA-N"	"?"
"3888"	"25069-81-2"	"Methyl p-(diphenylamino)cinnamate"	"DTXSID0067050"	"COC(=O)C=CC1C=CC(=CC=1)N(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C22H19NO2/c1-25-22(24)17-14-18-12-15-21(16-13-18)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-17H,1H3"	"BXVLFTQOFFZWCZ-UHFFFAOYSA-N"	"?"
"3889"	"54322-31-5"	"Benzenesulfonic acid, 4-(2-bromoethyl)-"	"DTXSID0068945"	"OS(=O)(=O)C1C=CC(CCBr)=CC=1"	"InChI=1S/C8H9BrO3S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6H2,(H,10,11,12)"	"XRPCDXSRXPQUKT-UHFFFAOYSA-N"	"?"
"3890"	"3634-67-1"	"Silane, chlorotrihexyl-"	"DTXSID0063107"	"CCCCCC[Si](Cl)(CCCCCC)CCCCCC"	"InChI=1S/C18H39ClSi/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3"	"WZQSBCHNVPAYOC-UHFFFAOYSA-N"	"?"
"3891"	"6261-22-9"	"2-Pentyn-1-ol"	"DTXSID0064177"	"CCC#CCO"	"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3"	"WLPYSOCRPHTIDZ-UHFFFAOYSA-N"	"?"
"3892"	"4334-73-0"			"COC1=CC=CC=C1CN=NC(N)=S"	"InChI=1S/C9H11N3OS/c1-13-8-5-3-2-4-7(8)6-11-12-9(10)14/h2-5H,6H2,1H3,(H2,10,14)"	"GKSBAVIGFPRWJS-UHFFFAOYSA-N"	"?"
"3893"	"81936-33-6"			"CCCC1CCC(CC1)C1C=CC(O)=CC=1"	"InChI=1S/C15H22O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8-13,16H,2-7H2,1H3"	"AHAZEMSUUYFDMM-UHFFFAOYSA-N"	"?"
"3894"	"12223-91-5"	"C.I. Disperse Yellow 70"	"DTXSID0065276"	"[O-][N+](=O)C1=CC(=CC=C1NC1C=CC(=CC=1)N=NC1C=C(C(O)=CC=1)C1C=CC=CC=1)[N+]([O-])=O"	"InChI=1S/C24H17N5O5/c30-24-13-10-19(14-21(24)16-4-2-1-3-5-16)27-26-18-8-6-17(7-9-18)25-22-12-11-20(28(31)32)15-23(22)29(33)34/h1-15,25,30H"	"AMVDKIZZWFHBMC-UHFFFAOYSA-N"	"?"
"3895"	"54326-16-8"	"2(1H)-Pyrimidinone, 5-chloro-"	"DTXSID0068947"	"OC1=NC=C(Cl)C=N1"	"InChI=1S/C4H3ClN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)"	"OCSYCDVQABSEPJ-UHFFFAOYSA-N"	"?"
"3896"	"120116-88-3"	"Cyazofamid"	"DTXSID9034492"	"CN(C)S(=O)(=O)N1C(=C(Cl)N=C1C#N)C1C=CC(C)=CC=1"	"InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3"	"YXKMMRDKEKCERS-UHFFFAOYSA-N"	"?"
"3897"	"5332-24-1"	"Quinoline, 3-bromo-"	"DTXSID0063787"	"BrC1C=C2C=CC=CC2=NC=1"	"InChI=1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H"	"ZGIKWINFUGEQEO-UHFFFAOYSA-N"	"?"
"3898"	"88599-38-6"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, ethyl ester"	"DTXSID20237174"	"CCOC(=O)C1=CC(Cl)=CC=C1OC(N)=O"	"InChI=1S/C10H10ClNO4/c1-2-15-9(13)7-5-6(11)3-4-8(7)16-10(12)14/h3-5H,2H2,1H3,(H2,12,14)"	"HZMSXSATHGSRPG-UHFFFAOYSA-N"	"?"
"3899"	"63394-05-8"	"Plafibride"	"DTXSID1023491"	"CC(C)(OC1C=CC(Cl)=CC=1)C(=O)NC(=O)NCN1CCOCC1"	"InChI=1S/C16H22ClN3O4/c1-16(2,24-13-5-3-12(17)4-6-13)14(21)19-15(22)18-11-20-7-9-23-10-8-20/h3-6H,7-11H2,1-2H3,(H2,18,19,21,22)"	"DDDQVDIPBFGVIG-UHFFFAOYSA-N"	"?"
"3900"	"29529-99-5"	"1,3,5-Triazine-2,4(1H,3H)-dithione, 6-(dibutylamino)-"	"DTXSID0067478"	"CCCCN(CCCC)C1N=C(S)N=C(S)N=1"	"InChI=1S/C11H20N4S2/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9/h3-8H2,1-2H3,(H2,12,13,14,16,17)"	"IXDGHAZCSMVIFX-UHFFFAOYSA-N"	"?"
"3901"	"56986-36-8"			"CCCCN(COC(C)=O)N=O"	"InChI=1S/C7H14N2O3/c1-3-4-5-9(8-11)6-12-7(2)10/h3-6H2,1-2H3"	"YMUAXKYTHNCMAS-UHFFFAOYSA-N"	"?"
"3902"	"13114-87-9"	"[3-(Trifluoromethyl)phenyl]urea"	"DTXSID0065355"	"NC(=O)NC1=CC(=CC=C1)C(F)(F)F"	"InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)"	"FQEIBEOBXKJAMZ-UHFFFAOYSA-N"	"?"
"3903"	"27097-50-3"			"OC1(C2C=C(F)C=CC=2C2=NCCN12)C1C=CC=CC=1"	"InChI=1S/C16H13FN2O/c17-12-6-7-13-14(10-12)16(20,11-4-2-1-3-5-11)19-9-8-18-15(13)19/h1-7,10,20H,8-9H2"	"RVROVJJHPUKGLK-UHFFFAOYSA-N"	"?"
"3904"	"632-22-4"	"Tetramethylurea"	"DTXSID1060893"	"CN(C)C(=O)N(C)C"	"InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3"	"AVQQQNCBBIEMEU-UHFFFAOYSA-N"	"?"
"3905"	"55695-89-1"	"Diazene, bis[1-(1,1-dimethylethyl)-2,2-dimethylpropyl]-, 1,2-dioxide"	"DTXSID0069040"	"CC(C)(C)C(N(=O)=N(=O)C(C(C)(C)C)C(C)(C)C)C(C)(C)C"	"InChI=1S/C18H38N2O2/c1-15(2,3)13(16(4,5)6)19(21)20(22)14(17(7,8)9)18(10,11)12/h13-14H,1-12H3"	"IIVFGJKIYVRZQW-UHFFFAOYSA-N"	"?"
"3906"	"7442-07-1"	"2(3H)-Benzothiazolethione, 6-amino-"	"DTXSID0064703"	"NC1C=C2SC(S)=NC2=CC=1"	"InChI=1S/C7H6N2S2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10)"	"IDPNFKLUBIKHSW-UHFFFAOYSA-N"	"?"
"3907"	"5736-89-0"	"Ethanone, 1-(4-butoxyphenyl)-"	"DTXSID0063993"	"CC(=O)C1=CC=C(C=C1)OCCCC"	"InChI=1S/C12H16O2/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8H,3-4,9H2,1-2H3"	"YYLCJWIQUFHYMY-UHFFFAOYSA-N"	"?"
"3908"	"80463-72-5"	"Butanamide, N-cyclohexyl-N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)-"	"DTXSID90230339"	"CN1N=NN=C1SCCCC(=O)N(CC)C1CCCCC1"	"InChI=1S/C14H25N5OS/c1-3-19(12-8-5-4-6-9-12)13(20)10-7-11-21-14-15-16-17-18(14)2/h12H,3-11H2,1-2H3"	"RWGGSNKUNTZVTC-UHFFFAOYSA-N"	"?"
"3909"	"591-22-0"	"3,5-Dimethylpyridine"	"DTXSID5052254"	"CC1=CN=CC(C)=C1"	"InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3"	"HWWYDZCSSYKIAD-UHFFFAOYSA-N"	"?"
"3910"	"17977-13-8"	"2,2-Dinitropropyl methacrylate"	"DTXSID0066290"	"CC(=C)C(=O)OCC(C)([N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C7H10N2O6/c1-5(2)6(10)15-4-7(3,8(11)12)9(13)14/h1,4H2,2-3H3"	"QTIMQTTZBLVHIH-UHFFFAOYSA-N"	"?"
"3911"	"3555-86-0"	"Methanone, phenyl(2,4,6-trihydroxyphenyl)-"	"DTXSID0063072"	"OC1C=C(O)C=C(O)C=1C(=O)C1C=CC=CC=1"	"InChI=1S/C13H10O4/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,14-16H"	"CPEXFJVZFNYXGU-UHFFFAOYSA-N"	"?"
"3912"	"52868-49-2"	".beta.-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-, ethyl ester"	"DTXSID0068814"	"CC(=O)NC1C=C(NCCC(=O)OCC)C(=CC=1)OC"	"InChI=1S/C14H20N2O4/c1-4-20-14(18)7-8-15-12-9-11(16-10(2)17)5-6-13(12)19-3/h5-6,9,15H,4,7-8H2,1-3H3,(H,16,17)"	"NVGTWNRISAWCBH-UHFFFAOYSA-N"	"?"
"3913"	"63938-89-6"			"CC(CN(CC(C)OB(O)O)CCN(CC(C)OB(O)O)CC(C)OB(O)O)OB(O)O"	"InChI=1S/C14H36B4N2O12/c1-11(29-15(21)22)7-19(8-12(2)30-16(23)24)5-6-20(9-13(3)31-17(25)26)10-14(4)32-18(27)28/h11-14,21-28H,5-10H2,1-4H3"	"JVWMUNOKAVFCLP-UHFFFAOYSA-N"	"?"
"3914"	"17751-78-9"			"CCCCCCCCOC(C[N+]1C=CC=CC=1)C1C=CC(=CC=1)C1CCCC1"	"InChI=1S/C26H38NO/c1-2-3-4-5-6-12-21-28-26(22-27-19-10-7-11-20-27)25-17-15-24(16-18-25)23-13-8-9-14-23/h7,10-11,15-20,23,26H,2-6,8-9,12-14,21-22H2,1H3/q+1"	"HTGXNPYHDDYKOQ-UHFFFAOYSA-N"	"[Br-]"
"3915"	"168152-74-7"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 2-ethyl-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"DTXSID10168509"	"CCCC1=C(CC2C=CC(=CC=2)C2C=CC=CC=2C2N=NNN=2)C(=O)N=C2N=C(CC)NN12"	"InChI=1S/C24H24N8O/c1-3-7-20-19(23(33)26-24-25-21(4-2)29-32(20)24)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-27-30-31-28-22/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,25,26,29,33)(H,27,28,30,31)"	"CXMXYXWOGFMIBO-UHFFFAOYSA-N"	"?"
"3916"	"7542-37-2"	"Paromomycin"	"DTXSID8023424"	"NCC1OC(OC2C(CO)OC(OC3C(OC4OC(CO)C(O)C(O)C4N)C(N)CC(N)C3O)C2O)C(N)C(O)C1O"	"InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2"	"UOZODPSAJZTQNH-UHFFFAOYSA-N"	"?"
"3917"	"6054-48-4"	"1-Naphthalenamine, 4-[(4-aminophenyl)azo]-"	"DTXSID0064096"	"NC1C=CC(=CC=1)N=NC1C=CC(N)=C2C=CC=CC=12"	"InChI=1S/C16H14N4/c17-11-5-7-12(8-6-11)19-20-16-10-9-15(18)13-3-1-2-4-14(13)16/h1-10H,17-18H2"	"QDPSGELUBXFKSB-UHFFFAOYSA-N"	"?"
"3918"	"30387-70-3"	"Silvex 2-butoxyethyl ester"	"DTXSID0067553"	"CCCCOCCOC(=O)CCOC1C=C(Cl)C(Cl)=CC=1Cl"	"InChI=1S/C15H19Cl3O4/c1-2-3-5-20-7-8-22-15(19)4-6-21-14-10-12(17)11(16)9-13(14)18/h9-10H,2-8H2,1H3"	"WERRVXJNLSIJED-UHFFFAOYSA-N"	"?"
"3919"	"6284-40-8"	"Meglumine"	"DTXSID0023244"	"CNCC(O)C(O)C(O)C(O)CO"	"InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3"	"MBBZMMPHUWSWHV-UHFFFAOYSA-N"	"?"
"3920"	"26138-98-7"	"Benzenesulfonic acid, 4-[(1-acetyl-2-oxopropyl)azo]-, sodium salt"	"DTXSID0067181"	"CC(=O)C(N=NC1C=CC(=CC=1)S(O)(=O)=O)C(C)=O"	"InChI=1S/C11H12N2O5S/c1-7(14)11(8(2)15)13-12-9-3-5-10(6-4-9)19(16,17)18/h3-6,11H,1-2H3,(H,16,17,18)"	"IUYXGGNAXAHJMQ-UHFFFAOYSA-N"	"[Na+]"
"3921"	"5355-37-3"	"Benzenepropanamide, 3-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-(2-methoxyphenyl)-.beta.-oxo-"	"DTXSID0063810"	"COC1C=CC=CC=1NC(=O)CC(=O)C1C=C(C=CC=1)NC(=O)COC1C=CC(=CC=1C(C)(C)CC)C(C)(C)CC"	"InChI=1S/C34H42N2O5/c1-8-33(3,4)24-17-18-29(26(20-24)34(5,6)9-2)41-22-32(39)35-25-14-12-13-23(19-25)28(37)21-31(38)36-27-15-10-11-16-30(27)40-7/h10-20H,8-9,21-22H2,1-7H3,(H,35,39)(H,36,38)"	"JFJMYNRTYJNQHB-UHFFFAOYSA-N"	"?"
"3922"	"92-93-3"	"4-Nitrobiphenyl"	"DTXSID9041522"	"[O-][N+](=O)C1C=CC(=CC=1)C1C=CC=CC=1"	"InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H"	"BAJQRLZAPXASRD-UHFFFAOYSA-N"	"?"
"3923"	"38444-29-0"	"Benzoic acid, 4-[(1-oxohexyl)oxy]-, 4-heptylphenyl ester"	"DTXSID0068101"	"CCCCCC(=O)OC1C=CC(=CC=1)C(=O)OC1C=CC(CCCCCCC)=CC=1"	"InChI=1S/C26H34O4/c1-3-5-7-8-10-11-21-13-17-24(18-14-21)30-26(28)22-15-19-23(20-16-22)29-25(27)12-9-6-4-2/h13-20H,3-12H2,1-2H3"	"ZFRGBMGYFWSSJR-UHFFFAOYSA-N"	"?"
"3924"	"7044-91-9"	"9,10-Anthracenedicarboxaldehyde"	"DTXSID0064549"	"O=CC1C2=CC=CC=C2C(C=O)=C2C=CC=CC2=1"	"InChI=1S/C16H10O2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-10H"	"SBRUFOSORMQHES-UHFFFAOYSA-N"	"?"
"3925"	"61260-32-0"	"Phenol, 4-(1-methylethyl)-, sodium salt"	"DTXSID0069462"	"CC(C)C1C=CC(O)=CC=1"	"InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3"	"YQUQWHNMBPIWGK-UHFFFAOYSA-N"	"[Na+]"
"3926"	"6737-42-4"	"Phosphine, 1,3-propanediylbis[diphenyl-"	"DTXSID0064464"	"C(CCP(C1C=CC=CC=1)C1C=CC=CC=1)P(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2"	"LVEYOSJUKRVCCF-UHFFFAOYSA-N"	"?"
"3927"	"19841-73-7"	"Piperidine, 4-(diphenylmethyl)-"	"DTXSID0066539"	"C1CNCCC1C(C1=CC=CC=C1)C1=CC=CC=C1"	"InChI=1S/C18H21N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17-19H,11-14H2"	"LUYLEMZRJQTGPM-UHFFFAOYSA-N"	"?"
"3928"	"27816-23-5"	"2-Propenoic acid, 2-cyano-, 2-methoxyethyl ester"	"DTXSID0067341"	"COCCOC(=O)C(=C)C#N"	"InChI=1S/C7H9NO3/c1-6(5-8)7(9)11-4-3-10-2/h1,3-4H2,2H3"	"JYTXVMYBYRTJTI-UHFFFAOYSA-N"	"?"
"3929"	"24437-60-3"			"O=S(=O)(CCl)C1C=CC(Br)=CC=1"	"InChI=1S/C7H6BrClO2S/c8-6-1-3-7(4-2-6)12(10,11)5-9/h1-4H,5H2"	"AHXUVTKVCMOKIX-UHFFFAOYSA-N"	"?"
"3930"	"24683-26-9"	"4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid ethylester 1,1-dioxide"	"DTXSID30179415"	"CCOC(=O)C1=C(O)C2C=CC=CC=2S(=O)(=O)N1C"	"InChI=1S/C12H13NO5S/c1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2/h4-7,14H,3H2,1-2H3"	"QWTNANUGXZEPFQ-UHFFFAOYSA-N"	"?"
"3931"	"16574-43-9"	"Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol, 2',7'-dibromo-, 1,1-dioxide"	"DTXSID0066082"	"OC1=C2OC3C(=CC(Br)=C(O)C=3O)C3(OS(=O)(=O)C4=CC=CC=C34)C2=CC(Br)=C1O"	"InChI=1S/C19H10Br2O8S/c20-10-5-8-17(15(24)13(10)22)28-18-9(6-11(21)14(23)16(18)25)19(8)7-3-1-2-4-12(7)30(26,27)29-19/h1-6,22-25H"	"QFXYYBXMARTXHI-UHFFFAOYSA-N"	"?"
"3932"	"15087-68-0"	"Propanenitrile, 3-[[2-(benzoyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]-"	"DTXSID0065854"	"N#CCCN(CCOC(=O)C1C=CC=CC=1)C1C=CC(=CC=1)N=NC1C=CC(=CC=1Cl)[N+]([O-])=O"	"InChI=1S/C24H20ClN5O4/c25-22-17-21(30(32)33)11-12-23(22)28-27-19-7-9-20(10-8-19)29(14-4-13-26)15-16-34-24(31)18-5-2-1-3-6-18/h1-3,5-12,17H,4,14-16H2"	"GGZWNOLYDCKMNW-UHFFFAOYSA-N"	"?"
"3933"	"30377-68-5"	"1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt"	"DTXSID0067551"	"CC1N(CC)C2=CC(Cl)=C(C=C2[N+]=1CCCS([O-])(=O)=O)C(F)(F)F"	"InChI=1S/C14H16ClF3N2O3S/c1-3-19-9(2)20(5-4-6-24(21,22)23)12-7-10(14(16,17)18)11(15)8-13(12)19/h7-8H,3-6H2,1-2H3"	"FDUCVSFKFRCLCP-UHFFFAOYSA-N"	"?"
"3934"	"17094-34-7"	"Ethyl 4,4,4-trimethylacetoacetate"	"DTXSID0066161"	"CCOC(=O)CC(=O)C(C)(C)C"	"InChI=1S/C9H16O3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H2,1-4H3"	"VUYNTIDSHCJIKF-UHFFFAOYSA-N"	"?"
"3935"	"5531-65-7"	"Octadecanoic acid, phenylmethyl ester"	"DTXSID0063945"	"CCCCCCCCCCCCCCCCCC(=O)OCC1C=CC=CC=1"	"InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3"	"BPSLVNCMKDXZPC-UHFFFAOYSA-N"	"?"
"3936"	"62-73-7"	"Dichlorvos"	"DTXSID5020449"	"COP(=O)(OC=C(Cl)Cl)OC"	"InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3"	"OEBRKCOSUFCWJD-UHFFFAOYSA-N"	"?"
"3937"	"33353-30-9"	"Rhc 3281"	"DTXSID60186970"	"O=C1SC2C=CC(Cl)=CC=2N1CC(=O)N1CCNCC1"	"InChI=1S/C13H14ClN3O2S/c14-9-1-2-11-10(7-9)17(13(19)20-11)8-12(18)16-5-3-15-4-6-16/h1-2,7,15H,3-6,8H2"	"RPRUIZPTDDIOHH-UHFFFAOYSA-N"	"?"
"3938"	"1508-27-6"			"CN(C)CCCN1C2=CC=CC=C2SC2C=CC=CC1=2"	"InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3"	"ZGUGWUXLJSTTMA-UHFFFAOYSA-N"	"OP(=O)(O)O"
"3939"	"16974-11-1"	"(Z)-9-Dodecen-1-ol acetate"	"DTXSID6035524"	"CCC=CCCCCCCCCOC(C)=O"	"InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-5H,3,6-13H2,1-2H3"	"MFFQOUCMBNXSBK-UHFFFAOYSA-N"	"?"
"3940"	"92-64-8"	"N-Cyanoethyl-hydroxyethyl aniline"	"DTXSID6052617"	"N#CCCN(CCO)C1C=CC=CC=1"	"InChI=1S/C11H14N2O/c12-7-4-8-13(9-10-14)11-5-2-1-3-6-11/h1-3,5-6,14H,4,8-10H2"	"WZJJWQVBLSPALW-UHFFFAOYSA-N"	"?"
"3941"	"33398-01-5"	"1,1'-(2,3-Dimethylbutane-2,3-diyl)bis[4-(propan-2-yl)benzene]"	"DTXSID00493054"	"CC(C)(C1C=CC(=CC=1)C(C)C)C(C)(C)C1C=CC(=CC=1)C(C)C"	"InChI=1S/C24H34/c1-17(2)19-9-13-21(14-10-19)23(5,6)24(7,8)22-15-11-20(12-16-22)18(3)4/h9-18H,1-8H3"	"QZSVMKVOLCRBKZ-UHFFFAOYSA-N"	"?"
"3942"	"5422-88-8"	"Methanone, cyclopentylphenyl-"	"DTXSID0063864"	"O=C(C1CCCC1)C1C=CC=CC=1"	"InChI=1S/C12H14O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2"	"VYDIMQRLNMMJBW-UHFFFAOYSA-N"	"?"
"3943"	"6050-13-1"	"Dibenz[c,e]oxepin-5,7-dione"	"DTXSID0064094"	"O=C1OC(=O)C2=CC=CC=C2C2=CC=CC=C12"	"InChI=1S/C14H8O3/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(16)17-13/h1-8H"	"RTSGJTANVBJFFJ-UHFFFAOYSA-N"	"?"
"3944"	"13393-56-1"	"Acetic acid, bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester"	"DTXSID0065432"	"COC(=O)C(SC(=S)N(C)C)SC(=S)N(C)C"	"InChI=1S/C9H16N2O2S4/c1-10(2)8(14)16-7(6(12)13-5)17-9(15)11(3)4/h7H,1-5H3"	"JBYHBIUXSCRTHZ-UHFFFAOYSA-N"	"?"
"3945"	"4963-30-8"	"Piperazine, 1,4-bis(4-nitrosophenyl)-"	"DTXSID0063658"	"O=NC1C=CC(=CC=1)N1CCN(CC1)C1C=CC(=CC=1)N=O"	"InChI=1S/C16H16N4O2/c21-17-13-1-5-15(6-2-13)19-9-11-20(12-10-19)16-7-3-14(18-22)4-8-16/h1-8H,9-12H2"	"FHBCYOPBRVSSCN-UHFFFAOYSA-N"	"?"
"3946"	"16356-33-5"	"1,3,5-Triazin-2(1H)-one, 5-butyltetrahydro-1,3-bis(hydroxymethyl)-"	"DTXSID0066036"	"CCCCN1CN(CO)C(=O)N(C1)CO"	"InChI=1S/C9H19N3O3/c1-2-3-4-10-5-11(7-13)9(15)12(6-10)8-14/h13-14H,2-8H2,1H3"	"DIXQPRZAXALJGY-UHFFFAOYSA-N"	"?"
"3947"	"6729-96-0"	"Distearyl 3,3'-dithiopropionate"	"DTXSID0064462"	"CCCCCCCCCCCCCCCCCCOC(=O)CCSSCCC(=O)OCCCCCCCCCCCCCCCCCC"	"InChI=1S/C42H82O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-48-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3"	"XPNWIWHUGHAVLC-UHFFFAOYSA-N"	"?"
"3948"	"28519-50-8"	"Benzenesulfonothioic acid, 4-methyl-, potassium salt"	"DTXSID0067395"	"CC1=CC=C(C=C1)S([O-])(=O)=S"	"InChI=1S/C7H8O2S2/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1"	"SSBBQNOCGGHKJQ-UHFFFAOYSA-M"	"[K+]"
"3949"	"7041-24-9"	"2,3,5-Trichloro-6-(trichloromethyl)pyridine"	"DTXSID0064547"	"ClC1=CC(Cl)=C(Cl)N=C1C(Cl)(Cl)Cl"	"InChI=1S/C6HCl6N/c7-2-1-3(8)5(9)13-4(2)6(10,11)12/h1H"	"MSRGJVQTGNSQOZ-UHFFFAOYSA-N"	"?"
"3950"	"28416-66-2"			"CC(C)C(CC(C)N(C)C)(C#N)C1C=CC=CC=1"	"InChI=1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3"	"WFLSCFISQHLEED-UHFFFAOYSA-N"	"C(C(=O)O)C(CC(=O)O)(C(=O)O)O"
"3951"	"614-10-8"			"CC1C=CC=CC=1NC(=S)NN"	"InChI=1S/C8H11N3S/c1-6-4-2-3-5-7(6)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12)"	"QCMQZMITIOLXFZ-UHFFFAOYSA-N"	"?"
"3952"	"18755-43-6"	"Phosphonic acid, propyl-, dimethyl ester"	"DTXSID0066406"	"CCCP(=O)(OC)OC"	"InChI=1S/C5H13O3P/c1-4-5-9(6,7-2)8-3/h4-5H2,1-3H3"	"YWDFOLFVOVCBIU-UHFFFAOYSA-N"	"?"
"3953"	"80026-76-2"	"1H-Imidazol-2-amine, 4,5-dihydro-N-(2,6-dichlorophenyl)-1-(2-quinolinylcarbonyl)-"	"DTXSID70230019"	"O=C(C1=CC=C2C=CC=CC2=N1)N1CCN=C1NC1C(Cl)=CC=CC=1Cl"	"InChI=1S/C19H14Cl2N4O/c20-13-5-3-6-14(21)17(13)24-19-22-10-11-25(19)18(26)16-9-8-12-4-1-2-7-15(12)23-16/h1-9H,10-11H2,(H,22,24)"	"ZUOGANHZRCNEBW-UHFFFAOYSA-N"	"?"
"3954"	"672-04-8"	"m-(1-Ethylpropyl)phenyl methylcarbamate"	"DTXSID1042102"	"CNC(=O)OC1=CC(=CC=C1)C(CC)CC"	"InChI=1S/C13H19NO2/c1-4-10(5-2)11-7-6-8-12(9-11)16-13(15)14-3/h6-10H,4-5H2,1-3H3,(H,14,15)"	"SMSFWBAOKCZZBF-UHFFFAOYSA-N"	"?"
"3955"	"6410-38-4"	"2-Naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-3-hydroxy-N-(2-methoxyphenyl)-"	"DTXSID0064335"	"COC1C=CC=CC=1NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=C(Cl)C=CC=2Cl)C=1O"	"InChI=1S/C24H17Cl2N3O3/c1-32-21-9-5-4-8-19(21)27-24(31)17-12-14-6-2-3-7-16(14)22(23(17)30)29-28-20-13-15(25)10-11-18(20)26/h2-13,30H,1H3,(H,27,31)"	"IBVDQFFVBKPVPB-UHFFFAOYSA-N"	"?"
"3956"	"33432-52-9"	"3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-"	"DTXSID0067767"	"CC(C)(O)C#CC1=CC(=CC=C1)[N+]([O-])=O"	"InChI=1S/C11H11NO3/c1-11(2,13)7-6-9-4-3-5-10(8-9)12(14)15/h3-5,8,13H,1-2H3"	"SFSQLOPNXVVBLC-UHFFFAOYSA-N"	"?"
"3957"	"35092-73-0"	"Benzeneacetic acid, 2,4-dihydroxy-.alpha.-imino-, ethyl ester, hydrochloride"	"DTXSID0067890"	"CCOC(=O)C(=N)C1C=CC(O)=CC=1O"	"InChI=1S/C10H11NO4/c1-2-15-10(14)9(11)7-4-3-6(12)5-8(7)13/h3-5,11-13H,2H2,1H3"	"XPHNBTRGEFRCNW-UHFFFAOYSA-N"	"Cl"
"3958"	"102410-31-1"	"Glycine, N,N-dimethyl-, ((6-methylimidazo(2,1-b)thiazol-5-yl)methylene)hydrazide"	"DTXSID10145052"	"CN(C)CC(=O)NN=CC1=C(C)N=C2SC=CN12"	"InChI=1S/C11H15N5OS/c1-8-9(16-4-5-18-11(16)13-8)6-12-14-10(17)7-15(2)3/h4-6H,7H2,1-3H3,(H,14,17)"	"NPBIXFKKVFSPJP-UHFFFAOYSA-N"	"?"
"3959"	"6044-66-2"	"10H-Phenothiazine, 3,7-dioctyl-10-(phenylmethyl)-"	"DTXSID0064092"	"CCCCCCCCC1=CC2SC3=CC(CCCCCCCC)=CC=C3N(CC3C=CC=CC=3)C=2C=C1"	"InChI=1S/C35H47NS/c1-3-5-7-9-11-14-18-29-22-24-32-34(26-29)37-35-27-30(19-15-12-10-8-6-4-2)23-25-33(35)36(32)28-31-20-16-13-17-21-31/h13,16-17,20-27H,3-12,14-15,18-19,28H2,1-2H3"	"BIJMTMUECQSXDH-UHFFFAOYSA-N"	"?"
"3960"	"19159-68-3"	"Diazene, bis(2,4,6-trinitrophenyl)-"	"DTXSID0066458"	"[O-][N+](=O)C1=CC(=CC(=C1N=NC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O"	"InChI=1S/C12H4N8O12/c21-15(22)5-1-7(17(25)26)11(8(2-5)18(27)28)13-14-12-9(19(29)30)3-6(16(23)24)4-10(12)20(31)32/h1-4H"	"PSDIVOYKWCKHLG-UHFFFAOYSA-N"	"?"
"3961"	"15987-00-5"	"Pyrazine, 2-butyl-3-methyl-"	"DTXSID0065987"	"CC1=NC=CN=C1CCCC"	"InChI=1S/C9H14N2/c1-3-4-5-9-8(2)10-6-7-11-9/h6-7H,3-5H2,1-2H3"	"IRSIKJPEFMMRHD-UHFFFAOYSA-N"	"?"
"3962"	"59608-97-8"	"2-Thiazolamine, 4-(chloromethyl)-, monohydrochloride"	"DTXSID0069339"	"NC1=NC(CCl)=CS1"	"InChI=1S/C4H5ClN2S/c5-1-3-2-8-4(6)7-3/h2H,1H2,(H2,6,7)"	"QYKUGBMFPFOPNE-UHFFFAOYSA-N"	"Cl"
"3963"	"106-94-5"	"1-Bromopropane"	"DTXSID6021874"	"CCCBr"	"InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3"	"CYNYIHKIEHGYOZ-UHFFFAOYSA-N"	"?"
"3964"	"43042-08-6"	"Ethanol, 2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]-, benzoate (ester)"	"DTXSID0068446"	"CCN(CCOC(=O)C1C=CC=CC=1)C1C=CC(=CC=1)N=NC1=CC=C(C=C1Cl)[N+]([O-])=O"	"InChI=1S/C23H21ClN4O4/c1-2-27(14-15-32-23(29)17-6-4-3-5-7-17)19-10-8-18(9-11-19)25-26-22-13-12-20(28(30)31)16-21(22)24/h3-13,16H,2,14-15H2,1H3"	"NLEMXDVTBJHROX-UHFFFAOYSA-N"	"?"
"3965"	"13511-38-1"	"3-Chloropivalic acid"	"DTXSID0065517"	"CC(C)(CCl)C(O)=O"	"InChI=1S/C5H9ClO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)"	"YBJGQSNSAWZZHL-UHFFFAOYSA-N"	"?"
"3966"	"4395-53-3"	"Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione, 3-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-"	"DTXSID0063440"	"O=C1C2=CC(=CC=C2C2=CC=C3NC4=C5C(=CC=C4C4=CC=C1C2=C43)C(=O)C1=CC=CC=C1C5=O)NC1C=CC=C2C=1C(=O)C1=CC=CC=C1C2=O"	"InChI=1S/C45H22N2O5/c48-41-26-6-1-3-8-28(26)44(51)38-30(41)10-5-11-34(38)46-21-12-13-22-23-18-19-35-37-24(14-16-31(36(23)37)43(50)33(22)20-21)25-15-17-32-39(40(25)47-35)45(52)29-9-4-2-7-27(29)42(32)49/h1-20,46-47H"	"JACFBUVEFBYGAX-UHFFFAOYSA-N"	"?"
"3967"	"22807-99-4"	"1,3,5-Trimethoxy-2-(benzyl)benzene"	"DTXSID0066828"	"COC1C=C(C=C(OC)C=1CC1C=CC=CC=1)OC"	"InChI=1S/C16H18O3/c1-17-13-10-15(18-2)14(16(11-13)19-3)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3"	"YTQHXEQIYCMRGS-UHFFFAOYSA-N"	"?"
"3968"	"5374-06-1"	"1,3-Benzenediol, 4,6-bis(1,1-dimethylethyl)-"	"DTXSID0063818"	"CC(C)(C)C1C=C(C(O)=CC=1O)C(C)(C)C"	"InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,15-16H,1-6H3"	"KJFMXIXXYWHFAN-UHFFFAOYSA-N"	"?"
"3969"	"21331-43-1"	"4-(Naphthalen-2-yl)-1,3-thiazol-2-amine"	"DTXSID70350105"	"NC1=NC(=CS1)C1C=C2C=CC=CC2=CC=1"	"InChI=1S/C13H10N2S/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,14,15)"	"GWDNDNTTXIIXRS-UHFFFAOYSA-N"	"?"
"3970"	"88-84-6"	"(1S,4S)-1,4-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,5,6,7,8-octahydroazulene"	"DTXSID5052599"	"CC(C)=C1CC2C(C)CCC=2C(C)CC1"	"InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3"	"GIBQERSGRNPMEH-UHFFFAOYSA-N"	"?"
"3971"	"1532-10-1"	"Cyclohexanol, 4-piperidino-, benzoate (ester)"	"DTXSID90165278"	"O=C(OC1CCC(CC1)N1CCCCC1)C1C=CC=CC=1"	"InChI=1S/C18H25NO2/c20-18(15-7-3-1-4-8-15)21-17-11-9-16(10-12-17)19-13-5-2-6-14-19/h1,3-4,7-8,16-17H,2,5-6,9-14H2"	"XWJXAKXWAGKBPG-UHFFFAOYSA-N"	"?"
"3972"	"89-58-7"	"1,4-Dimethyl-2-nitrobenzene"	"DTXSID2025137"	"CC1=CC(=C(C)C=C1)[N+]([O-])=O"	"InChI=1S/C8H9NO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3"	"BSFHJMGROOFSRA-UHFFFAOYSA-N"	"?"
"3973"	"7218-46-4"	"[1,1'-Biphenyl]-4,4'-disulfonamide, N,N'-bis(phenylsulfonyl)-"	"DTXSID0064597"	"O=S(=O)(NS(=O)(=O)C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC(=CC=1)S(=O)(=O)NS(=O)(=O)C1C=CC=CC=1"	"InChI=1S/C24H20N2O8S4/c27-35(28,21-7-3-1-4-8-21)25-37(31,32)23-15-11-19(12-16-23)20-13-17-24(18-14-20)38(33,34)26-36(29,30)22-9-5-2-6-10-22/h1-18,25-26H"	"IISDMBNJXWPOIZ-UHFFFAOYSA-N"	"?"
"3974"	"154-93-8"	"Carmustine"	"DTXSID8022743"	"O=NN(CCCl)C(=O)NCCCl"	"InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)"	"DLGOEMSEDOSKAD-UHFFFAOYSA-N"	"?"
"3975"	"135861-56-2"	"1,3:2,4-Bis(3,4-dimethylbenzylidene)-D-sorbitol"	"DTXSID4051297"	"CC1=CC=C(C=C1C)C1OCC2OC(OC(C2O1)C(O)CO)C1C=C(C)C(C)=CC=1"	"InChI=1S/C24H30O6/c1-13-5-7-17(9-15(13)3)23-27-12-20-22(30-23)21(19(26)11-25)29-24(28-20)18-8-6-14(2)16(4)10-18/h5-10,19-26H,11-12H2,1-4H3"	"YWEWWNPYDDHZDI-UHFFFAOYSA-N"	"?"
"3976"	"6994-51-0"	"Benzenesulfonic acid, 5-(2H-naphtho[1,2-d]triazol-2-yl)-2-(2-phenylethenyl)-, phenyl ester"	"DTXSID0064543"	"O=S(=O)(OC1C=CC=CC=1)C1C=C(C=CC=1C=CC1C=CC=CC=1)N1N=C2C=CC3=CC=CC=C3C2=N1"	"InChI=1S/C30H21N3O3S/c34-37(35,36-26-12-5-2-6-13-26)29-21-25(19-17-24(29)16-15-22-9-3-1-4-10-22)33-31-28-20-18-23-11-7-8-14-27(23)30(28)32-33/h1-21H"	"UVLVTQUZKGNXQB-UHFFFAOYSA-N"	"?"
"3977"	"78484-03-4"			"C[N+]1(CC(O)COC2C=CC=C3NC(=O)CCC=23)CCC(CC1)C1C=CC=CC=1"	"InChI=1S/C24H30N2O3/c1-26(14-12-19(13-15-26)18-6-3-2-4-7-18)16-20(27)17-29-23-9-5-8-22-21(23)10-11-24(28)25-22/h2-9,19-20,27H,10-17H2,1H3/p+1"	"LLQCSNWLMYGVCH-UHFFFAOYSA-O"	"[I-]"
"3978"	"39062-67-4"	"5-Hydroxyflufenamic acid"	"DTXSID20192310"	"OC1C=CC(NC2C=C(C=CC=2)C(F)(F)F)=C(C=1)C(O)=O"	"InChI=1S/C14H10F3NO3/c15-14(16,17)8-2-1-3-9(6-8)18-12-5-4-10(19)7-11(12)13(20)21/h1-7,18-19H,(H,20,21)"	"HXTLXQUVSUWKKB-UHFFFAOYSA-N"	"?"
"3979"	"75-85-4"	"2-Methyl-2-butanol"	"DTXSID0041436"	"CCC(C)(C)O"	"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3"	"MSXVEPNJUHWQHW-UHFFFAOYSA-N"	"?"
"3980"	"19625-12-8"			"CN(C)CCC1OC2C=CC=CC=2NC2C=CC=CC=21"	"InChI=1S/C17H20N2O/c1-19(2)12-11-16-13-7-3-4-8-14(13)18-15-9-5-6-10-17(15)20-16/h3-10,16,18H,11-12H2,1-2H3"	"APZLQOUDYCBAEH-UHFFFAOYSA-N"	"C(=C/C(=O)[O-])\C(=O)O"
"3981"	"56742-57-5"	"Ethanaminium, 2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethyl-, hydroxide"	"DTXSID0069123"	"C[N+](C)(CCO)CCO"	"InChI=1S/C6H16NO2/c1-7(2,3-5-8)4-6-9/h8-9H,3-6H2,1-2H3/q+1"	"FIVJMCNNMIGYRO-UHFFFAOYSA-N"	"[OH-]"
"3982"	"33498-40-7"	"2-Pentene, 1,1-diethoxy-"	"DTXSID0067769"	"CCC=CC(OCC)OCC"	"InChI=1S/C9H18O2/c1-4-7-8-9(10-5-2)11-6-3/h7-9H,4-6H2,1-3H3"	"LMEVRZONMYHVAF-UHFFFAOYSA-N"	"?"
"3983"	"1458-18-0"	"Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate"	"DTXSID8057645"	"COC(=O)C1=NC(Cl)=C(Cl)N=C1N"	"InChI=1S/C6H5Cl2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)"	"USYMCUGEGUFUBI-UHFFFAOYSA-N"	"?"
"3984"	"36365-79-4"	"4-Thiazoleacetic acid, 2,3-dihydro-2-thioxo-"	"DTXSID0067971"	"OC(=O)CC1=CSC(S)=N1"	"InChI=1S/C5H5NO2S2/c7-4(8)1-3-2-10-5(9)6-3/h2H,1H2,(H,6,9)(H,7,8)"	"VKONPNAILGGMSR-UHFFFAOYSA-N"	"?"
"3985"	"50687-70-2"	"Benzoic acid, 3-chloro-4-hydroxy-, 4-pentylphenyl ester"	"DTXSID0068575"	"CCCCCC1C=CC(=CC=1)OC(=O)C1=CC(Cl)=C(O)C=C1"	"InChI=1S/C18H19ClO3/c1-2-3-4-5-13-6-9-15(10-7-13)22-18(21)14-8-11-17(20)16(19)12-14/h6-12,20H,2-5H2,1H3"	"MBWAFEFPEJYWGU-UHFFFAOYSA-N"	"?"
"3986"	"30299-08-2"	"Clinofibrate"	"DTXSID6046638"	"CC(CC)(OC1C=CC(=CC=1)C1(CCCCC1)C1C=CC(=CC=1)OC(C)(CC)C(O)=O)C(O)=O"	"InChI=1S/C28H36O6/c1-5-26(3,24(29)30)33-22-14-10-20(11-15-22)28(18-8-7-9-19-28)21-12-16-23(17-13-21)34-27(4,6-2)25(31)32/h10-17H,5-9,18-19H2,1-4H3,(H,29,30)(H,31,32)"	"BMOVQUBVGICXQN-UHFFFAOYSA-N"	"?"
"3987"	"58470-10-3"	"Benzaldehyde, 2,4,6-tripropoxy-"	"DTXSID0069252"	"CCCOC1C=C(C=C(OCCC)C=1C=O)OCCC"	"InChI=1S/C16H24O4/c1-4-7-18-13-10-15(19-8-5-2)14(12-17)16(11-13)20-9-6-3/h10-12H,4-9H2,1-3H3"	"ZKEZHPWKUOFRIB-UHFFFAOYSA-N"	"?"
"3988"	"32768-54-0"	"Benzene, 1,2-dichloro-3-methyl-"	"DTXSID0067717"	"CC1C=CC=C(Cl)C=1Cl"	"InChI=1S/C7H6Cl2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3"	"GWLKCPXYBLCEKC-UHFFFAOYSA-N"	"?"
"3989"	"54381-08-7"	"Phenol, 4-[(2-nitrophenyl)amino]-"	"DTXSID0068949"	"[O-][N+](=O)C1C=CC=CC=1NC1C=CC(O)=CC=1"	"InChI=1S/C12H10N2O3/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17/h1-8,13,15H"	"HSDSBIUUVWRHTM-UHFFFAOYSA-N"	"?"
"3990"	"125055-66-5"	"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(4-fluorophenyl)-6-methyl-4-oxo-"	"DTXSID60154573"	"CC1=CC=CC2=NC=C(C(=O)NC3C=CC(F)=CC=3)C(=O)N21"	"InChI=1S/C16H12FN3O2/c1-10-3-2-4-14-18-9-13(16(22)20(10)14)15(21)19-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,19,21)"	"UEHBHFUOPPIXOA-UHFFFAOYSA-N"	"?"
"3991"	"52671-38-2"	"9,10-Anthracenedione, 2,2'-[1,4-phenylenebis(1,3,4-oxadiazole-5,2-diyl)]bis[1-amino-"	"DTXSID0068781"	"NC1=C2C(=CC=C1C1=NN=C(O1)C1C=CC(=CC=1)C1=NN=C(O1)C1=CC=C3C(C(=O)C4C=CC=CC=4C3=O)=C1N)C(=O)C1C=CC=CC=1C2=O"	"InChI=1S/C38H20N6O6/c39-29-25(15-13-23-27(29)33(47)21-7-3-1-5-19(21)31(23)45)37-43-41-35(49-37)17-9-11-18(12-10-17)36-42-44-38(50-36)26-16-14-24-28(30(26)40)34(48)22-8-4-2-6-20(22)32(24)46/h1-16H,39-40H2"	"KURKYSBFMTWTAP-UHFFFAOYSA-N"	"?"
"3992"	"18418-79-6"	"Benzenamine, N,N-dimethyl-4-(triethoxysilyl)-"	"DTXSID0066371"	"CN(C)C1C=CC(=CC=1)[Si](OCC)(OCC)OCC"	"InChI=1S/C14H25NO3Si/c1-6-16-19(17-7-2,18-8-3)14-11-9-13(10-12-14)15(4)5/h9-12H,6-8H2,1-5H3"	"ZDAMOIHILBVHMU-UHFFFAOYSA-N"	"?"
"3993"	"81479-65-4"			"CN1CC(OC(C)=O)N(C1=O)C1=CC(=NO1)C(C)(C)C"	"InChI=1S/C13H19N3O4/c1-8(17)19-11-7-15(5)12(18)16(11)10-6-9(14-20-10)13(2,3)4/h6,11H,7H2,1-5H3"	"MIGRYTAVWMQWCF-UHFFFAOYSA-N"	"?"
"3994"	"33236-07-6"			"CC1(CNC(=NC1)C(OCC)C1C=CC=CC=1)CC"	"InChI=1S/C16H24N2O/c1-4-16(3)11-17-15(18-12-16)14(19-5-2)13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3,(H,17,18)"	"BYMORBGQWDQSNO-UHFFFAOYSA-N"	"?"
"3995"	"867-13-0"	"Triethyl phosphonoacetate"	"DTXSID4041573"	"CCOC(=O)CP(=O)(OCC)OCC"	"InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3"	"GGUBFICZYGKNTD-UHFFFAOYSA-N"	"?"
"3996"	"24853-80-3"	"Azaphen"	"DTXSID10179554"	"CN1CCN(CC1)C1C=C2C(=NN=1)OC1C=CC=CC=1N2C"	"InChI=1S/C16H19N5O/c1-19-7-9-21(10-8-19)15-11-13-16(18-17-15)22-14-6-4-3-5-12(14)20(13)2/h3-6,11H,7-10H2,1-2H3"	"SDYYIRPAZHJOLM-UHFFFAOYSA-N"	"Cl.Cl"
"3997"	"21436-98-6"	"2,6-Xylidine hydrochloride"	"DTXSID80175705"	"CC1C=CC=C(C)C=1N"	"InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3"	"UFFBMTHBGFGIHF-UHFFFAOYSA-N"	"Cl"
"3998"	"76950-43-1"			"OCC1CN2CCN1CC2"	"InChI=1S/C7H14N2O/c10-6-7-5-8-1-3-9(7)4-2-8/h7,10H,1-6H2"	"MPJZCYUPWINKPK-UHFFFAOYSA-N"	"?"
"3999"	"4143-74-2"	"4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-"	"DTXSID0063319"	"COC1=CC=C(C=C1)C1=CC(=O)C2=CC=CC=C2O1"	"InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3"	"OMICQBVLCVRFGN-UHFFFAOYSA-N"	"?"
"4000"	"1852-17-1"	"Tetrahydro-2-pyrimidinone"	"DTXSID9051820"	"O=C1NCCCN1"	"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)"	"NQPJDJVGBDHCAD-UHFFFAOYSA-N"	"?"
"4001"	"NOCAS_863319"	"CERAPP_31180"	"DTXSID00863319"	"CC(Cl)C(C)=O"	"InChI=1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3"	"OIMRLHCSLQUXLL-UHFFFAOYSA-N"	"?"
"4002"	"39205-83-9"	"1-(2-Hydroxyethyl)-3-nitro-4-pyrazolecarboxamide"	"DTXSID00192459"	"NC(=O)C1=CN(CCO)N=C1[N+]([O-])=O"	"InChI=1S/C6H8N4O4/c7-5(12)4-3-9(1-2-11)8-6(4)10(13)14/h3,11H,1-2H2,(H2,7,12)"	"LOIDMDPCSBUPCZ-UHFFFAOYSA-N"	"?"
"4003"	"63589-39-9"	"Propanenitrile, 3-(ethylphenylamino)-, monohydrochloride"	"DTXSID0069961"	"CCN(CCC#N)C1C=CC=CC=1"	"InChI=1S/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3"	"WYRNRZQRKCXPLA-UHFFFAOYSA-N"	"Cl"
"4004"	"68556-08-1"	"2-Naphthalenecarboxamide, 3-hydroxy-N-(3-nitrophenyl)-, monosodium salt"	"DTXSID0071679"	"[O-][N+](=O)C1=CC(=CC=C1)NC(=O)C1C=C2C=CC=CC2=CC=1O"	"InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)"	"YZJSKRBKHCLMQC-UHFFFAOYSA-N"	"[Na+]"
"4005"	"72319-20-1"	"Benzenamine, 2-[(4-aminophenyl)thio]-, dihydrochloride"	"DTXSID0072566"	"NC1C=CC(=CC=1)SC1C=CC=CC=1N"	"InChI=1S/C12H12N2S/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H,13-14H2"	"SDFBOZZUDRGADA-UHFFFAOYSA-N"	"Cl.Cl"
"4006"	"7379-51-3"	"4-(Methylthio)-3,5-xylenol"	"DTXSID9041497"	"CC1C=C(O)C=C(C)C=1SC"	"InChI=1S/C9H12OS/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5,10H,1-3H3"	"JGFZITGNFAVSKU-UHFFFAOYSA-N"	"?"
"4007"	"2349-07-7"	"Hexyl isobutyrate"	"DTXSID2047519"	"CCCCCCOC(=O)C(C)C"	"InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3"	"CYHBDKTZDLSRMY-UHFFFAOYSA-N"	"?"
"4008"	"92-78-4"	"2-Naphthalenecarboxamide, N-(4-chlorophenyl)-3-hydroxy-"	"DTXSID7059066"	"OC1=CC2C=CC=CC=2C=C1C(=O)NC1C=CC(Cl)=CC=1"	"InChI=1S/C17H12ClNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21)"	"OHAXNCGNVGGWSO-UHFFFAOYSA-N"	"?"
"4009"	"520-26-3"	"Hesperidin"	"DTXSID9044328"	"CC1OC(OCC2OC(OC3=CC4OC(CC(=O)C=4C(O)=C3)C3=CC(O)=C(C=C3)OC)C(O)C(O)C2O)C(O)C(O)C1O"	"InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3"	"QUQPHWDTPGMPEX-UHFFFAOYSA-N"	"?"
"4010"	"NOCAS_863556"	"CERAPP_31855"	"DTXSID00863556"	"CC(=C)C1CC(=O)C(C)CC1"	"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3"	"AZOCECCLWFDTAP-UHFFFAOYSA-N"	"?"
"4011"	"73275-65-7"	"2,8,10-Trioxa-5-azadodecanoic acid, 5-[5-(acetylamino)-2-methoxy-4-[(5-nitro-2-thiazolyl)azo]phenyl]-9-oxo-, ethyl ester"	"DTXSID0072728"	"CC(=O)NC1=CC(=C(C=C1N=NC1=NC=C(S1)[N+]([O-])=O)OC)N(CCOC(=O)OCC)CCOC(=O)OCC"	"InChI=1S/C22H28N6O10S/c1-5-35-21(30)37-9-7-27(8-10-38-22(31)36-6-2)17-11-15(24-14(3)29)16(12-18(17)34-4)25-26-20-23-13-19(39-20)28(32)33/h11-13H,5-10H2,1-4H3,(H,24,29)"	"ODIFKPQLBOSKKI-UHFFFAOYSA-N"	"?"
"4012"	"58327-11-0"			"CC1CC(CC(C)(C)C1)OC(=O)C(C)OC1C=CC(Cl)=CC=1"	"InChI=1S/C18H25ClO3/c1-12-9-16(11-18(3,4)10-12)22-17(20)13(2)21-15-7-5-14(19)6-8-15/h5-8,12-13,16H,9-11H2,1-4H3"	"ZRQIJNNWPFPQCF-UHFFFAOYSA-N"	"?"
"4013"	"105-74-8"	"Peroxide, bis(1-oxododecyl)"	"DTXSID1059319"	"CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC"	"InChI=1S/C24H46O4/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-28-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3"	"YIVJZNGAASQVEM-UHFFFAOYSA-N"	"?"
"4014"	"50335-03-0"	"Chaetoglobosin A"	"DTXSID20891790"	"CC12OC1C1C=CCC(C)C=C(C)C(=O)C(O)C=CC(=O)C31C(C(CC1=CNC4C=CC=CC=41)NC3=O)C2C |c:6,18,t:11|"	"InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24-25,27,29,33,35H,8,15H2,1-4H3,(H,34,38)/b10-7-,13-12-,18-14-"	"WWGGKMAHFLTHKU-BCSUKUKTSA-N"	"?"
"4015"	"79350-37-1"	"Cefixime"	"DTXSID7022754"	"C=CC1CSC2C(NC(=O)C(=NOCC(O)=O)C3=CSC(N)=N3)C(=O)N2C=1C(O)=O"	"InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)"	"OKBVVJOGVLARMR-UHFFFAOYSA-N"	"?"
"4016"	"67893-43-0"	"Acetic acid, [3-[4-(benzoylamino)-3-methylphenyl]-1-methyl-2-triazenyl]-, monosodium salt"	"DTXSID0070786"	"CC1=CC(=CC=C1NC(=O)C1C=CC=CC=1)N=NN(C)CC(O)=O"	"InChI=1S/C17H18N4O3/c1-12-10-14(19-20-21(2)11-16(22)23)8-9-15(12)18-17(24)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,24)(H,22,23)"	"GKXURLPKAHUJLY-UHFFFAOYSA-N"	"[Na+]"
"4017"	"65122-41-0"	"Benzenemethanol, 4-amino-.alpha.-(4-amino-2-methylphenyl)-.alpha.-(2-chlorophenyl)-2-methyl-"	"DTXSID0070239"	"CC1C=C(N)C=CC=1C(O)(C1C=CC=CC=1Cl)C1C=CC(N)=CC=1C"	"InChI=1S/C21H21ClN2O/c1-13-11-15(23)7-9-17(13)21(25,19-5-3-4-6-20(19)22)18-10-8-16(24)12-14(18)2/h3-12,25H,23-24H2,1-2H3"	"PBRNBXVTBUODFJ-UHFFFAOYSA-N"	"?"
"4018"	"68109-93-3"	"1,8-Pyrenedione, 2,7-dibromo-3,6-dihydroxy-"	"DTXSID0071097"	"O=C1C(Br)C(=O)C2=CC=C3C4=C2C1=CC=C4C(=O)C(Br)C3=O"	"InChI=1S/C16H6Br2O4/c17-11-13(19)5-1-2-6-10-8(16(22)12(18)14(6)20)4-3-7(9(5)10)15(11)21/h1-4,11-12H"	"IRGKJPHTQIWQTD-UHFFFAOYSA-N"	"?"
"4019"	"67990-05-0"	"2-Naphthalenecarboxamide, N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-"	"DTXSID0070942"	"COC1C=CC(=CC=1N=NC1C(O)=C(C=C2C=CC=CC2=1)C(=O)NC1C=C(Cl)C=CC=1OC)C(=O)NC1C=CC=CC=1"	"InChI=1S/C32H25ClN4O5/c1-41-27-15-13-21(33)18-25(27)35-32(40)24-16-19-8-6-7-11-23(19)29(30(24)38)37-36-26-17-20(12-14-28(26)42-2)31(39)34-22-9-4-3-5-10-22/h3-18,38H,1-2H3,(H,34,39)(H,35,40)"	"IBHCUBFBUGYOHF-UHFFFAOYSA-N"	"?"
"4020"	"3182-02-3"	"3H-Pyrazol-3-one, 5-[(2,4-dichlorophenyl)amino]-2,4-dihydro-2-(2,4,6-trichlorophenyl)-"	"DTXSID7062900"	"O=C1CC(NC2C=CC(Cl)=CC=2Cl)=NN1C1C(Cl)=CC(Cl)=CC=1Cl"	"InChI=1S/C15H8Cl5N3O/c16-7-1-2-12(9(18)3-7)21-13-6-14(24)23(22-13)15-10(19)4-8(17)5-11(15)20/h1-5H,6H2,(H,21,22)"	"SFHFZFPJBHUPNX-UHFFFAOYSA-N"	"?"
"4021"	"106246-33-7"	"Benzenamine, 4,4'-methylenebis[3-chloro-2,6-diethyl-"	"DTXSID0073031"	"CCC1C=C(CC2=CC(CC)=C(N)C(CC)=C2Cl)C(Cl)=C(CC)C=1N"	"InChI=1S/C21H28Cl2N2/c1-5-12-9-14(18(22)16(7-3)20(12)24)11-15-10-13(6-2)21(25)17(8-4)19(15)23/h9-10H,5-8,11,24-25H2,1-4H3"	"VIOMIGLBMQVNLY-UHFFFAOYSA-N"	"?"
"4022"	"96182-53-5"	"Tebupirimfos"	"DTXSID1032482"	"CCOP(=S)(OC(C)C)OC1=CN=C(N=C1)C(C)(C)C"	"InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3"	"AWYOMXWDGWUJHS-UHFFFAOYSA-N"	"?"
"4023"	"NOCAS_865696"	"CERAPP_39298"	"DTXSID00865696"	"CC1OC(CO1)C1C=CC=CC=1"	"InChI=1S/C10H12O2/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3"	"YPPGSWWESBCSCT-UHFFFAOYSA-N"	"?"
"4024"	"5945-33-5"	"Phosphoric acid, P,P'-[(1-methylethylidene)di-4,1-phenylene] P,P,P',P'-tetraphenyl ester"	"DTXSID8052720"	"CC(C)(C1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1)C1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"InChI=1S/C39H34O8P2/c1-39(2,31-23-27-37(28-24-31)46-48(40,42-33-15-7-3-8-16-33)43-34-17-9-4-10-18-34)32-25-29-38(30-26-32)47-49(41,44-35-19-11-5-12-20-35)45-36-21-13-6-14-22-36/h3-30H,1-2H3"	"BQPNUOYXSVUVMY-UHFFFAOYSA-N"	"?"
"4025"	"144-15-0"	"1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tris(2-ethylhexyl) ester"	"DTXSID80883333"	"CC(=O)OC(CC(=O)OCC(CCCC)CC)(CC(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC"	"InChI=1S/C32H58O8/c1-8-14-17-26(11-4)22-37-29(34)20-32(40-25(7)33,31(36)39-24-28(13-6)19-16-10-3)21-30(35)38-23-27(12-5)18-15-9-2/h26-28H,8-24H2,1-7H3"	"FRDNONBEXWDRDM-UHFFFAOYSA-N"	"?"
"4026"	"442536-99-4"	"Benzeneacetic acid, .alpha.-oxo-, 2-(2-hydroxyethoxy)ethyl ester"	"DTXSID0074972"	"OCCOCCOC(=O)C(=O)C1C=CC=CC=1"	"InChI=1S/C12H14O5/c13-6-7-16-8-9-17-12(15)11(14)10-4-2-1-3-5-10/h1-5,13H,6-9H2"	"RQGSZGCFMVGVJR-UHFFFAOYSA-N"	"?"
"4027"	"123172-47-4"	"1-Butanone, 1-(4-amino-3-hydroxyphenyl)-"	"DTXSID80153881"	"CCCC(=O)C1=CC(O)=C(N)C=C1"	"InChI=1S/C10H13NO2/c1-2-3-9(12)7-4-5-8(11)10(13)6-7/h4-6,13H,2-3,11H2,1H3"	"NLAPTLUVVJSIHL-UHFFFAOYSA-N"	"?"
"4028"	"840-65-3"	"Dimethyl 2,6-naphthalenedicarboxylate"	"DTXSID6029202"	"COC(=O)C1C=C2C=CC(=CC2=CC=1)C(=O)OC"	"InChI=1S/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3"	"GYUVMLBYMPKZAZ-UHFFFAOYSA-N"	"?"
"4029"	"83857-96-9"	"2-Butyl-5-chloroimidazole-4-carbaldehyde"	"DTXSID4075039"	"CCCCC1NC(Cl)=C(C=O)N=1"	"InChI=1S/C8H11ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11)"	"JLVIHQCWASNXCK-UHFFFAOYSA-N"	"?"
"4030"	"18691-97-9"	"Methabenzthiazuron"	"DTXSID0037570"	"CNC(=O)N(C)C1=NC2C=CC=CC=2S1"	"InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)"	"RRVIAQKBTUQODI-UHFFFAOYSA-N"	"?"
"4031"	"6259-76-3"	"Hexyl salicylate"	"DTXSID4038924"	"CCCCCCOC1C=CC=CC=1C(O)=O"	"InChI=1S/C13H18O3/c1-2-3-4-7-10-16-12-9-6-5-8-11(12)13(14)15/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,15)"	"BVLVGYXYGXOSOG-UHFFFAOYSA-N"	"?"
"4032"	"59673-82-4"	"Benzoic acid, 2-amino-4-[[(2,5-dichlorophenyl)amino]carbonyl]-, methyl ester"	"DTXSID60886362"	"COC(=O)C1C=CC(=CC=1N)C(=O)NC1=CC(Cl)=CC=C1Cl"	"InChI=1S/C15H12Cl2N2O3/c1-22-15(21)10-4-2-8(6-12(10)18)14(20)19-13-7-9(16)3-5-11(13)17/h2-7H,18H2,1H3,(H,19,20)"	"SQYUJKVKVFILNB-UHFFFAOYSA-N"	"?"
"4033"	"1239-29-8"	"Furazabol"	"DTXSID7046889"	"CC12CCC3C(CCC4CC5=NON=C5CC43C)C1CCC2(C)O"	"InChI=1S/C20H30N2O2/c1-18-11-17-16(21-24-22-17)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)23/h12-15,23H,4-11H2,1-3H3"	"RGLLOUBXMOGLDQ-UHFFFAOYSA-N"	"?"
"4034"	"112-32-3"	"Formic acid, octyl ester"	"DTXSID4059417"	"CCCCCCCCOC=O"	"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3"	"AVBRYQRTMPHARE-UHFFFAOYSA-N"	"?"
"4035"	"84496-56-0"	"Clomeprop"	"DTXSID0058198"	"CC1C(Cl)=C(C=CC=1Cl)OC(C)/C(/O)=N/C1C=CC=CC=1"	"InChI=1S/C16H15Cl2NO2/c1-10-13(17)8-9-14(15(10)18)21-11(2)16(20)19-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,19,20)"	"BDQWWOHKFDSADC-UHFFFAOYSA-N"	"?"
"4036"	"132900-75-5"			"CC1C=C(C=CC=1OC(=O)C1C=CC(=CC=1)OCCCCOC(=O)C=C)OC(=O)C1C=CC(=CC=1)OCCCCOC(=O)C=C"	"InChI=1S/C35H36O10/c1-4-32(36)42-22-8-6-20-40-28-14-10-26(11-15-28)34(38)44-30-18-19-31(25(3)24-30)45-35(39)27-12-16-29(17-13-27)41-21-7-9-23-43-33(37)5-2/h4-5,10-19,24H,1-2,6-9,20-23H2,3H3"	"NLGINBDFXRCWQW-UHFFFAOYSA-N"	"?"
"4037"	"109-50-2"	"3-HEXYN-2-OL"	"DTXSID00875614"	"CCC#CC(C)O"	"InChI=1S/C6H10O/c1-3-4-5-6(2)7/h6-7H,3H2,1-2H3"	"IFCAMPHNVKBSTF-UHFFFAOYSA-N"	"?"
"4038"	"68214-54-0"	"Octadecanamide, N-[2-[(3-amino-3-oxopropyl)(1-oxooctadecyl)amino]ethyl]-N-[2-[(1-oxooctadecyl)amino]ethyl]-, monoacetate"	"DTXSID0071257"	"CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCC(N)=O)C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC"	"InChI=1S/C61H120N4O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-59(67)63-53-55-65(61(69)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)57-56-64(54-52-58(62)66)60(68)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h4-57H2,1-3H3,(H2,62,66)(H,63,67)"	"KHMHXJUESNCFHC-UHFFFAOYSA-N"	"C(C)(=O)O"
"4039"	"624-13-5"	"Propyl octanoate"	"DTXSID9060782"	"CCCCCCCC(=O)OCCC"	"InChI=1S/C11H22O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-10H2,1-2H3"	"IDHBLVYDNJDWNO-UHFFFAOYSA-N"	"?"
"4040"	"64509-08-6"	"Hexadecadien-1-ol, hydrogen sulfate, sodium salt"	"DTXSID0070106"	"C=CCCCCCCCCCCCCC=COS(O)(=O)=O"	"InChI=1S/C16H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2,15-16H,1,3-14H2,(H,17,18,19)"	"PMRXNLOUVWVIII-UHFFFAOYSA-N"	"[Na+]"
"4041"	"74441-06-8"			"NC(=O)C1C=CC(=CC=1)NC(=O)C1C=CC(N)=CC=1"	"InChI=1S/C14H13N3O2/c15-11-5-1-10(2-6-11)14(19)17-12-7-3-9(4-8-12)13(16)18/h1-8H,15H2,(H2,16,18)(H,17,19)"	"FSPYMSUDIVFOHY-UHFFFAOYSA-N"	"?"
"4042"	"80427-93-6"	"2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)-"	"DTXSID40230309"	"CCCC(=O)C1C=C2OC(=O)N(C)C2=CC=1"	"InChI=1S/C12H13NO3/c1-3-4-10(14)8-5-6-9-11(7-8)16-12(15)13(9)2/h5-7H,3-4H2,1-2H3"	"DTZSMSQKCBQDCM-UHFFFAOYSA-N"	"?"
"4043"	"71216-00-7"	"N,N''-(Methylenedi-4,1-phenylene)bis[N'-tridecylurea]"	"DTXSID0072306"	"CCCCCCCCCCCCCNC(=O)NC1C=CC(CC2C=CC(=CC=2)NC(=O)NCCCCCCCCCCCCC)=CC=1"	"InChI=1S/C41H68N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-33-42-40(46)44-38-29-25-36(26-30-38)35-37-27-31-39(32-28-37)45-41(47)43-34-24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24,33-35H2,1-2H3,(H2,42,44,46)(H2,43,45,47)"	"RIVGBEPCRRPCFS-UHFFFAOYSA-N"	"?"
"4044"	"61276-17-3"			"CC1OC(OC2C(OC(=O)C=CC3=CC(O)=C(O)C=C3)C(CO)OC(OCCC3C=CC(O)=C(O)C=3)C2O)C(O)C(O)C1O"	"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3"	"FBSKJMQYURKNSU-UHFFFAOYSA-N"	"?"
"4045"	"89-04-3"	"Trioctyl trimellitate"	"DTXSID0047533"	"CCCCCCCCOC(=O)C1=CC=C(C=C1C(=O)OCCCCCCCC)C(=O)OCCCCCCCC"	"InChI=1S/C33H54O6/c1-4-7-10-13-16-19-24-37-31(34)28-22-23-29(32(35)38-25-20-17-14-11-8-5-2)30(27-28)33(36)39-26-21-18-15-12-9-6-3/h22-23,27H,4-21,24-26H2,1-3H3"	"JNXDCMUUZNIWPQ-UHFFFAOYSA-N"	"?"
"4046"	"68109-91-1"	"1,7-Anthracenedisulfonic acid, 8-amino-5-bromo-9,10-dihydro-9,10-dioxo-, dipotassium salt"	"DTXSID0071095"	"NC1C2=C(C(Br)=CC=1S(O)(=O)=O)C(=O)C1=CC=CC(=C1C2=O)S(O)(=O)=O"	"InChI=1S/C14H8BrNO8S2/c15-6-4-8(26(22,23)24)12(16)11-10(6)13(17)5-2-1-3-7(25(19,20)21)9(5)14(11)18/h1-4H,16H2,(H,19,20,21)(H,22,23,24)"	"DAQSXJRFPGVRFV-UHFFFAOYSA-N"	"[K+].[K+]"
"4047"	"20541-83-7"			"COC1C=C(C=C(OC)C=1OC)C(=O)OCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C31H37ClN2O6/c1-36-27-21-25(22-28(37-2)30(27)38-3)31(35)40-20-19-39-18-17-33-13-15-34(16-14-33)29(23-7-5-4-6-8-23)24-9-11-26(32)12-10-24/h4-12,21-22,29H,13-20H2,1-3H3"	"DTBRWRUNMBOOFG-UHFFFAOYSA-N"	"Cl.Cl"
"4048"	"98532-67-3"	"1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-"	"DTXSID40243636"	"ClC1C=C(Cl)C2OC(=CC=2C=1)C1(CN2C=NC=N2)OCCO1"	"InChI=1S/C14H11Cl2N3O3/c15-10-3-9-4-12(22-13(9)11(16)5-10)14(20-1-2-21-14)6-19-8-17-7-18-19/h3-5,7-8H,1-2,6H2"	"DSBJCXOOXAUGCZ-UHFFFAOYSA-N"	"?"
"4049"	"97375-48-9"	"Benzene, 1-(2-methoxyethoxy)-4-methyl-"	"DTXSID0072984"	"CC1C=CC(=CC=1)OCCOC"	"InChI=1S/C10H14O2/c1-9-3-5-10(6-4-9)12-8-7-11-2/h3-6H,7-8H2,1-2H3"	"DOSUSQYYROSQFJ-UHFFFAOYSA-N"	"?"
"4050"	"68214-64-2"	"3-Pyridinecarbonitrile, 5-[(3-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-(phenylamino)-"	"DTXSID0071259"	"CC1C(N=NC2C=C(Cl)C=CC=2)C(=O)N(NC2C=CC=CC=2)C(=O)C=1C#N"	"InChI=1S/C19H14ClN5O2/c1-12-16(11-21)18(26)25(24-14-7-3-2-4-8-14)19(27)17(12)23-22-15-9-5-6-13(20)10-15/h2-10,17,24H,1H3"	"MZEGKTMJLAIKKC-UHFFFAOYSA-N"	"?"
"4051"	"72150-93-7"	"2-Naphthalenesulfonic acid, 5-(or 8)-amino-8(or 5)-(phenylazo)-"	"DTXSID0072518"	"NC1=CC=C(N=NC2C=CC=CC=2)C2=CC(=CC=C21)S(O)(=O)=O"	"InChI=1S/C16H13N3O3S/c17-15-8-9-16(19-18-11-4-2-1-3-5-11)14-10-12(23(20,21)22)6-7-13(14)15/h1-10H,17H2,(H,20,21,22)"	"GYHKIXZQDCKUPI-UHFFFAOYSA-N"	"?"
"4052"	"113855-10-0"	"1-(2-(Decylthio)ethyl)azacyclopentane-2-one"	"DTXSID80150592"	"CCCCCCCCCCSCCN1CCCC1=O"	"InChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-9-14-19-15-13-17-12-10-11-16(17)18/h2-15H2,1H3"	"VDPRSOCKHVPZRS-UHFFFAOYSA-N"	"?"
"4053"	"68359-57-9"	"4-Fluoro-3-phenoxybenzaldehyde"	"DTXSID0073611"	"O=CC1C=C(OC2C=CC=CC=2)C(F)=CC=1"	"InChI=1S/C13H9FO2/c14-12-7-6-10(9-15)8-13(12)16-11-4-2-1-3-5-11/h1-9H"	"JDICMOLUAHZVDS-UHFFFAOYSA-N"	"?"
"4054"	"106-72-9"	"2,6-Dimethylhept-5-enal"	"DTXSID8044753"	"CC(CCC=C(C)C)C=O"	"InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3"	"YGFGZTXGYTUXBA-UHFFFAOYSA-N"	"?"
"4055"	"4654-26-6"	"Dioctyl terephthalate"	"DTXSID3021699"	"CCCCCCCCOC(=O)C1C=CC(=CC=1)C(=O)OCCCCCCCC"	"InChI=1S/C24H38O4/c1-3-5-7-9-11-13-19-27-23(25)21-15-17-22(18-16-21)24(26)28-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3"	"OEIWPNWSDYFMIL-UHFFFAOYSA-N"	"?"
"4056"	"981-40-8"	"p-tert-Butylphenyl diphenyl phosphate"	"DTXSID10274038"	"CC(C)(C)C1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"InChI=1S/C22H23O4P/c1-22(2,3)18-14-16-21(17-15-18)26-27(23,24-19-10-6-4-7-11-19)25-20-12-8-5-9-13-20/h4-17H,1-3H3"	"ULGAVXUJJBOWOD-UHFFFAOYSA-N"	"?"
"4057"	"34687-46-2"	"Cyclopentanone, 2-(2-hexen-1-yl)-"	"DTXSID50865727"	"CCCC=CCC1CCCC1=O"	"InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h4-5,10H,2-3,6-9H2,1H3"	"XXQYRQXKTWEIFQ-UHFFFAOYSA-N"	"?"
"4058"	"68808-70-8"	"Acetamide, 2,2'-(1H-isoindole-1,3(2H)-diylidene)bis[N-(4-chlorophenyl)-2-cyano-"	"DTXSID0071756"	"N#CC(C1=NC(=C(C#N)C(=O)NC2C=CC(Cl)=CC=2)C2C=CC=CC=21)C(=O)NC1C=CC(Cl)=CC=1"	"InChI=1S/C26H15Cl2N5O2/c27-15-5-9-17(10-6-15)31-25(34)21(13-29)23-19-3-1-2-4-20(19)24(33-23)22(14-30)26(35)32-18-11-7-16(28)8-12-18/h1-12,21H,(H,31,34)(H,32,35)"	"IJMDEVMSVDAHLL-UHFFFAOYSA-N"	"?"
"4059"	"NOCAS_862201"	"CERAPP_27963"	"DTXSID00862201"	"CC(Br)C(=O)Br"	"InChI=1S/C3H4Br2O/c1-2(4)3(5)6/h2H,1H3"	"ILLHORFDXDLILE-UHFFFAOYSA-N"	"?"
"4060"	"2455-45-0"			"CCP(=S)(OCC)OCC"	"InChI=1S/C6H15O2PS/c1-4-7-9(10,6-3)8-5-2/h4-6H2,1-3H3"	"QYCVXOPKANTCLT-UHFFFAOYSA-N"	"?"
"4061"	"98631-95-9"	"Sobuzoxane"	"DTXSID5045203"	"CC(C)COC(=O)OCN1C(=O)CN(CC1=O)CCN1CC(=O)N(COC(=O)OCC(C)C)C(=O)C1"	"InChI=1S/C22H34N4O10/c1-15(2)11-33-21(31)35-13-25-17(27)7-23(8-18(25)28)5-6-24-9-19(29)26(20(30)10-24)14-36-22(32)34-12-16(3)4/h15-16H,5-14H2,1-4H3"	"OCOKWVBYZHBHLU-UHFFFAOYSA-N"	"?"
"4062"	"67745-26-0"	"9(10H)-Anthracenone, 10,10',10''-(1,2,3-cyclopropanetriylidene)tris-"	"DTXSID0070576"	"O=C1C2C=CC=CC=2C(=C2C(=C3C4C=CC=CC=4C(=O)C4C=CC=CC=43)C2=C2C3C=CC=CC=3C(=O)C3C=CC=CC=32)C2C=CC=CC1=2"	"InChI=1S/C45H24O3/c46-43-31-19-7-1-13-25(31)37(26-14-2-8-20-32(26)43)40-41(38-27-15-3-9-21-33(27)44(47)34-22-10-4-16-28(34)38)42(40)39-29-17-5-11-23-35(29)45(48)36-24-12-6-18-30(36)39/h1-24H"	"ZBZCJIWUIBPLED-UHFFFAOYSA-N"	"?"
"4063"	"6809-52-5"	"Teprenone"	"DTXSID6048620"	"CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=O"	"InChI=1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3"	"HUCXKZBETONXFO-UHFFFAOYSA-N"	"?"
"4064"	"NOCAS_863814"	"CERAPP_32484"	"DTXSID00863814"	"O=C1C2=CC=C3C4C2=C(C=C2OCCOC5=CC6=C7C(=C5C2=4)C3=CC=C7C(=O)C2C=CC=CC6=2)C2C=CC=CC1=2"	"InChI=1S/C36H18O4/c37-35-21-7-3-1-5-17(21)25-15-27-33-31-19(9-11-23(35)29(25)31)20-10-12-24-30-26(18-6-2-4-8-22(18)36(24)38)16-28(34(33)32(20)30)40-14-13-39-27/h1-12,15-16H,13-14H2"	"YSQTVHQHQMTBHP-UHFFFAOYSA-N"	"?"
"4065"	"693-23-2"	"Dodecanedioic acid"	"DTXSID3027297"	"OC(=O)CCCCCCCCCCC(O)=O"	"InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)"	"TVIDDXQYHWJXFK-UHFFFAOYSA-N"	"?"
"4066"	"98519-16-5"	"1H-Imidazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-"	"DTXSID70243609"	"ClC1C=C(Cl)C2OC(=CC=2C=1)C1(CN2C=NC=C2)OCCCO1"	"InChI=1S/C16H14Cl2N2O3/c17-12-6-11-7-14(23-15(11)13(18)8-12)16(21-4-1-5-22-16)9-20-3-2-19-10-20/h2-3,6-8,10H,1,4-5,9H2"	"CXISOSYBSVEESX-UHFFFAOYSA-N"	"?"
"4067"	"19444-84-9"			"OC1OCCC1=O"	"InChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h4,6H,1-2H2"	"JQIIGVQREAWZBF-UHFFFAOYSA-N"	"?"
"4068"	"71042-71-2"	".beta.-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester"	"DTXSID0072227"	"CCCCOC(=O)CCN(CCCO)CCC(=O)OCCCC"	"InChI=1S/C17H33NO5/c1-3-5-14-22-16(20)8-11-18(10-7-13-19)12-9-17(21)23-15-6-4-2/h19H,3-15H2,1-2H3"	"ANVCGYUJBUYFDC-UHFFFAOYSA-N"	"?"
"4069"	"67697-49-8"	"Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]-"	"DTXSID0070570"	"CC1=C(C2=CC=CC=C2N1CCCC)C(=O)C1C=CC=CC=1C(O)=O"	"InChI=1S/C21H21NO3/c1-3-4-13-22-14(2)19(17-11-7-8-12-18(17)22)20(23)15-9-5-6-10-16(15)21(24)25/h5-12H,3-4,13H2,1-2H3,(H,24,25)"	"CCSUXQLIZFUPDW-UHFFFAOYSA-N"	"?"
"4070"	"100402-60-6"	"d-Glucose, ether with glycerol"	"DTXSID10143255"	"OC(CO)C(O)C(O)C(C=O)OC(C=O)C(O)C(O)C(O)CO"	"InChI=1S/C12H22O11/c13-1-5(17)9(19)11(21)7(3-15)23-8(4-16)12(22)10(20)6(18)2-14/h3-14,17-22H,1-2H2"	"SLXLBNNEMBRKON-UHFFFAOYSA-N"	"OC(CO)CO"
"4071"	"NOCAS_865853"	"CERAPP_39718"	"DTXSID00865853"	"CC(CC)C1CCCCC1(C#C)OC(C)=O"	"InChI=1S/C14H22O2/c1-5-11(3)13-9-7-8-10-14(13,6-2)16-12(4)15/h2,11,13H,5,7-10H2,1,3-4H3"	"PKVIIPGIGKYQFI-UHFFFAOYSA-N"	"?"
"4072"	"67499-52-9"	"3-Naphtho[1,2,3-de]quinoline-2,7-dione, 6-bromo-4-methyl-1-phenyl-"	"DTXSID0070497"	"CC1=CC(Br)=C2C(=O)C3C=CC=CC=3C3C(=C(O)N=C1C=32)C1C=CC=CC=1"	"InChI=1S/C23H14BrNO2/c1-12-11-16(24)19-20-18(14-9-5-6-10-15(14)22(19)26)17(23(27)25-21(12)20)13-7-3-2-4-8-13/h2-11H,1H3,(H,25,27)"	"NGLCGJZEUKMFNH-UHFFFAOYSA-N"	"?"
"4073"	"85559-57-5"			"CC1(C)C2CCC3(C)C(CC=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1OC(=O)C=CC(O)=O"	"InChI=1S/C34H50O6/c1-29(2)23-12-15-34(7)24(32(23,5)14-13-25(29)40-27(37)11-10-26(35)36)9-8-21-22-20-31(4,28(38)39)17-16-30(22,3)18-19-33(21,34)6/h8,10-11,22-25H,9,12-20H2,1-7H3,(H,35,36)(H,38,39)"	"FFIOELQXQHRGCH-UHFFFAOYSA-N"	"[Na+].[Na+]"
"4074"	"110964-79-9"	"Benzoic acid, 4-(methylsulfonyl)-2-nitro-"	"DTXSID0074639"	"CS(=O)(=O)C1=CC(=C(C=C1)C(O)=O)[N+]([O-])=O"	"InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)"	"QNOUABMNRMROSL-UHFFFAOYSA-N"	"?"
"4075"	"351197-46-1"	"2-[2-(Dimethylamino)ethoxy]ethyl ({5-[({2-[2-(dimethylamino)ethoxy]ethoxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamate"	"DTXSID60698427"	"CC1(C)CC(CC(C)(C1)CNC(=O)OCCOCCN(C)C)NC(=O)OCCOCCN(C)C"	"InChI=1S/C24H48N4O6/c1-23(2)16-20(26-22(30)34-15-13-32-11-9-28(6)7)17-24(3,18-23)19-25-21(29)33-14-12-31-10-8-27(4)5/h20H,8-19H2,1-7H3,(H,25,29)(H,26,30)"	"ALANNFAXTFZBEG-UHFFFAOYSA-N"	"?"
"4076"	"68920-66-1"			"CCOCCCCCCCCCCCCCCC=CCC"	"InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h5-6H,3-4,7-20H2,1-2H3"	"WBCCOWHDSAVXAO-UHFFFAOYSA-N"	"?"
"4077"	"47458-32-2"	"Octadecyl succinic anhydride"	"DTXSID00858785"	"CCCCCCCCCCCCCCCCCCC1CC(=O)OC1=O"	"InChI=1S/C22H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21(23)25-22(20)24/h20H,2-19H2,1H3"	"ZJFCVUTYZHUNSW-UHFFFAOYSA-N"	"?"
"4078"	"30129-28-3"	"Valeric acid, 2-propyl-, o-methoxyphenyl ester"	"DTXSID20184215"	"COC1C=CC=CC=1OC(=O)C(CCC)CCC"	"InChI=1S/C15H22O3/c1-4-8-12(9-5-2)15(16)18-14-11-7-6-10-13(14)17-3/h6-7,10-12H,4-5,8-9H2,1-3H3"	"SDHKUHUVCAPACE-UHFFFAOYSA-N"	"?"
"4079"	"4161-22-2"	"1-Propanol, 3-propoxy-"	"DTXSID0074346"	"CCCOCCCO"	"InChI=1S/C6H14O2/c1-2-5-8-6-3-4-7/h7H,2-6H2,1H3"	"LDMRLRNXHLPZJN-UHFFFAOYSA-N"	"?"
"4080"	"NOCAS_866047"	"CERAPP_40266"	"DTXSID00866047"	"CC1C=CC(CC(C)C=O)=CC=1"	"InChI=1S/C11H14O/c1-9-3-5-11(6-4-9)7-10(2)8-12/h3-6,8,10H,7H2,1-2H3"	"SGVBCLGVIOFAFT-UHFFFAOYSA-N"	"?"
"4081"	"80086-34-6"	"1H-Tetrazole-1-butanamide, N,N-diethyl-5-methyl-"	"DTXSID00230067"	"CC1=NN=NN1CCCC(=O)N(CC)CC"	"InChI=1S/C10H19N5O/c1-4-14(5-2)10(16)7-6-8-15-9(3)11-12-13-15/h4-8H2,1-3H3"	"NSFRQXZPDHOYJW-UHFFFAOYSA-N"	"?"
"4082"	"NOCAS_870785"	"CERAPP_55444"	"DTXSID00870785"	"CC(=O)OC1=CC=CC2=CC=CC=C21"	"InChI=1S/C12H10O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3"	"VGKONPUVOVVNSU-UHFFFAOYSA-N"	"?"
"4083"	"23433-07-0"	"1,3-Nonanediol"	"DTXSID60274149"	"CCCCCCC(O)CCO"	"InChI=1S/C9H20O2/c1-2-3-4-5-6-9(11)7-8-10/h9-11H,2-8H2,1H3"	"CGNJFUJNEYIYRZ-UHFFFAOYSA-N"	"?"
"4084"	"26364-65-8"	"2-Cyanoimino-1,3-thiazolidine"	"DTXSID50395231"	"N#CNC1=NCCS1"	"InChI=1S/C4H5N3S/c5-3-7-4-6-1-2-8-4/h1-2H2,(H,6,7)"	"WTUAWWLVVCGTRG-UHFFFAOYSA-N"	"?"
"4085"	"51287-57-1"	"Denotivir"	"DTXSID70199278"	"CC1=NSC(NC(=O)C2C=CC=CC=2)=C1C(=O)NC1C=CC(Cl)=CC=1"	"InChI=1S/C18H14ClN3O2S/c1-11-15(17(24)20-14-9-7-13(19)8-10-14)18(25-22-11)21-16(23)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,24)(H,21,23)"	"ZPBLNADJHWHOEP-UHFFFAOYSA-N"	"?"
"4086"	"814-89-1"	"Ethanedioic acid, cobalt(2+) salt (1:1)"	"DTXSID10883588"	"OC(=O)C(O)=O"	"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)"	"MUBZPKHOEPUJKR-UHFFFAOYSA-N"	"[Co+2]"
"4087"	"NOCAS_865479"	"CERAPP_38673"	"DTXSID00865479"	"CCC1C=CC=C(C)C=1C"	"InChI=1S/C10H14/c1-4-10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3"	"QUBBAXISAHIDNM-UHFFFAOYSA-N"	"?"
"4088"	"86087-23-2"			"OC1COCC1"	"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2"	"XDPCNPCKDGQBAN-UHFFFAOYSA-N"	"?"
"4089"	"632-79-1"	"Tetrabromophthalic anhydride"	"DTXSID6026084"	"O=C1OC(=O)C2=C1C(Br)=C(Br)C(Br)=C2Br"	"InChI=1S/C8Br4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11"	"QHWKHLYUUZGSCW-UHFFFAOYSA-N"	"?"
"4090"	"96719-44-7"			"FC(F)(F)C1C=C(C=CC=1)N1CCC2C=CC=CC=2C1C1C=CC=CC=1"	"InChI=1S/C22H18F3N/c23-22(24,25)18-10-6-11-19(15-18)26-14-13-16-7-4-5-12-20(16)21(26)17-8-2-1-3-9-17/h1-12,15,21H,13-14H2"	"MERSLHVVBXWHTM-UHFFFAOYSA-N"	"?"
"4091"	"65036-66-0"	"Benzenesulfonic acid, 4-chloro-3-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-"	"DTXSID0070154"	"CN(C)C1C=CC(C=C2C(=O)N(N=C2C)C2C=C(C=CC=2Cl)S(O)(=O)=O)=CC=1"	"InChI=1S/C19H18ClN3O4S/c1-12-16(10-13-4-6-14(7-5-13)22(2)3)19(24)23(21-12)18-11-15(28(25,26)27)8-9-17(18)20/h4-11H,1-3H3,(H,25,26,27)"	"CJLLDOWWBVHSAO-UHFFFAOYSA-N"	"?"
"4092"	"68957-68-6"	"1-Propanesulfonic acid, 3-[(2-cyanoethyl)thio]-"	"DTXSID0071912"	"N#CCCSCCCS(O)(=O)=O"	"InChI=1S/C6H11NO3S2/c7-3-1-4-11-5-2-6-12(8,9)10/h1-2,4-6H2,(H,8,9,10)"	"GOXFWRFDYIWNJD-UHFFFAOYSA-N"	"?"
"4093"	"73263-35-1"	"Benzamide, N-[5-(diethylamino)-4-methoxy-2-[[4-[(4-nitrophenyl)azo]-1-naphthalenyl]azo]phenyl]-"	"DTXSID0072726"	"COC1C=C(N=NC2=CC=C(N=NC3C=CC(=CC=3)[N+]([O-])=O)C3=CC=CC=C23)C(=CC=1N(CC)CC)NC(=O)C1C=CC=CC=1"	"InChI=1S/C34H31N7O4/c1-4-40(5-2)32-21-30(35-34(42)23-11-7-6-8-12-23)31(22-33(32)45-3)39-38-29-20-19-28(26-13-9-10-14-27(26)29)37-36-24-15-17-25(18-16-24)41(43)44/h6-22H,4-5H2,1-3H3,(H,35,42)"	"VFUPVQIVFQNYAG-UHFFFAOYSA-N"	"?"
"4094"	"1098-97-1"	"Pyrithioxine"	"DTXSID3048362"	"CC1=NC=C(CSSCC2C=NC(C)=C(O)C=2CO)C(CO)=C1O"	"InChI=1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3"	"SIXLXDIJGIWWFU-UHFFFAOYSA-N"	"?"
"4095"	"68274-52-2"	"6-Quinazolinecarboxylic acid, 1,4-dihydro-2-(2-ethoxy-5-methoxyphenyl)-4-oxo-"	"DTXSID40218425"	"COC1C=C(C2NC3=CC=C(C=C3C(=O)N=2)C(O)=O)C(=CC=1)OCC"	"InChI=1S/C18H16N2O5/c1-3-25-15-7-5-11(24-2)9-13(15)16-19-14-6-4-10(18(22)23)8-12(14)17(21)20-16/h4-9H,3H2,1-2H3,(H,22,23)(H,19,20,21)"	"FKBAPDCFZRVMEI-UHFFFAOYSA-N"	"?"
"4096"	"68912-13-0"	"3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate"	"DTXSID4052429"	"CCC(=O)OC1C=CC2C1C1CC2CC1"	"InChI=1S/C13H18O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h5-6,8-11,13H,2-4,7H2,1H3"	"BALAUIYKESNHDW-UHFFFAOYSA-N"	"?"
"4097"	"78467-44-4"	"2(1H)-Quinolinone, 4-methyl-7-(3-(4-(phenylmethyl)-1-piperidinyl)propoxy)-"	"DTXSID60229098"	"CC1=CC(=O)NC2=CC(=CC=C21)OCCCN1CCC(CC2C=CC=CC=2)CC1"	"InChI=1S/C25H30N2O2/c1-19-16-25(28)26-24-18-22(8-9-23(19)24)29-15-5-12-27-13-10-21(11-14-27)17-20-6-3-2-4-7-20/h2-4,6-9,16,18,21H,5,10-15,17H2,1H3,(H,26,28)"	"ZVIURFHDXIMZNQ-UHFFFAOYSA-N"	"?"
"4098"	"NOCAS_865373"	"CERAPP_38373"	"DTXSID00865373"	"CC1C=CC(=CC=1)NC1C=CC(=CC=1)NC1C=CC=CC=1C"	"InChI=1S/C20H20N2/c1-15-7-9-17(10-8-15)21-18-11-13-19(14-12-18)22-20-6-4-3-5-16(20)2/h3-14,21-22H,1-2H3"	"HPGLJHGYYVLNTR-UHFFFAOYSA-N"	"?"
"4099"	"68556-04-7"	"2-Naphthalenecarboxamide, N-(4-chloro-2-methylphenyl)-3-hydroxy-, monosodium salt"	"DTXSID0071675"	"CC1=CC(Cl)=CC=C1NC(=O)C1C=C2C=CC=CC2=CC=1O"	"InChI=1S/C18H14ClNO2/c1-11-8-14(19)6-7-16(11)20-18(22)15-9-12-4-2-3-5-13(12)10-17(15)21/h2-10,21H,1H3,(H,20,22)"	"PSRNXESQSJEQMN-UHFFFAOYSA-N"	"[Na+]"
"4100"	"62143-18-4"	"Carbamic acid, ethyl-, [[3-chloro-4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]di-2,1-ethanediyl ester"	"DTXSID0069545"	"CCNC(=O)OCCN(CCOC(=O)NCC)C1C=C(Cl)C(=CC=1)N=NC1C=CC(=CC=1Cl)[N+]([O-])=O"	"InChI=1S/C22H26Cl2N6O6/c1-3-25-21(31)35-11-9-29(10-12-36-22(32)26-4-2)15-5-7-19(17(23)13-15)27-28-20-8-6-16(30(33)34)14-18(20)24/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,31)(H,26,32)"	"DGBJBYKXBBGSAJ-UHFFFAOYSA-N"	"?"
"4101"	"224785-90-4"	"Vardenafil"	"DTXSID3048318"	"CC1N=C(CCC)N2NC(=NC(=O)C2=1)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(CC1)CC"	"InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)"	"SECKRCOLJRRGGV-UHFFFAOYSA-N"	"?"
"4102"	"28961-43-5"			"CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C"	"InChI=1S/C21H32O9/c1-5-18(22)28-12-9-25-15-21(8-4,16-26-10-13-29-19(23)6-2)17-27-11-14-30-20(24)7-3/h5-7H,1-3,8-17H2,4H3"	"MTPIZGPBYCHTGQ-UHFFFAOYSA-N"	"?"
"4103"	"142646-10-4"	"Carbamic acid, (((2-nitro-4-(phenylmethoxy)phenyl)amino)thioxomethyl)-, methyl ester"	"DTXSID80162115"	"COC(=O)NC(=S)NC1C=CC(=CC=1[N+]([O-])=O)OCC1C=CC=CC=1"	"InChI=1S/C16H15N3O5S/c1-23-16(20)18-15(25)17-13-8-7-12(9-14(13)19(21)22)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,18,20,25)"	"HKNLSQCEYUNPNG-UHFFFAOYSA-N"	"?"
"4104"	"68391-26-4"	"Benzoic acid, 2-(1H-benzimidazol-1-ylcarbonyl)-3,4,5,6-tetrachloro-"	"DTXSID0071461"	"OC(=O)C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C(=O)N1C=NC2=CC=CC=C12"	"InChI=1S/C15H6Cl4N2O3/c16-10-8(9(15(23)24)11(17)13(19)12(10)18)14(22)21-5-20-6-3-1-2-4-7(6)21/h1-5H,(H,23,24)"	"LSXSFYOXBYEKGC-UHFFFAOYSA-N"	"?"
"4105"	"26761-45-5"	"2,3-Epoxypropyl neodecanoate"	"DTXSID8025705"	"CC(C)CCC(C)(CC)C(=O)OCC1CO1"	"InChI=1S/C13H24O3/c1-5-13(4,7-6-10(2)3)12(14)16-9-11-8-15-11/h10-11H,5-9H2,1-4H3"	"DHEHEJGXTUCSQF-UHFFFAOYSA-N"	"?"
"4106"	"63450-54-4"	"Benzo[f]quinoline-1-carboxylic acid, 3-(2-hydroxyphenyl)-8-sulfo-, monosodium salt"	"DTXSID0069834"	"OC(=O)C1=CC(=NC2C=CC3=CC(=CC=C3C=21)S(O)(=O)=O)C1=CC=CC=C1O"	"InChI=1S/C20H13NO6S/c22-18-4-2-1-3-14(18)17-10-15(20(23)24)19-13-7-6-12(28(25,26)27)9-11(13)5-8-16(19)21-17/h1-10,22H,(H,23,24)(H,25,26,27)"	"XILPFXSKPIXATN-UHFFFAOYSA-N"	"[Na+]"
"4107"	"53939-28-9"	"(Z)-11-Hexadecenal"	"DTXSID1032303"	"CCCCC=CCCCCCCCCCC=O"	"InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3"	"AMTITFMUKRZZEE-UHFFFAOYSA-N"	"?"
"4108"	"3740-92-9"	"Fenclorim [ISO]"	"DTXSID90190843"	"ClC1C=C(Cl)N=C(N=1)C1C=CC=CC=1"	"InChI=1S/C10H6Cl2N2/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-6H"	"NRFQZTCQAYEXEE-UHFFFAOYSA-N"	"?"
"4109"	"532-32-1"	"Sodium benzoate"	"DTXSID1020140"	"OC(=O)C1C=CC=CC=1"	"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)"	"WPYMKLBDIGXBTP-UHFFFAOYSA-N"	"[Na+]"
"4110"	"NOCAS_864088"	"CERAPP_33097"	"DTXSID00864088"	"CC(C)=CCCC(C)CCOC(=O)CCCC"	"InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3"	"PFOJEJPZUVQHEH-UHFFFAOYSA-N"	"?"
"4111"	"71173-77-8"	"1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-"	"DTXSID0072277"	"OC(=O)C1CC(=O)N=N1"	"InChI=1S/C4H4N2O3/c7-3-1-2(4(8)9)5-6-3/h2H,1H2,(H,8,9)"	"UBBRBXDEXJGBBV-UHFFFAOYSA-N"	"?"
"4112"	"1173-88-2"	"Oxacillin sodium salt"	"DTXSID9048980"	"CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1C=CC=CC=1"	"InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)"	"UWYHMGVUTGAWSP-UHFFFAOYSA-N"	"[Na+]"
"4113"	"55232-77-4"	"Benzenecarboximidamide, N-cyclohexyl-N'-(4-fluorophenyl)-, monohydrochloride"	"DTXSID30203744"	"FC1C=CC(=CC=1)N/C(=N/C1CCCCC1)/C1C=CC=CC=1"	"InChI=1S/C19H21FN2/c20-16-11-13-18(14-12-16)22-19(15-7-3-1-4-8-15)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,21,22)"	"XATAUFWLRNLNNE-UHFFFAOYSA-N"	"Cl"
"4114"	"65416-16-2"	"3-Methyl-3-pentenyl isobutyrate"	"DTXSID0070316"	"CC(CCOC(=O)C(C)C)=CC"	"InChI=1S/C10H18O2/c1-5-9(4)6-7-12-10(11)8(2)3/h5,8H,6-7H2,1-4H3"	"VPIXOJWXVMGOMY-UHFFFAOYSA-N"	"?"
"4115"	"106790-31-2"	"Benzenamine, 4-isocyanato-N,N-bis(4-isocyanatophenyl)-2,5-dimethoxy-"	"DTXSID0073033"	"COC1=CC(N=C=O)=C(C=C1N(C1C=CC(=CC=1)N=C=O)C1C=CC(=CC=1)N=C=O)OC"	"InChI=1S/C23H16N4O5/c1-31-22-12-21(23(32-2)11-20(22)26-15-30)27(18-7-3-16(4-8-18)24-13-28)19-9-5-17(6-10-19)25-14-29/h3-12H,1-2H3"	"AICHIFMREFAQPW-UHFFFAOYSA-N"	"?"
"4116"	"68310-68-9"	"Propanenitrile, 3-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]-"	"DTXSID0071417"	"NCCNCCNCCNCCC#N"	"InChI=1S/C9H21N5/c10-2-1-4-12-6-8-14-9-7-13-5-3-11/h12-14H,1,3-9,11H2"	"IHUXKNVDSOLKCH-UHFFFAOYSA-N"	"?"
"4117"	"NOCAS_863339"	"CERAPP_31238"	"DTXSID00863339"	"CCN1N=C2C3=C1C1C=CC=CC=1C(=O)C3=CC=C2C1=CC=C2C3=C(C4C=CC=CC=4C2=O)N(CC)N=C13"	"InChI=1S/C32H22N4O2/c1-3-35-29-19-9-5-7-11-21(19)31(37)23-15-13-17(27(33-35)25(23)29)18-14-16-24-26-28(18)34-36(4-2)30(26)20-10-6-8-12-22(20)32(24)38/h5-16H,3-4H2,1-2H3"	"ARCAURIQGNHJJN-UHFFFAOYSA-N"	"?"
"4118"	"56924-18-6"			"CCCCCCCN(CC(O)C1=CC2C=CC=CC=2C2=CC(Br)=CC=C12)CCCCCCC"	"InChI=1S/C30H42BrNO/c1-3-5-7-9-13-19-32(20-14-10-8-6-4-2)23-30(33)29-21-24-15-11-12-16-26(24)28-22-25(31)17-18-27(28)29/h11-12,15-18,21-22,30,33H,3-10,13-14,19-20,23H2,1-2H3"	"BWNCHMAKZSGSMP-UHFFFAOYSA-N"	"?"
"4119"	"NOCAS_862721"	"CERAPP_29589"	"DTXSID00862721"	"CC(C[Si](C)(Cl)Cl)CCl"	"InChI=1S/C5H11Cl3Si/c1-5(3-6)4-9(2,7)8/h5H,3-4H2,1-2H3"	"JEISLJAYCUUJDU-UHFFFAOYSA-N"	"?"
"4120"	"52152-93-9"	"Cefsulodin sodium"	"DTXSID6045585"	"NC(=O)C1C=C[N+](CC2CSC3C(NC(=O)C(C4C=CC=CC=4)S(O)(=O)=O)C(=O)N3C=2C(O)=O)=CC=1"	"InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p+1"	"SYLKGLMBLAAGSC-UHFFFAOYSA-O"	"[Na+]"
"4121"	"82692-44-2"	"Benzofenap"	"DTXSID5058193"	"CC1C=CC(=CC=1)C(=O)COC1=C(C(=O)C2=CC=C(Cl)C(C)=C2Cl)C(C)=NN1C"	"InChI=1S/C22H20Cl2N2O3/c1-12-5-7-15(8-6-12)18(27)11-29-22-19(14(3)25-26(22)4)21(28)16-9-10-17(23)13(2)20(16)24/h5-10H,11H2,1-4H3"	"JDWQITFHZOBBFE-UHFFFAOYSA-N"	"?"
"4122"	"67800-91-3"	"Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-, ethyl sulfate"	"DTXSID0070605"	"C/C(/C=C1\SC2C=CC=CC=2N\1CC)=C\C1SC2=CC=CC=C2[N+]=1CC"	"InChI=1S/C22H23N2S2/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22/h6-15H,4-5H2,1-3H3/q+1"	"DGBHUSPLAMIWPQ-UHFFFAOYSA-N"	"S(OCC)(=O)(=O)[O-]"
"4123"	"68540-79-4"	"Acetamide, N-[5-[(butylamino)sulfonyl]-2-methoxyphenyl]-"	"DTXSID0071629"	"CC(=O)NC1C=C(C=CC=1OC)S(=O)(=O)NCCCC"	"InChI=1S/C13H20N2O4S/c1-4-5-8-14-20(17,18)11-6-7-13(19-3)12(9-11)15-10(2)16/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16)"	"BVTDOTROSKUSHO-UHFFFAOYSA-N"	"?"
"4124"	"119-80-2"	"Benzoic acid, 2,2'-dithiobis-"	"DTXSID1059498"	"OC(=O)C1C=CC=CC=1SSC1C=CC=CC=1C(O)=O"	"InChI=1S/C14H10O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)"	"LBEMXJWGHIEXRA-UHFFFAOYSA-N"	"?"
"4125"	"106917-60-6"	"1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl-"	"DTXSID0073035"	"CC1=CC=C(N)C=C1NC(C)(C)C"	"InChI=1S/C11H18N2/c1-8-5-6-9(12)7-10(8)13-11(2,3)4/h5-7,13H,12H2,1-4H3"	"LQIOQITTZDEHKW-UHFFFAOYSA-N"	"?"
"4126"	"98518-98-0"	"1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-, monohydrochloride"	"DTXSID50243602"	"C(N1C=NC=N1)C1(OCCCO1)C1=CC2=CC=CC=C2O1"	"InChI=1S/C15H15N3O3/c1-2-5-13-12(4-1)8-14(21-13)15(19-6-3-7-20-15)9-18-11-16-10-17-18/h1-2,4-5,8,10-11H,3,6-7,9H2"	"QONLNYKQICMQRS-UHFFFAOYSA-N"	"Cl"
"4127"	"50765-75-8"			"CC(C)=CCC(CCN1CCCCC1)(C#N)C1C=CC=C2C=CC=CC2=1"	"InChI=1S/C24H30N2/c1-20(2)13-14-24(19-25,15-18-26-16-6-3-7-17-26)23-12-8-10-21-9-4-5-11-22(21)23/h4-5,8-13H,3,6-7,14-18H2,1-2H3"	"CALIREOTOJOLDK-UHFFFAOYSA-N"	"Cl"
"4128"	"91524-15-1"	"Irloxacin"	"DTXSID10238610"	"CCN1C=C(C(O)=O)C(=O)C2C=C(F)C(=CC1=2)N1C=CC=C1"	"InChI=1S/C16H13FN2O3/c1-2-18-9-11(16(21)22)15(20)10-7-12(17)14(8-13(10)18)19-5-3-4-6-19/h3-9H,2H2,1H3,(H,21,22)"	"RZLHGQLYNZQZQQ-UHFFFAOYSA-N"	"?"
"4129"	"13403-01-5"	"Butanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-"	"DTXSID50864396"	"CC(C)(CC)C1C=C(C=CC=1OC(CC)C(O)=O)C(C)(C)CC"	"InChI=1S/C20H32O3/c1-8-16(18(21)22)23-17-12-11-14(19(4,5)9-2)13-15(17)20(6,7)10-3/h11-13,16H,8-10H2,1-7H3,(H,21,22)"	"PHCYXPLSQNMCRY-UHFFFAOYSA-N"	"?"
"4130"	"1307233-94-8"	"Ethyl N-[2-(chloromethyl)-1-methyl-1H-benzimidazole-5-carbonyl]-N-pyridin-2-yl-beta-alaninate"	"DTXSID60680640"	"CN1C(CCl)=NC2=CC(=CC=C12)C(=O)N(CCC(=O)OCC)C1=CC=CC=N1"	"InChI=1S/C20H21ClN4O3/c1-3-28-19(26)9-11-25(17-6-4-5-10-22-17)20(27)14-7-8-16-15(12-14)23-18(13-21)24(16)2/h4-8,10,12H,3,9,11,13H2,1-2H3"	"ATDFBDBECQOWSX-UHFFFAOYSA-N"	"?"
"4131"	"67828-21-1"	"2-Naphthalenecarboxamide, N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-"	"DTXSID0070653"	"COC1C=CC(=CC=1N=NC1C(O)=C(C=C2C=CC=CC2=1)C(=O)NC1C=C(Cl)C=CC=1OC)[N+]([O-])=O"	"InChI=1S/C25H19ClN4O6/c1-35-21-9-7-15(26)12-19(21)27-25(32)18-11-14-5-3-4-6-17(14)23(24(18)31)29-28-20-13-16(30(33)34)8-10-22(20)36-2/h3-13,31H,1-2H3,(H,27,32)"	"LBHPJEIHPAGFBM-UHFFFAOYSA-N"	"?"
"4132"	"68921-81-3"	"2-Anthracenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-, monosodium salt"	"DTXSID0071839"	"CC1=CC=CC=C1NC(=O)C1C=C2C=C3C=CC=CC3=CC2=CC=1O"	"InChI=1S/C22H17NO2/c1-14-6-2-5-9-20(14)23-22(25)19-12-17-10-15-7-3-4-8-16(15)11-18(17)13-21(19)24/h2-13,24H,1H3,(H,23,25)"	"XCDIDHPTOCAKAB-UHFFFAOYSA-N"	"[Na+]"
"4133"	"68140-99-8"	"2,5-Di-o-toluidinoterephthalic acid"	"DTXSID0071178"	"CC1C=CC=CC=1NC1C=C(C(=CC=1C(O)=O)NC1C=CC=CC=1C)C(O)=O"	"InChI=1S/C22H20N2O4/c1-13-7-3-5-9-17(13)23-19-11-16(22(27)28)20(12-15(19)21(25)26)24-18-10-6-4-8-14(18)2/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)"	"XJNWPYYRBAQKNJ-UHFFFAOYSA-N"	"?"
"4134"	"127-33-3"	"Demeclocycline"	"DTXSID1022893"	"CN(C)C1C2CC3C(O)C4C(Cl)=CC=C(O)C=4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O"	"InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)"	"FMTDIUIBLCQGJB-UHFFFAOYSA-N"	"?"
"4135"	"80087-02-1"	"Pyridine, 4-((3-((1-methyl-1H-tetrazol-5-yl)thio)propyl)thio)-"	"DTXSID90230071"	"CN1N=NN=C1SCCCSC1C=CN=CC=1"	"InChI=1S/C10H13N5S2/c1-15-10(12-13-14-15)17-8-2-7-16-9-3-5-11-6-4-9/h3-6H,2,7-8H2,1H3"	"OMHHOYKQSMBZOO-UHFFFAOYSA-N"	"?"
"4136"	"68016-01-3"	"1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate"	"DTXSID0070990"	"CCN1CC[N+](CCNC(=O)CCCCCCCC=CCCCCCCCC)=C1CCCCCCCC=CCCCCCCCC"	"InChI=1S/C42H79N3O/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)43-37-38-45-40-39-44(6-3)42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h19-22H,4-18,23-40H2,1-3H3/p+1"	"GDXGIRZTDSUANP-UHFFFAOYSA-O"	"S(OCC)(=O)(=O)[O-]"
"4137"	"106092-09-5"			"NC1=NC2CCC(N)CC=2S1"	"InChI=1S/C7H11N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h4H,1-3,8H2,(H2,9,10)"	"DRRYZHHKWSHHFT-UHFFFAOYSA-N"	"?"
"4138"	"827-52-1"	"Cyclohexylbenzene"	"DTXSID3061188"	"C1CCCCC1C1C=CC=CC=1"	"InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2"	"IGARGHRYKHJQSM-UHFFFAOYSA-N"	"?"
"4139"	"NOCAS_866320"	"CERAPP_41025"	"DTXSID00866320"	"CCOC(=O)C(C)CC=C"	"InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3"	"BDBGKYIBDXAVMX-UHFFFAOYSA-N"	"?"
"4140"	"NOCAS_864124"	"CERAPP_33242"	"DTXSID00864124"	"CC(CCCC(C)(C)O)CC(OCC)OCC"	"InChI=1S/C14H30O3/c1-6-16-13(17-7-2)11-12(3)9-8-10-14(4,5)15/h12-13,15H,6-11H2,1-5H3"	"XOJDKWNFMFCXNE-UHFFFAOYSA-N"	"?"
"4141"	"67905-60-6"	"2-Anthracenesulfonic acid, 1-amino-4-[[4-[(dimethylamino)methyl]phenyl]amino]-9,10-dihydro-9,10-dioxo-, monosodium salt"	"DTXSID0070815"	"CN(C)CC1C=CC(=CC=1)NC1=CC(=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O"	"InChI=1S/C23H21N3O5S/c1-26(2)12-13-7-9-14(10-8-13)25-17-11-18(32(29,30)31)21(24)20-19(17)22(27)15-5-3-4-6-16(15)23(20)28/h3-11,25H,12,24H2,1-2H3,(H,29,30,31)"	"UKRQXIKAHGYULJ-UHFFFAOYSA-N"	"[Na+]"
"4142"	"NOCAS_862781"	"CERAPP_29770"	"DTXSID00862781"	"CC1(C)CCC(C)(C)C2C=C3COCC(C)C3=CC1=2"	"InChI=1S/C18H26O/c1-12-10-19-11-13-8-15-16(9-14(12)13)18(4,5)7-6-17(15,2)3/h8-9,12H,6-7,10-11H2,1-5H3"	"HIEQGQHLWHRFOV-UHFFFAOYSA-N"	"?"
"4143"	"NOCAS_871631"	"CERAPP_60840"	"DTXSID00871631"	"FC(F)(F)C1(F)C2(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F"	"InChI=1S/C11F20/c12-1-2(13,6(19,20)10(27,28)9(25,26)4(1,15)16)5(17,18)8(23,24)7(21,22)3(1,14)11(29,30)31"	"LWRNQOBXRHWPGE-UHFFFAOYSA-N"	"?"
"4144"	"7289-52-3"	"Decane, 1-methoxy-"	"DTXSID6064616"	"CCCCCCCCCCOC"	"InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3"	"JPEWDCTZJFUITH-UHFFFAOYSA-N"	"?"
"4145"	"96036-03-2"	"Meropenem"	"DTXSID7045526"	"CN(C)C(=O)C1CC(CN1)SC1C(C)C2C(C(C)O)C(=O)N2C=1C(O)=O"	"InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)"	"DMJNNHOOLUXYBV-UHFFFAOYSA-N"	"?"
"4146"	"68958-99-6"	"Benzenesulfonic acid, 3-[[3-methoxy-4-[[[[2-methoxy-5-methyl-4-[(3-sulfophenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]-, disodium salt"	"DTXSID0071918"	"CC1=CC(NC(=O)NC2=CC=C(C=C2OC)N=NC2=CC(=CC=C2)S(O)(=O)=O)=C(C=C1N=NC1C=C(C=CC=1)S(O)(=O)=O)OC"	"InChI=1S/C28H26N6O9S2/c1-17-12-25(27(43-3)16-24(17)34-33-19-7-5-9-22(14-19)45(39,40)41)30-28(35)29-23-11-10-20(15-26(23)42-2)32-31-18-6-4-8-21(13-18)44(36,37)38/h4-16H,1-3H3,(H2,29,30,35)(H,36,37,38)(H,39,40,41)"	"GXVNLESWSGERFK-UHFFFAOYSA-N"	"[Na+].[Na+]"
"4147"	"56-53-1"	"Diethylstilbestrol"	"DTXSID3020465"	"CCC(C1C=CC(O)=CC=1)=C(CC)C1C=CC(O)=CC=1"	"InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3"	"RGLYKWWBQGJZGM-UHFFFAOYSA-N"	"?"
"4148"	"65369-95-1"	"Benzamide, N-[3-[(2-hydroxyethyl)sulfonyl]phenyl]-4-nitro-"	"DTXSID0070310"	"[O-][N+](=O)C1C=CC(=CC=1)C(=O)NC1C=C(C=CC=1)S(=O)(=O)CCO"	"InChI=1S/C15H14N2O6S/c18-8-9-24(22,23)14-3-1-2-12(10-14)16-15(19)11-4-6-13(7-5-11)17(20)21/h1-7,10,18H,8-9H2,(H,16,19)"	"QJFXNNDXHRPNFO-UHFFFAOYSA-N"	"?"
"4149"	"NOCAS_864462"	"CERAPP_35018"	"DTXSID00864462"	"CC1(C)OC(C)(CCC1O)C=C"	"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3"	"BCTBAGTXFYWYMW-UHFFFAOYSA-N"	"?"
"4150"	"63982-03-6"	"1-Heptadecanaminium, N,N,N-trimethyl-, methyl sulfate"	"DTXSID0070029"	"CCCCCCCCCCCCCCCCC[N+](C)(C)C"	"InChI=1S/C20H44N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4/h5-20H2,1-4H3/q+1"	"KENBDIBVUKXMTB-UHFFFAOYSA-N"	"S(OC)(=O)(=O)[O-]"
"4151"	"119-53-9"	"Benzoin"	"DTXSID1020144"	"OC(C(=O)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H"	"ISAOCJYIOMOJEB-UHFFFAOYSA-N"	"?"
"4152"	"74011-58-8"	"Enoxacin"	"DTXSID5022984"	"CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1"	"InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)"	"IDYZIJYBMGIQMJ-UHFFFAOYSA-N"	"?"
"4153"	"NOCAS_863410"	"CERAPP_31429"	"DTXSID00863410"	"CC(CO)C=C"	"InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3"	"NVGOATMUHKIQQG-UHFFFAOYSA-N"	"?"
"4154"	"80464-03-5"			"CN1N=NN=C1SCCCC(=O)NCC1=CC=CO1"	"InChI=1S/C11H15N5O2S/c1-16-11(13-14-15-16)19-7-3-5-10(17)12-8-9-4-2-6-18-9/h2,4,6H,3,5,7-8H2,1H3,(H,12,17)"	"IZQBIHAPLPPWQA-UHFFFAOYSA-N"	"?"
"4155"	"34258-79-2"	"W7477"	"DTXSID00187825"	"CN1C(=C(O)C2C=CC=CC=2S1(=O)=O)C(=O)NC1C=CC=CC=1"	"InChI=1S/C16H14N2O4S/c1-18-14(16(20)17-11-7-3-2-4-8-11)15(19)12-9-5-6-10-13(12)23(18,21)22/h2-10,19H,1H3,(H,17,20)"	"PGUHYTRMLNGOQQ-UHFFFAOYSA-N"	"?"
"4156"	"6528-34-3"	"Pigment Yellow 65"	"DTXSID0052336"	"CC(=O)C(N=NC1=CC=C(C=C1[N+]([O-])=O)OC)C(=O)NC1=CC=CC=C1OC"	"InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-14-6-4-5-7-16(14)28-3)21-20-13-9-8-12(27-2)10-15(13)22(25)26/h4-10,17H,1-3H3,(H,19,24)"	"UFORAEIAYCSGCR-UHFFFAOYSA-N"	"?"
"4157"	"86261-90-7"	"2-Propenoic acid, 2-methyl-, 2-(2-oxo-1-imidazolidinyl)ethyl ester"	"DTXSID0074635"	"CC(=C)C(=O)OCCN1CCNC1=O"	"InChI=1S/C9H14N2O3/c1-7(2)8(12)14-6-5-11-4-3-10-9(11)13/h1,3-6H2,2H3,(H,10,13)"	"PFPUZMSQZJFLBK-UHFFFAOYSA-N"	"?"
"4158"	"2240-41-7"	"Phosphonic acid, phenyl-, O,O-dimethyl ester"	"DTXSID20176933"	"COP(=O)(OC)C1C=CC=CC=1"	"InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3"	"OXDOANYFRLHSML-UHFFFAOYSA-N"	"?"
"4159"	"NOCAS_866108"	"CERAPP_40410"	"DTXSID00866108"	"CC1SSCCS1"	"InChI=1S/C4H8S3/c1-4-5-2-3-6-7-4/h4H,2-3H2,1H3"	"UXPUEXDAOSQIQS-UHFFFAOYSA-N"	"?"
"4160"	"84029-45-8"	"Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate"	"DTXSID20232907"	"CC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C14H12N2O6S/c1-9-2-3-10(8-13(9)16(18)19)14(17)15-11-4-6-12(7-5-11)23(20,21)22/h2-8H,1H3,(H,15,17)(H,20,21,22)"	"RLVVHEISMLHVND-UHFFFAOYSA-N"	"[Na+]"
"4161"	"13501-76-3"	"(3-Chloropropyl)diethoxymethylsilane"	"DTXSID00159204"	"C[Si](CCCCl)(OCC)OCC"	"InChI=1S/C8H19ClO2Si/c1-4-10-12(3,11-5-2)8-6-7-9/h4-8H2,1-3H3"	"KEZMLECYELSZDC-UHFFFAOYSA-N"	"?"
"4162"	"NOCAS_867413"	"CERAPP_43585"	"DTXSID00867413"	"CC(C)CCCC(C)OC(C)=O"	"InChI=1S/C10H20O2/c1-8(2)6-5-7-9(3)12-10(4)11/h8-9H,5-7H2,1-4H3"	"JNRDWRMJYGDQQE-UHFFFAOYSA-N"	"?"
"4163"	"34580-74-0"	"Ethanol, 2-((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)- (9CI)"	"DTXSID70188142"	"OCCOC1=NN(C2=NC=CC=C21)C1C=C(C=CC=1)C(F)(F)F"	"InChI=1S/C15H12F3N3O2/c16-15(17,18)10-3-1-4-11(9-10)21-13-12(5-2-6-19-13)14(20-21)23-8-7-22/h1-6,9,22H,7-8H2"	"IOLVNDULVQTBBV-UHFFFAOYSA-N"	"?"
"4164"	"105-89-5"			"CC(=C)CCCC(C)CCOC(=O)CC"	"InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h12H,2,5-10H2,1,3-4H3"	"HIOFEMJTKIEZFX-UHFFFAOYSA-N"	"?"
"4165"	"467-69-6"	"Flurenol"	"DTXSID0075029"	"OC(=O)C1(O)C2C=CC=CC=2C2C=CC=CC1=2"	"InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)"	"GXAMYUGOODKVRM-UHFFFAOYSA-N"	"?"
"4166"	"63233-53-4"	"Hexanamide, N-(3-nitro-4-(2-pyridinylmethyl)phenyl)-"	"DTXSID30212614"	"CCCCCC(=O)NC1C=C(C(CC2=CC=CC=N2)=CC=1)[N+]([O-])=O"	"InChI=1S/C18H21N3O3/c1-2-3-4-8-18(22)20-16-10-9-14(17(13-16)21(23)24)12-15-7-5-6-11-19-15/h5-7,9-11,13H,2-4,8,12H2,1H3,(H,20,22)"	"KTMLPHTWWLQKPI-UHFFFAOYSA-N"	"?"
"4167"	"21302-09-0"	"Didodecyl phosphonate"	"DTXSID6051859"	"CCCCCCCCCCCCOP(=O)OCCCCCCCCCCCC"	"InChI=1S/C24H51O3P/c1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2/h28H,3-24H2,1-2H3"	"KQWYQZYVKPPMBX-UHFFFAOYSA-N"	"?"
"4168"	"68540-61-4"	"Peroxide, 1-methyl-1-[4-methyl-2(or 3)-(1-methylethyl)phenyl]ethyl 1-methyl-1-phenylethyl"	"DTXSID0071627"	"CC1C=CC(=CC=1C(C)C)C(C)(C)OOC(C)(C)C1C=CC=CC=1"	"InChI=1S/C22H30O2/c1-16(2)20-15-19(14-13-17(20)3)22(6,7)24-23-21(4,5)18-11-9-8-10-12-18/h8-16H,1-7H3"	"SVGYJYJUDXTBFT-UHFFFAOYSA-N"	"?"
"4169"	"86864-93-9"	"Phosphoric acid, bis(2,4-dimethylphenyl) 2,4,6-trimethylphenyl ester"	"DTXSID0072938"	"CC1C=C(C)C=C(C)C=1OP(=O)(OC1=CC=C(C)C=C1C)OC1=CC=C(C)C=C1C"	"InChI=1S/C25H29O4P/c1-16-8-10-23(19(4)12-16)27-30(26,28-24-11-9-17(2)13-20(24)5)29-25-21(6)14-18(3)15-22(25)7/h8-15H,1-7H3"	"VEYSNNZQNBBQLO-UHFFFAOYSA-N"	"?"
"4170"	"50876-31-8"	"cyclohexane, 1,1,3,5-tetramethyl-, trans-"	"DTXSID70880639"	"CC1(C)CC(C)CC(C)C1"	"InChI=1S/C10H20/c1-8-5-9(2)7-10(3,4)6-8/h8-9H,5-7H2,1-4H3"	"WOJSMJIXPQLESQ-UHFFFAOYSA-N"	"?"
"4171"	"73179-37-0"	"Bis(2,6-xylyl) 2,4,6-trimethylphenyl phosphate"	"DTXSID0072720"	"CC1C=C(C)C(OP(=O)(OC2C(C)=CC=CC=2C)OC2C(C)=CC=CC=2C)=C(C)C=1"	"InChI=1S/C25H29O4P/c1-16-14-21(6)25(22(7)15-16)29-30(26,27-23-17(2)10-8-11-18(23)3)28-24-19(4)12-9-13-20(24)5/h8-15H,1-7H3"	"NUKOOAMABQWBHG-UHFFFAOYSA-N"	"?"
"4172"	"NOCAS_863172"	"CERAPP_30806"	"DTXSID00863172"	"CC(=O)OC(C)(C)C1C=CC=CC=1"	"InChI=1S/C11H14O2/c1-9(12)13-11(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3"	"XPMMKIYJJWQFOR-UHFFFAOYSA-N"	"?"
"4173"	"71216-03-0"	"Carbonic acid, (1-methylethylidene)bis(2,6-dibromo-4,1-phenylene) bis(pentabromophenyl) ester"	"DTXSID0072308"	"CC(C)(C1=CC(Br)=C(OC(=O)OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C1)C1=CC(Br)=C(OC(=O)OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C1"	"InChI=1S/C29H10Br14O6/c1-29(2,7-3-9(30)23(10(31)4-7)46-27(44)48-25-19(40)15(36)13(34)16(37)20(25)41)8-5-11(32)24(12(33)6-8)47-28(45)49-26-21(42)17(38)14(35)18(39)22(26)43/h3-6H,1-2H3"	"NUMCIRUBNXCHTA-UHFFFAOYSA-N"	"?"
"4174"	"NOCAS_871833"	"CERAPP_62167"	"DTXSID00871833"	"O=C1C=CC(=O)C2C3CC(C=C3)C12"	"InChI=1S/C11H10O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-4,6-7,10-11H,5H2"	"FQLRTGXTYFCECH-UHFFFAOYSA-N"	"?"
"4175"	"5301-65-5"			"COP(=O)(CC)OCC"	"InChI=1S/C5H13O3P/c1-4-8-9(6,5-2)7-3/h4-5H2,1-3H3"	"GYWPLJQMSDXQDK-UHFFFAOYSA-N"	"?"
"4176"	"111-05-7"	"9-Octadecenamide, N-(2-hydroxypropyl)-, (9Z)-"	"DTXSID90883304"	"CCCCCCCCC=CCCCCCCCC(=O)NCC(C)O"	"InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)"	"UDZAXLGLNUMCRX-UHFFFAOYSA-N"	"?"
"4177"	"63467-35-6"	"Ethanesulfonic acid, 2-(methylamino)-, hydrochloride, monosodium salt"	"DTXSID0069880"	"CNCCS(O)(=O)=O"	"InChI=1S/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)"	"SUZRRICLUFMAQD-UHFFFAOYSA-N"	"[Na+].Cl"
"4178"	"NOCAS_861855"	"CERAPP_27158"	"DTXSID00861855"	"C=CCC1C=CC=CC=1"	"InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2"	"HJWLCRVIBGQPNF-UHFFFAOYSA-N"	"?"
"4179"	"68391-44-6"	"Ethanol, 2-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-1-naphthalenyl]amino]-"	"DTXSID0071467"	"[O-][N+](=O)C1C=C(Br)C(N=NC2C=CC(NCCO)=C3C=CC=CC=23)=C(C=1)[N+]([O-])=O"	"InChI=1S/C18H14BrN5O5/c19-14-9-11(23(26)27)10-17(24(28)29)18(14)22-21-16-6-5-15(20-7-8-25)12-3-1-2-4-13(12)16/h1-6,9-10,20,25H,7-8H2"	"VWGJTRUCDOJLSW-UHFFFAOYSA-N"	"?"
"4180"	"75272-39-8"	"Nemonapride"	"DTXSID0042612"	"CC1C(CCN1CC1C=CC=CC=1)NC(=O)C1C=C(Cl)C(=CC=1OC)NC"	"InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)"	"KRVOJOCLBAAKSJ-UHFFFAOYSA-N"	"?"
"4181"	"5834-96-8"	"Azothoate"	"DTXSID8041616"	"COP(=S)(OC1C=CC(=CC=1)N=NC1C=CC(Cl)=CC=1)OC"	"InChI=1S/C14H14ClN2O3PS/c1-18-21(22,19-2)20-14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3"	"DCEAEHHJGXAROU-UHFFFAOYSA-N"	"?"
"4182"	"54903-61-6"	"2(3H)-Benzoxazolone, 6-acetyl-3-methyl-"	"DTXSID10203424"	"CC(=O)C1=CC2OC(=O)N(C)C=2C=C1"	"InChI=1S/C10H9NO3/c1-6(12)7-3-4-8-9(5-7)14-10(13)11(8)2/h3-5H,1-2H3"	"SZALAYSSIMHXRU-UHFFFAOYSA-N"	"?"
"4183"	"NOCAS_866269"	"CERAPP_40872"	"DTXSID00866269"	"CCC(C)COC(=O)C1C=CC=CC=1"	"InChI=1S/C12H16O2/c1-3-10(2)9-14-12(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3"	"PYZHESNNAPENLQ-UHFFFAOYSA-N"	"?"
"4184"	"57843-53-5"	"Hexanediamide, N1,N1,N6,N6-tetrakis(2-hydroxypropyl)-"	"DTXSID50866653"	"CC(O)CN(CC(C)O)C(=O)CCCCC(=O)N(CC(C)O)CC(C)O"	"InChI=1S/C18H36N2O6/c1-13(21)9-19(10-14(2)22)17(25)7-5-6-8-18(26)20(11-15(3)23)12-16(4)24/h13-16,21-24H,5-12H2,1-4H3"	"UUCAVBDCVCFNIN-UHFFFAOYSA-N"	"?"
"4185"	"65121-98-4"	"Ethyl (9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)carbamate"	"DTXSID0070231"	"CCOC(=O)NC1C=CC(O)=C2C=1C(=O)C1C=CC=CC=1C2=O"	"InChI=1S/C17H13NO5/c1-2-23-17(22)18-11-7-8-12(19)14-13(11)15(20)9-5-3-4-6-10(9)16(14)21/h3-8,19H,2H2,1H3,(H,18,22)"	"FRCUOSOKVVEYMN-UHFFFAOYSA-N"	"?"
"4186"	"68025-27-4"	"Benzoxazolium, 2-(2-ethoxy-1-butenyl)-5-phenyl-3-(3-sulfopropyl)-, inner salt"	"DTXSID0070996"	"CCOC(CC)=CC1OC2=CC=C(C=C2[N+]=1CCCS([O-])(=O)=O)C1C=CC=CC=1"	"InChI=1S/C22H25NO5S/c1-3-19(27-4-2)16-22-23(13-8-14-29(24,25)26)20-15-18(11-12-21(20)28-22)17-9-6-5-7-10-17/h5-7,9-12,15-16H,3-4,8,13-14H2,1-2H3"	"HBFKQGKELXIJKJ-UHFFFAOYSA-N"	"?"
"4187"	"NOCAS_865474"	"CERAPP_38665"	"DTXSID00865474"	"CC(C)=CCCC(C)(C#C)OC(C)=O"	"InChI=1S/C12H18O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h1,8H,7,9H2,2-5H3"	"JNVHVDDAOGRVDT-UHFFFAOYSA-N"	"?"
"4188"	"24863-70-5"	"1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester"	"DTXSID10179574"	"CCCCCC1=C(CCC1=O)CC(=O)OC"	"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h3-9H2,1-2H3"	"GJYFXPRHTPSOMM-UHFFFAOYSA-N"	"?"
"4189"	"NOCAS_864740"	"CERAPP_36440"	"DTXSID00864740"	"CC(C)C1CCC(C)CC1OC(=O)C(C)O"	"InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3"	"UJNOLBSYLSYIBM-UHFFFAOYSA-N"	"?"
"4190"	"68239-75-8"	"1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[3-(trimethoxysilyl)propyl]-"	"DTXSID0071334"	"CCN(CCC[Si](OC)(OC)OC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C15H20F15NO5SSi/c1-5-31(7-6-8-38(34-2,35-3)36-4)37(32,33)15(29,30)13(24,25)11(20,21)9(16,17)10(18,19)12(22,23)14(26,27)28/h5-8H2,1-4H3"	"SKFXNBMYNHVVJU-UHFFFAOYSA-N"	"?"
"4191"	"NOCAS_863970"	"CERAPP_32787"	"DTXSID00863970"	"CCCCOP(S)(=S)OCCCC"	"InChI=1S/C8H19O2PS2/c1-3-5-7-9-11(12,13)10-8-6-4-2/h3-8H2,1-2H3,(H,12,13)"	"XPRULOZMJZDZEF-UHFFFAOYSA-N"	"?"
"4192"	"72542-56-4"			"CC(C)(C)N(SN(C)C(=O)ON=C(C)SC)P1(=S)OCC(C)(C)CO1"	"InChI=1S/C14H28N3O4PS3/c1-11(24-8)15-21-12(18)16(7)25-17(13(2,3)4)22(23)19-9-14(5,6)10-20-22/h9-10H2,1-8H3"	"ATEBGFOYQXZUEB-UHFFFAOYSA-N"	"?"
"4193"	"141517-21-7"	"Trifloxystrobin"	"DTXSID4032580"	"CC(=NOCC1=CC=CC=C1C(=NOC)C(=O)OC)C1C=C(C=CC=1)C(F)(F)F"	"InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3"	"ONCZDRURRATYFI-UHFFFAOYSA-N"	"?"
"4194"	"67905-56-0"	"9,10-Anthracenedione, 1-amino-4-[[4-[(dimethylamino)methyl]phenyl]amino]-, monohydrochloride"	"DTXSID0070813"	"CN(C)CC1C=CC(=CC=1)NC1=CC=C(N)C2=C1C(=O)C1C=CC=CC=1C2=O"	"InChI=1S/C23H21N3O2/c1-26(2)13-14-7-9-15(10-8-14)25-19-12-11-18(24)20-21(19)23(28)17-6-4-3-5-16(17)22(20)27/h3-12,25H,13,24H2,1-2H3"	"IVFRHOQHKQWEHJ-UHFFFAOYSA-N"	"Cl"
"4195"	"110-53-2"	"1-Bromopentane"	"DTXSID3049203"	"CCCCCBr"	"InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3"	"YZWKKMVJZFACSU-UHFFFAOYSA-N"	"?"
"4196"	"NOCAS_867716"	"CERAPP_44562"	"DTXSID00867716"	"CCCCCCCC1(CCCC1=O)C(=O)OC"	"InChI=1S/C14H24O3/c1-3-4-5-6-7-10-14(13(16)17-2)11-8-9-12(14)15/h3-11H2,1-2H3"	"NUKUEPMJQQXHDS-UHFFFAOYSA-N"	"?"
"4197"	"74697-35-1"			"CC1C=C(C=CC=1OC)C1(NC(=O)NC1=O)C1C=CC(=CC=1)OC"	"InChI=1S/C18H18N2O4/c1-11-10-13(6-9-15(11)24-3)18(16(21)19-17(22)20-18)12-4-7-14(23-2)8-5-12/h4-10H,1-3H3,(H2,19,20,21,22)"	"FTRSYIDWPWZXID-UHFFFAOYSA-N"	"?"
"4198"	"17597-95-4"	"Hexane, 1-(2,2-dimethoxyethoxy)-"	"DTXSID3066217"	"CCCCCCOCC(OC)OC"	"InChI=1S/C10H22O3/c1-4-5-6-7-8-13-9-10(11-2)12-3/h10H,4-9H2,1-3H3"	"LIVMHHPZBYEKCU-UHFFFAOYSA-N"	"?"
"4199"	"23949-66-8"	"Ethanediamide, N-(2-ethoxyphenyl)-N'-(2-ethylphenyl)-"	"DTXSID1066944"	"CCOC1C=CC=CC=1NC(=O)C(=O)NC1C=CC=CC=1CC"	"InChI=1S/C18H20N2O3/c1-3-13-9-5-6-10-14(13)19-17(21)18(22)20-15-11-7-8-12-16(15)23-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)"	"YIMHRDBSVCPJOV-UHFFFAOYSA-N"	"?"
"4200"	"6842-62-2"			"ClC1C=CC(=CC=1)OC1C=C(Cl)C=CC=1"	"InChI=1S/C12H8Cl2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H"	"HPRGYUWRGCTBAV-UHFFFAOYSA-N"	"?"
"4201"	"71173-74-5"	"Acetamide, 2,2,2-trifluoro-N-methyl-N-[[2-(methylamino)-5-nitrophenyl]methyl]-"	"DTXSID0072275"	"CNC1C=CC(=CC=1CN(C)C(=O)C(F)(F)F)[N+]([O-])=O"	"InChI=1S/C11H12F3N3O3/c1-15-9-4-3-8(17(19)20)5-7(9)6-16(2)10(18)11(12,13)14/h3-5,15H,6H2,1-2H3"	"SRHCNVZNWRKMFN-UHFFFAOYSA-N"	"?"
"4202"	"68391-46-8"	"Propanenitrile, 3,3'-[[3-chloro-4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis-"	"DTXSID0071469"	"N#CCCN(CCC#N)C1=CC(Cl)=C(C=C1)N=NC1=CC=C(C=C1Cl)[N+]([O-])=O"	"InChI=1S/C18H14Cl2N6O2/c19-15-11-13(25(9-1-7-21)10-2-8-22)3-5-17(15)23-24-18-6-4-14(26(27)28)12-16(18)20/h3-6,11-12H,1-2,9-10H2"	"ICZIDOAMWAKGEO-UHFFFAOYSA-N"	"?"
"4203"	"63870-38-2"	"[1,2,4]Triazolo[1,5-a]pyrimidin-7(1H)-one, 2-(hydroxymethyl)-5-methyl-"	"DTXSID0070021"	"CC1CC(=O)N2N=C(CO)N=C2N=1"	"InChI=1S/C7H8N4O2/c1-4-2-6(13)11-7(8-4)9-5(3-12)10-11/h12H,2-3H2,1H3"	"CYKZZSFJVCWECT-UHFFFAOYSA-N"	"?"
"4204"	"NOCAS_863596"	"CERAPP_31958"	"DTXSID00863596"	"CC(C)=CCCC(C)=CC1OC(CO1)CO"	"InChI=1S/C13H22O3/c1-10(2)5-4-6-11(3)7-13-15-9-12(8-14)16-13/h5,7,12-14H,4,6,8-9H2,1-3H3"	"PARQKBHRABMRKU-UHFFFAOYSA-N"	"?"
"4205"	"4917-76-4"	"Butanedioic acid, 2,2'-thiobis-"	"DTXSID00875730"	"OC(=O)CC(SC(CC(O)=O)C(O)=O)C(O)=O"	"InChI=1S/C8H10O8S/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)"	"SASYRHXVHLPMQD-UHFFFAOYSA-N"	"?"
"4206"	"68912-00-5"	"Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-"	"DTXSID0071833"	"CC1C=CC=CC=1N(C(=O)CC(C)=O)C(=O)CC(C)=O"	"InChI=1S/C15H17NO4/c1-10-6-4-5-7-13(10)16(14(19)8-11(2)17)15(20)9-12(3)18/h4-7H,8-9H2,1-3H3"	"OPJGBIZKNKLMSX-UHFFFAOYSA-N"	"?"
"4207"	"68155-95-3"	"2,5-Cyclohexadien-1-one, 2-chloro-4-[[4-(diethylamino)-2-methylphenyl]imino]-"	"DTXSID0071201"	"CC1=CC(=CC=C1N=C1C=CC(=O)C(Cl)=C1)N(CC)CC"	"InChI=1S/C17H19ClN2O/c1-4-20(5-2)14-7-8-16(12(3)10-14)19-13-6-9-17(21)15(18)11-13/h6-11H,4-5H2,1-3H3"	"NYHORWIVCVFYFV-UHFFFAOYSA-N"	"?"
"4208"	"61318-58-9"	"2,5-Cyclohexadien-1-one, 4-[[4-[[4-[(4-methoxyphenyl)amino]phenyl]amino]phenyl]imino]-"	"DTXSID0069464"	"COC1C=CC(=CC=1)NC1C=CC(=CC=1)NC1C=CC(=CC=1)N=C1C=CC(=O)C=C1"	"InChI=1S/C25H21N3O2/c1-30-25-16-12-23(13-17-25)28-21-8-4-19(5-9-21)26-18-2-6-20(7-3-18)27-22-10-14-24(29)15-11-22/h2-17,26,28H,1H3"	"SRHSAWJGTIRLRN-UHFFFAOYSA-N"	"?"
"4209"	"68941-04-8"	"Benzenesulfonic acid, 4-[(2-hydroxy-3,5-dimethylphenyl)azo]-"	"DTXSID0071887"	"CC1C=C(C)C(O)=C(C=1)N=NC1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C14H14N2O4S/c1-9-7-10(2)14(17)13(8-9)16-15-11-3-5-12(6-4-11)21(18,19)20/h3-8,17H,1-2H3,(H,18,19,20)"	"YYNBNRIYTJKLMN-UHFFFAOYSA-N"	"?"
"4210"	"68016-05-7"	"2-Naphthalenecarboxamide, 4-[[5-(aminocarbonyl)-2-methoxyphenyl]azo]-3-hydroxy-N-phenyl-"	"DTXSID0070992"	"COC1C=CC(=CC=1N=NC1C(O)=C(C=C2C=CC=CC2=1)C(=O)NC1C=CC=CC=1)C(N)=O"	"InChI=1S/C25H20N4O4/c1-33-21-12-11-16(24(26)31)14-20(21)28-29-22-18-10-6-5-7-15(18)13-19(23(22)30)25(32)27-17-8-3-2-4-9-17/h2-14,30H,1H3,(H2,26,31)(H,27,32)"	"ZWPGSNPNNSTONK-UHFFFAOYSA-N"	"?"
"4211"	"85697-02-5"	"Propanamide, 3-(((1-ethyl-1H-tetrazol-5-yl)methyl)thio)-"	"DTXSID40234983"	"CCN1N=NN=C1CSCCC(N)=O"	"InChI=1S/C7H13N5OS/c1-2-12-7(9-10-11-12)5-14-4-3-6(8)13/h2-5H2,1H3,(H2,8,13)"	"DLILMAIALIVQNX-UHFFFAOYSA-N"	"?"
"4212"	"74712-19-9"	"Bromobutide"	"DTXSID2058176"	"CC(C)(C)C(Br)/C(/O)=N/C(C)(C)C1C=CC=CC=1"	"InChI=1S/C15H22BrNO/c1-14(2,3)12(16)13(18)17-15(4,5)11-9-7-6-8-10-11/h6-10,12H,1-5H3,(H,17,18)"	"WZDDLAZXUYIVMU-UHFFFAOYSA-N"	"?"
"4213"	"2550-02-9"	"Triethoxypropylsilane"	"DTXSID60862984"	"CCC[Si](OCC)(OCC)OCC"	"InChI=1S/C9H22O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-9H2,1-4H3"	"NBXZNTLFQLUFES-UHFFFAOYSA-N"	"?"
"4214"	"NOCAS_866249"	"CERAPP_40825"	"DTXSID00866249"	"CCCCCCCCC1C=CC=CC=1S(O)(=O)=O"	"InChI=1S/C14H22O3S/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18(15,16)17/h8-9,11-12H,2-7,10H2,1H3,(H,15,16,17)"	"QWHHBVWZZLQUIH-UHFFFAOYSA-N"	"?"
"4215"	"NOCAS_868248"	"CERAPP_45804"	"DTXSID00868248"	"CCC(=O)OC1CC2CC1CC2=CC"	"InChI=1S/C12H18O2/c1-3-8-5-10-6-9(8)7-11(10)14-12(13)4-2/h3,9-11H,4-7H2,1-2H3"	"QSWOAKOMZJLMTM-UHFFFAOYSA-N"	"?"
"4216"	"16150-45-1"	"Cromophene"	"DTXSID20167164"	"CCOC(=O)C1=CC(=O)C2C(=CC=CC=2OCC(O)COC2C=CC=C3OC(=CC(=O)C=23)C(=O)OCC)O1"	"InChI=1S/C27H24O11/c1-3-33-26(31)22-11-16(29)24-18(7-5-9-20(24)37-22)35-13-15(28)14-36-19-8-6-10-21-25(19)17(30)12-23(38-21)27(32)34-4-2/h5-12,15,28H,3-4,13-14H2,1-2H3"	"KRBBSLDXYDBFEC-UHFFFAOYSA-N"	"?"
"4217"	"21016-46-6"	"2-Pentenoic acid, 2,4-dimethyl-, ethyl ester, (2E)-"	"DTXSID0074392"	"CC(=CC(C)C)C(=O)OCC"	"InChI=1S/C9H16O2/c1-5-11-9(10)8(4)6-7(2)3/h6-7H,5H2,1-4H3"	"AAYYTNPAPOADFH-UHFFFAOYSA-N"	"?"
"4218"	"64346-13-0"	"Sulfuric acid, monooctadecyl ester, compd. with 2,2'-iminobis[ethanol] (1:1)"	"DTXSID0070073"	"CCCCCCCCCCCCCCCCCCOS(O)(=O)=O"	"InChI=1S/C18H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H,19,20,21)"	"HVWGGPRWKSHASF-UHFFFAOYSA-N"	"N(CCO)CCO"
"4219"	"68239-73-6"	"1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(4-hydroxybutyl)-N-methyl-"	"DTXSID0071332"	"CN(CCCCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C13H12F17NO3S/c1-31(4-2-3-5-32)35(33,34)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h32H,2-5H2,1H3"	"IARCBLTVLGDOGQ-UHFFFAOYSA-N"	"?"
"4220"	"137521-51-8"			"CC(=O)C(N=NC1C=CC=CC=1Cl)C(=O)NC"	"InChI=1S/C11H12ClN3O2/c1-7(16)10(11(17)13-2)15-14-9-6-4-3-5-8(9)12/h3-6,10H,1-2H3,(H,13,17)"	"CFWPPYDDNDZSPL-UHFFFAOYSA-N"	"?"
"4221"	"72076-50-7"	"Dimethyl 5-isothiocyanatoisophthalate"	"DTXSID0072483"	"COC(=O)C1=CC(=CC(=C1)C(=O)OC)N=C=S"	"InChI=1S/C11H9NO4S/c1-15-10(13)7-3-8(11(14)16-2)5-9(4-7)12-6-17/h3-5H,1-2H3"	"SEFVBTNZOHDLLS-UHFFFAOYSA-N"	"?"
"4222"	"67905-64-0"	"Acetamide, N-[3-[(2-cyanoethyl)ethylamino]-4-ethoxyphenyl]-"	"DTXSID0070819"	"CC(=O)NC1C=C(C(=CC=1)OCC)N(CCC#N)CC"	"InChI=1S/C15H21N3O2/c1-4-18(10-6-9-16)14-11-13(17-12(3)19)7-8-15(14)20-5-2/h7-8,11H,4-6,10H2,1-3H3,(H,17,19)"	"JDOMEWCDWXXVNR-UHFFFAOYSA-N"	"?"
"4223"	"51410-72-1"	"N,N,N-Trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium chloride"	"DTXSID2044682"	"CC(=C)C(=O)NCCC[N+](C)(C)C"	"InChI=1S/C10H20N2O/c1-9(2)10(13)11-7-6-8-12(3,4)5/h1,6-8H2,2-5H3/p+1"	"VZTGWJFIMGVKSN-UHFFFAOYSA-O"	"[Cl-]"
"4224"	"NOCAS_870740"	"CERAPP_55017"	"DTXSID00870740"	"CCCC(C)I"	"InChI=1S/C5H11I/c1-3-4-5(2)6/h5H,3-4H2,1-2H3"	"JUPBFIYJUCWJCT-UHFFFAOYSA-N"	"?"
"4225"	"NOCAS_864482"	"CERAPP_35166"	"DTXSID00864482"	"N#[N+]C1C=CC(Cl)=CC=1[N+]([O-])=O"	"InChI=1S/C6H3ClN3O2/c7-4-1-2-5(9-8)6(3-4)10(11)12/h1-3H/q+1"	"PKGYYZYRNOVFKK-UHFFFAOYSA-N"	"?"
"4226"	"54029-21-9"	"Carbamic acid, (5-(phenylmethoxy)-1H-benzimidazol-2-yl)-, methyl ester"	"DTXSID50202370"	"COC(=O)NC1NC2C=C(C=CC=2N=1)OCC1C=CC=CC=1"	"InChI=1S/C16H15N3O3/c1-21-16(20)19-15-17-13-8-7-12(9-14(13)18-15)22-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,18,19,20)"	"XVPRZCQQEOPOEX-UHFFFAOYSA-N"	"?"
"4227"	"58743-77-4"	"[1,1'-Biphenyl]-4-carbonitrile, 4'-methoxy-"	"DTXSID2069286"	"COC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"InChI=1S/C14H11NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,1H3"	"RINYLKSNGRLNCU-UHFFFAOYSA-N"	"?"
"4228"	"82697-78-7"			"COC1C=CC=CC=1C1NC(=O)CCS1"	"InChI=1S/C11H13NO2S/c1-14-9-5-3-2-4-8(9)11-12-10(13)6-7-15-11/h2-5,11H,6-7H2,1H3,(H,12,13)"	"CQULDBBHGMHIAE-UHFFFAOYSA-N"	"?"
"4229"	"59557-05-0"			"CC(=O)CC(=O)OC1CC(C)CCC1C(C)C"	"InChI=1S/C14H24O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-10,12-13H,5-8H2,1-4H3"	"QSVQIPXQOCAWHP-UHFFFAOYSA-N"	"?"
"4230"	"629-62-9"	"Pentadecane"	"DTXSID6027268"	"CCCCCCCCCCCCCCC"	"InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3"	"YCOZIPAWZNQLMR-UHFFFAOYSA-N"	"?"
"4231"	"86864-91-7"	"Phosphoric acid, bis(2,4-dimethylphenyl) 2,6-dimethylphenyl ester"	"DTXSID0072936"	"CC1C=CC=C(C)C=1OP(=O)(OC1=CC=C(C)C=C1C)OC1=CC=C(C)C=C1C"	"InChI=1S/C24H27O4P/c1-16-10-12-22(20(5)14-16)26-29(25,27-23-13-11-17(2)15-21(23)6)28-24-18(3)8-7-9-19(24)4/h7-15H,1-6H3"	"SFRAAVNRABYQOP-UHFFFAOYSA-N"	"?"
"4232"	"87495-31-6"	"Disoxaril"	"DTXSID70236354"	"CC1C=C(CCCCCCCOC2C=CC(=CC=2)C2=NCCO2)ON=1"	"InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3"	"FKLJPTJMIBLJAV-UHFFFAOYSA-N"	"?"
"4233"	"65383-61-1"	"4H-1-Benzopyran-4-one, 2,3-dihydro-6,7-dimethoxy-2,2-dimethyl-"	"DTXSID0070312"	"COC1=CC2OC(C)(C)CC(=O)C=2C=C1OC"	"InChI=1S/C13H16O4/c1-13(2)7-9(14)8-5-11(15-3)12(16-4)6-10(8)17-13/h5-6H,7H2,1-4H3"	"OMWVNQFGCGNZHE-UHFFFAOYSA-N"	"?"
"4234"	"88599-50-2"	"Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester"	"DTXSID50237182"	"CC1=CC=C(C=C1)OC(=O)C1=CC=CC=C1OC(N)=O"	"InChI=1S/C15H13NO4/c1-10-6-8-11(9-7-10)19-14(17)12-4-2-3-5-13(12)20-15(16)18/h2-9H,1H3,(H2,16,18)"	"RAZVJSXMXSJFPT-UHFFFAOYSA-N"	"?"
"4235"	"68957-80-2"	"Neopentyl glycol diisopalmitate"	"DTXSID0071914"	"CC(C)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C"	"InChI=1S/C37H72O4/c1-33(2)27-23-19-15-11-7-9-13-17-21-25-29-35(38)40-31-37(5,6)32-41-36(39)30-26-22-18-14-10-8-12-16-20-24-28-34(3)4/h33-34H,7-32H2,1-6H3"	"HQMSGQNZOKIETL-UHFFFAOYSA-N"	"?"
"4236"	"41136-22-5"	"Ceftezole sodium"	"DTXSID1048594"	"OC(=O)C1=C(CSC2=NN=CS2)CSC2C(NC(=O)CN3C=NN=N3)C(=O)N12"	"InChI=1S/C13H12N8O4S3/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25)"	"DZMVCVMFETWNIU-UHFFFAOYSA-N"	"[Na+]"
"4237"	"72283-41-1"	"Ethanol, 2,2',2''-nitrilotris-, compd. with 2-butoxyethyl phosphate"	"DTXSID0072562"	"CCCCOCCOP(O)(O)=O"	"InChI=1S/C6H15O5P/c1-2-3-4-10-5-6-11-12(7,8)9/h2-6H2,1H3,(H2,7,8,9)"	"TVAJJUOMNRUGQA-UHFFFAOYSA-N"	"N(CCO)(CCO)CCO"
"4238"	"73356-67-9"			"CN1C2C=C(C=CC=2C2OC(=CC1=2)C(=O)NCCCN1CCCCC1)C(F)(F)F"	"InChI=1S/C21H24F3N3O2/c1-26-16-12-14(21(22,23)24)6-7-15(16)19-17(26)13-18(29-19)20(28)25-8-5-11-27-9-3-2-4-10-27/h6-7,12-13H,2-5,8-11H2,1H3,(H,25,28)"	"BPDXSVFHUFURAC-UHFFFAOYSA-N"	"?"
"4239"	"68556-02-5"	"2-Naphthalenecarboxamide, N-(2,4-dimethylphenyl)-3-hydroxy-, monosodium salt"	"DTXSID0071673"	"CC1=CC(C)=CC=C1NC(=O)C1C=C2C=CC=CC2=CC=1O"	"InChI=1S/C19H17NO2/c1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)"	"VTPSNRIENVXKCI-UHFFFAOYSA-N"	"[Na+]"
"4240"	"96478-09-0"	"2-Propenoic acid, 2-methyl-, 2-[3-(2H-benzotriazol-2-yl)-4-hydroxyphenyl]ethyl ester"	"DTXSID0072980"	"CC(=C)C(=O)OCCC1C=CC(O)=C(C=1)N1N=C2C=CC=CC2=N1"	"InChI=1S/C18H17N3O3/c1-12(2)18(23)24-10-9-13-7-8-17(22)16(11-13)21-19-14-5-3-4-6-15(14)20-21/h3-8,11,22H,1,9-10H2,2H3"	"VCYCUECVHJJFIQ-UHFFFAOYSA-N"	"?"
"4241"	"36146-44-8"			"O=C1C(C=NN2CCOC2=O)=C(N=C2C=CC=CN12)N1CCCCCC1"	"InChI=1S/C18H21N5O3/c24-17-14(13-19-23-11-12-26-18(23)25)16(21-8-4-1-2-5-9-21)20-15-7-3-6-10-22(15)17/h3,6-7,10,13H,1-2,4-5,8-9,11-12H2"	"FRKGTQMKDGCKBB-UHFFFAOYSA-N"	"?"
"4242"	"175013-18-0"	"Pyraclostrobin"	"DTXSID7032638"	"CON(C(=O)OC)C1=CC=CC=C1COC1C=CN(N=1)C1C=CC(Cl)=CC=1"	"InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3"	"HZRSNVGNWUDEFX-UHFFFAOYSA-N"	"?"
"4243"	"73250-68-7"	"Mefenacet"	"DTXSID7058173"	"CN(C(=O)COC1=NC2=CC=CC=C2S1)C1C=CC=CC=1"	"InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3"	"XIGAUIHYSDTJHW-UHFFFAOYSA-N"	"?"
"4244"	"108-74-7"	"Hexahydro-1,3,5-trimethyl-1,3,5-triazine"	"DTXSID6051560"	"CN1CN(C)CN(C)C1"	"InChI=1S/C6H15N3/c1-7-4-8(2)6-9(3)5-7/h4-6H2,1-3H3"	"DPMZXMBOYHBELT-UHFFFAOYSA-N"	"?"
"4245"	"NOCAS_865611"	"CERAPP_39068"	"DTXSID00865611"	"CC(=O)C(N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC(=CC=1)OC)C(C)=O)C(=O)NC1C=CC(=CC=1)OC"	"InChI=1S/C34H30Cl2N6O6/c1-19(43)31(33(45)37-23-7-11-25(47-3)12-8-23)41-39-29-15-5-21(17-27(29)35)22-6-16-30(28(36)18-22)40-42-32(20(2)44)34(46)38-24-9-13-26(48-4)14-10-24/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)"	"HPYOHJMBDBVTMT-UHFFFAOYSA-N"	"?"
"4246"	"65045-86-5"	"Ethanethiol, 2-(4-nonylphenoxy)-, hydrogen phosphorodithioate"	"DTXSID0070158"	"CCCCCCCCCC1C=CC(=CC=1)OCCSP(O)(=O)SCCOC1C=CC(CCCCCCCCC)=CC=1"	"InChI=1S/C34H55O4PS2/c1-3-5-7-9-11-13-15-17-31-19-23-33(24-20-31)37-27-29-40-39(35,36)41-30-28-38-34-25-21-32(22-26-34)18-16-14-12-10-8-6-4-2/h19-26H,3-18,27-30H2,1-2H3,(H,35,36)"	"NHVGMEYOWUEZRF-UHFFFAOYSA-N"	"?"
"4247"	"5607-52-3"	"(1,1'-Biphenyl)-3-carboxamide, 5-chloro-2-hydroxy-N-(2,4,5-trichlorophenyl)-"	"DTXSID80204620"	"OC1C(=CC(Cl)=CC=1C1C=CC=CC=1)C(=O)NC1C=C(Cl)C(Cl)=CC=1Cl"	"InChI=1S/C19H11Cl4NO2/c20-11-6-12(10-4-2-1-3-5-10)18(25)13(7-11)19(26)24-17-9-15(22)14(21)8-16(17)23/h1-9,25H,(H,24,26)"	"HULLJDIZSWIDNW-UHFFFAOYSA-N"	"?"
"4248"	"67828-29-9"	"1,3-Benzenedisulfonic acid, 4-[bis[4-[ethyl(phenylmethyl)amino]phenyl]methyl]-"	"DTXSID0070657"	"CCN(CC1C=CC=CC=1)C1C=CC(=CC=1)C(C1=CC=C(C=C1S(O)(=O)=O)S(O)(=O)=O)C1C=CC(=CC=1)N(CC1C=CC=CC=1)CC"	"InChI=1S/C37H38N2O6S2/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29/h5-25,37H,3-4,26-27H2,1-2H3,(H,40,41,42)(H,43,44,45)"	"VMXLVYWJPWIZHK-UHFFFAOYSA-N"	"?"
"4249"	"176969-34-9"	"3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid"	"DTXSID80597105"	"CN1C=C(C(O)=O)C(=N1)C(F)F"	"InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)"	"RLOHOBNEYHBZID-UHFFFAOYSA-N"	"?"
"4250"	"7328-22-5"	"2-(2-Butoxyethoxy)ethyl methacrylate"	"DTXSID10223506"	"CC(=C)C(=O)OCCOCCOCCCC"	"InChI=1S/C12H22O4/c1-4-5-6-14-7-8-15-9-10-16-12(13)11(2)3/h2,4-10H2,1,3H3"	"QGTBRAFPWNISIJ-UHFFFAOYSA-N"	"?"
"4251"	"85099-50-9"	"7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, tetradecyl ester"	"DTXSID0074633"	"CCCCCCCCCCCCCCOC(=O)CCN1C(=O)C2(CC(C)(C)NC(C)(C)C2)OC21CCCCCCCCCCC2"	"InChI=1S/C39H72N2O4/c1-6-7-8-9-10-11-12-13-17-20-23-26-31-44-34(42)27-30-41-35(43)38(32-36(2,3)40-37(4,5)33-38)45-39(41)28-24-21-18-15-14-16-19-22-25-29-39/h40H,6-33H2,1-5H3"	"OLBWDGJTEXRJLY-UHFFFAOYSA-N"	"?"
"4252"	"36432-46-9"	"Phosphonic acid, ditridecyl ester"	"DTXSID40885651"	"CCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCC"	"InChI=1S/C26H55O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h30H,3-26H2,1-2H3"	"BDZYUTQMWUWPLZ-UHFFFAOYSA-N"	"?"
"4253"	"68310-66-7"	"Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]-"	"DTXSID0071415"	"N#CCCNCCN1CCNCC1"	"InChI=1S/C9H18N4/c10-2-1-3-11-4-7-13-8-5-12-6-9-13/h11-12H,1,3-9H2"	"NSYHEQFRUDHVBP-UHFFFAOYSA-N"	"?"
"4254"	"99161-62-3"	"2(3H)-Benzothiazolone, 6-ethoxy-4-methyl-"	"DTXSID40243974"	"CC1=CC(=CC2SC(=O)NC1=2)OCC"	"InChI=1S/C10H11NO2S/c1-3-13-7-4-6(2)9-8(5-7)14-10(12)11-9/h4-5H,3H2,1-2H3,(H,11,12)"	"CTPPNXZSWAHPNJ-UHFFFAOYSA-N"	"?"
"4255"	"65208-25-5"	"1H-Isoindole-1,3(2H)-dione, 2-[2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl]-"	"DTXSID0070281"	"CCN(CCN1C(=O)C2=CC=CC=C2C1=O)C1C=CC(=CC=1)N=NC1C=CC(=CC=1)[N+]([O-])=O"	"InChI=1S/C24H21N5O4/c1-2-27(15-16-28-23(30)21-5-3-4-6-22(21)24(28)31)19-11-7-17(8-12-19)25-26-18-9-13-20(14-10-18)29(32)33/h3-14H,2,15-16H2,1H3"	"CVBYCXSEWNPNEC-UHFFFAOYSA-N"	"?"
"4256"	"177406-68-7"	"Benthiavalicarb-isopropyl"	"DTXSID9058232"	"CC(NC(=O)C(NC(=O)OC(C)C)C(C)C)C1=NC2C=CC(F)=CC=2S1"	"InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)"	"USRKFGIXLGKMKU-UHFFFAOYSA-N"	"?"
"4257"	"63494-13-3"	"Acetamide, N-[3-[(2-hydroxyethyl)amino]-4-methoxyphenyl]-"	"DTXSID0069911"	"CC(=O)NC1C=C(NCCO)C(=CC=1)OC"	"InChI=1S/C11H16N2O3/c1-8(15)13-9-3-4-11(16-2)10(7-9)12-5-6-14/h3-4,7,12,14H,5-6H2,1-2H3,(H,13,15)"	"UVFWYFFTOWZUAY-UHFFFAOYSA-N"	"?"
"4258"	"NOCAS_868203"	"CERAPP_45706"	"DTXSID00868203"	"CC(C)=CCCC(C)(C=C)OC(=O)C1C=CC=CC=1N=CC(CCCCCC)=CC1C=CC=CC=1"	"InChI=1S/C32H41NO2/c1-6-8-9-11-20-28(24-27-18-12-10-13-19-27)25-33-30-22-15-14-21-29(30)31(34)35-32(5,7-2)23-16-17-26(3)4/h7,10,12-15,17-19,21-22,24-25H,2,6,8-9,11,16,20,23H2,1,3-5H3"	"FFYKJGASIBFVHC-UHFFFAOYSA-N"	"?"
"4259"	"63957-61-9"	"Phenol, 2,2'-[[(2-chlorophenyl)methylene]bis[(2,5-dimethyl-4,1-phenylene)azo]]bis[4-methyl-"	"DTXSID0070027"	"CC1C=C(N=NC2C=C(C)C(=CC=2C)C(C2C=C(C)C(=CC=2C)N=NC2C=C(C)C=CC=2O)C2C=CC=CC=2Cl)C(O)=CC=1"	"InChI=1S/C37H35ClN4O2/c1-21-11-13-35(43)33(15-21)41-39-31-19-23(3)28(17-25(31)5)37(27-9-7-8-10-30(27)38)29-18-26(6)32(20-24(29)4)40-42-34-16-22(2)12-14-36(34)44/h7-20,37,43-44H,1-6H3"	"KAXXSZSUIBJXTQ-UHFFFAOYSA-N"	"?"
"4260"	"22961-83-7"			"CC(=O)N(C)C(=O)OC1C=CC=C2OC(C)(CC)OC=12"	"InChI=1S/C14H17NO5/c1-5-14(3)19-11-8-6-7-10(12(11)20-14)18-13(17)15(4)9(2)16/h6-8H,5H2,1-4H3"	"YNGLPKKOWRUTDJ-UHFFFAOYSA-N"	"?"
"4261"	"68516-70-1"	"Benzenepropanamide, N-[2-chloro-5-[(phenylamino)sulfonyl]phenyl]-2-(octadecyloxy)-.beta.-oxo-"	"DTXSID0071592"	"CCCCCCCCCCCCCCCCCCOC1C=CC=CC=1C(=O)CC(=O)NC1C=C(C=CC=1Cl)S(=O)(=O)NC1C=CC=CC=1"	"InChI=1S/C39H53ClN2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-47-38-26-21-20-25-34(38)37(43)31-39(44)41-36-30-33(27-28-35(36)40)48(45,46)42-32-23-18-17-19-24-32/h17-21,23-28,30,42H,2-16,22,29,31H2,1H3,(H,41,44)"	"DFKPOYWYIKFZJL-UHFFFAOYSA-N"	"?"
"4262"	"151686-36-1"	"Benzenesulfonamide, 2-amino-N-cyclohexyl-N-ethyl-"	"DTXSID0073116"	"CCN(C1CCCCC1)S(=O)(=O)C1=CC=CC=C1N"	"InChI=1S/C14H22N2O2S/c1-2-16(12-8-4-3-5-9-12)19(17,18)14-11-7-6-10-13(14)15/h6-7,10-12H,2-5,8-9,15H2,1H3"	"VVDKTJBPSQYWAA-UHFFFAOYSA-N"	"?"
"4263"	"10519-12-7"	"2-Naphthalenol, decahydro-, 2-formate"	"DTXSID00864285"	"O=COC1CC2CCCCC2CC1"	"InChI=1S/C11H18O2/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h8-11H,1-7H2"	"NMFWOBQDDWFAAB-UHFFFAOYSA-N"	"?"
"4264"	"16545-00-9"	"Hexanedioic acid, bis[2-(diethylamino)ethyl] ester"	"DTXSID0074897"	"CCN(CCOC(=O)CCCCC(=O)OCCN(CC)CC)CC"	"InChI=1S/C18H36N2O4/c1-5-19(6-2)13-15-23-17(21)11-9-10-12-18(22)24-16-14-20(7-3)8-4/h5-16H2,1-4H3"	"RGAMPJYGTCSRAG-UHFFFAOYSA-N"	"?"
"4265"	"67924-14-5"	"Benzoic acid, 2-(dodecylideneamino)-, methyl ester"	"DTXSID0070861"	"CCCCCCCCCCCC=NC1C=CC=CC=1C(=O)OC"	"InChI=1S/C20H31NO2/c1-3-4-5-6-7-8-9-10-11-14-17-21-19-16-13-12-15-18(19)20(22)23-2/h12-13,15-17H,3-11,14H2,1-2H3"	"SQTIJQJOTPMGND-UHFFFAOYSA-N"	"?"
"4266"	"88599-46-6"	"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, phenyl ester"	"DTXSID60237178"	"NC(=O)OC1=CC=C(Cl)C=C1C(=O)OC1=CC=CC=C1"	"InChI=1S/C14H10ClNO4/c15-9-6-7-12(20-14(16)18)11(8-9)13(17)19-10-4-2-1-3-5-10/h1-8H,(H2,16,18)"	"YZNLMUXTIKMDKC-UHFFFAOYSA-N"	"?"
"4267"	"NOCAS_868021"	"CERAPP_45348"	"DTXSID00868021"	"CC(=O)NC1C=C(NCC(C)O)C(Cl)=CC=1N=NC1C=CC(=CC=1Cl)[N+]([O-])=O"	"InChI=1S/C17H17Cl2N5O4/c1-9(25)8-20-15-7-16(21-10(2)26)17(6-13(15)19)23-22-14-4-3-11(24(27)28)5-12(14)18/h3-7,9,20,25H,8H2,1-2H3,(H,21,26)"	"ZUPIQBGINDIKCE-UHFFFAOYSA-N"	"?"
"4268"	"67599-17-1"	"2-Naphthalenecarboxamide, N-(4-chloro-2-methoxyphenyl)-3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-"	"DTXSID0070524"	"COC1C=CC(=CC=1N=NC1C(O)=C(C=C2C=CC=CC2=1)C(=O)NC1C=CC(Cl)=CC=1OC)[N+]([O-])=O"	"InChI=1S/C25H19ClN4O6/c1-35-21-10-8-16(30(33)34)13-20(21)28-29-23-17-6-4-3-5-14(17)11-18(24(23)31)25(32)27-19-9-7-15(26)12-22(19)36-2/h3-13,31H,1-2H3,(H,27,32)"	"NGLOYGPWNUYALP-UHFFFAOYSA-N"	"?"
"4269"	"3021-02-1"			"N1N=NN=C1C1NN=NN=1"	"InChI=1S/C2H2N8/c3-1(4-8-7-3)2-5-9-10-6-2/h(H,3,4,7,8)(H,5,6,9,10)"	"MTAYYBKXNAEQOK-UHFFFAOYSA-N"	"N.N"
"4270"	"NOCAS_864068"	"CERAPP_33053"	"DTXSID00864068"	"CC1=NN(C2C=CC=CC=2)C(=O)C1C1C(=O)N(N=C1C)C1C=CC=CC=1"	"InChI=1S/C20H18N4O2/c1-13-17(19(25)23(21-13)15-9-5-3-6-10-15)18-14(2)22-24(20(18)26)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3"	"FORCWSNQDMPPOC-UHFFFAOYSA-N"	"?"
"4271"	"64131-85-7"	"O,O,O-Tris(4-nitrophenyl) thiophosphate"	"DTXSID40214341"	"[O-][N+](=O)C1C=CC(=CC=1)OP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC1C=CC(=CC=1)[N+]([O-])=O"	"InChI=1S/C18H12N3O9PS/c22-19(23)13-1-7-16(8-2-13)28-31(32,29-17-9-3-14(4-10-17)20(24)25)30-18-11-5-15(6-12-18)21(26)27/h1-12H"	"DMRUHNJUTAJPSU-UHFFFAOYSA-N"	"?"
"4272"	"75199-16-5"	"2-Naphthalenecarboxamide, 4-[(2-chlorophenyl)azo]-N-(2,4-dimethylphenyl)-3-hydroxy-"	"DTXSID0072809"	"CC1C=C(C)C(=CC=1)NC(=O)C1C=C2C=CC=CC2=C(N=NC2=CC=CC=C2Cl)C=1O"	"InChI=1S/C25H20ClN3O2/c1-15-11-12-21(16(2)13-15)27-25(31)19-14-17-7-3-4-8-18(17)23(24(19)30)29-28-22-10-6-5-9-20(22)26/h3-14,30H,1-2H3,(H,27,31)"	"IRSPOFJHFJCKPX-UHFFFAOYSA-N"	"?"
"4273"	"78-79-5"	"Isoprene"	"DTXSID2020761"	"CC(=C)C=C"	"InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3"	"RRHGJUQNOFWUDK-UHFFFAOYSA-N"	"?"
"4274"	"73772-33-5"	"1-Hexanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, monoacetate"	"DTXSID0072772"	"CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C11H13F13N2O2S/c1-26(2)5-3-4-25-29(27,28)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h25H,3-5H2,1-2H3"	"INDOGKYZYLAGEM-UHFFFAOYSA-N"	"C(=O)(O)C"
"4275"	"NOCAS_868566"	"CERAPP_46456"	"DTXSID00868566"	"CCCCC(CN(CN1N=NC2C=CC=CC1=2)CC(CCCC)CC)CC"	"InChI=1S/C23H40N4/c1-5-9-13-20(7-3)17-26(18-21(8-4)14-10-6-2)19-27-23-16-12-11-15-22(23)24-25-27/h11-12,15-16,20-21H,5-10,13-14,17-19H2,1-4H3"	"OKQVTLCUHATGDD-UHFFFAOYSA-N"	"?"
"4276"	"72276-09-6"	"4,7-Octadienoic acid, ethyl ester"	"DTXSID0072560"	"CCOC(=O)CCC=CCC=C"	"InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3,6-7H,1,4-5,8-9H2,2H3"	"LNOWXPKCCJROHI-UHFFFAOYSA-N"	"?"
"4277"	"112832-99-2"	"2H-Azepin-2-one, hexahydro-1-(4-(heptyloxy)butyl)-"	"DTXSID90150189"	"CCCCCCCOCCCCN1CCCCCC1=O"	"InChI=1S/C17H33NO2/c1-2-3-4-5-10-15-20-16-11-9-14-18-13-8-6-7-12-17(18)19/h2-16H2,1H3"	"RGXYETTVSYYCIZ-UHFFFAOYSA-N"	"?"
"4278"	"2835-68-9"	"4-Aminobenzamide"	"DTXSID7038814"	"NC1C=CC(=CC=1)C(N)=O"	"InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)"	"QIKYZXDTTPVVAC-UHFFFAOYSA-N"	"?"
"4279"	"77737-04-3"	"3-Pyridinecarbonitrile, 2-amino-5-[(2-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-"	"DTXSID0072851"	"CC1C(C#N)=C(N)N=C(NCCCOCCCCO)C=1N=NC1C=CC(=CC=1C#N)[N+]([O-])=O"	"InChI=1S/C21H24N8O4/c1-14-17(13-23)20(24)26-21(25-7-4-10-33-9-3-2-8-30)19(14)28-27-18-6-5-16(29(31)32)11-15(18)12-22/h5-6,11,30H,2-4,7-10H2,1H3,(H3,24,25,26)"	"HUIWEWMNRIAEOB-UHFFFAOYSA-N"	"?"
"4280"	"72987-35-0"	"1(2H)-Phthalazinone, 4-[4-(1,1-dimethylethyl)phenyl]-5,6,7,8-tetrahydro-"	"DTXSID0072697"	"CC(C)(C)C1C=CC(=CC=1)C1N=NC(O)=C2CCCCC2=1"	"InChI=1S/C18H22N2O/c1-18(2,3)13-10-8-12(9-11-13)16-14-6-4-5-7-15(14)17(21)20-19-16/h8-11H,4-7H2,1-3H3,(H,20,21)"	"IIPBZSKJTSVFET-UHFFFAOYSA-N"	"?"
"4281"	"65122-08-9"	"3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, acetate"	"DTXSID0070233"	"CC1(C)/C(=C/C=C/C2=[N+](C)C3C=CC=CC=3C2(C)C)/N(C)C2=CC=CC=C12"	"InChI=1S/C25H29N2/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6/h7-17H,1-6H3/q+1"	"VNUWMMGQKKIMQY-UHFFFAOYSA-N"	"CC([O-])=O"
"4282"	"71173-79-0"	"2-Naphthalenecarbonyl chloride, 5-[[[3-(fluorosulfonyl)phenyl]sulfonyl]amino]-1-hydroxy-"	"DTXSID0072279"	"OC1C(=CC=C2C(=CC=CC2=1)NS(=O)(=O)C1C=C(C=CC=1)S(=O)(=O)F)C(=O)Cl"	"InChI=1S/C17H11ClFNO6S2/c18-17(22)14-8-7-12-13(16(14)21)5-2-6-15(12)20-28(25,26)11-4-1-3-10(9-11)27(19,23)24/h1-9,20-21H"	"CMXGBVKIUVFXRA-UHFFFAOYSA-N"	"?"
"4283"	"62698-50-4"	"[1,1'-Biphenyl]-4-carboxylic acid, potassium salt"	"DTXSID0069624"	"OC(=O)C1C=CC(=CC=1)C1C=CC=CC=1"	"InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)"	"NNJMFJSKMRYHSR-UHFFFAOYSA-N"	"[K+]"
"4284"	"123172-55-4"			"CC(=O)C1=CC2OC(C)C(=O)N(C)C=2C=C1"	"InChI=1S/C12H13NO3/c1-7(14)9-4-5-10-11(6-9)16-8(2)12(15)13(10)3/h4-6,8H,1-3H3"	"PQGQSPZMCPKUQZ-UHFFFAOYSA-N"	"?"
"4285"	"2906-80-1"	"Piperidine, 1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-, hydrochloride"	"DTXSID30183315"	"C(COC1C=CC=C2OCCOC=12)N1CCCCC1"	"InChI=1S/C15H21NO3/c1-2-7-16(8-3-1)9-10-17-13-5-4-6-14-15(13)19-12-11-18-14/h4-6H,1-3,7-12H2"	"POUHUGKSPSQFFU-UHFFFAOYSA-N"	"Cl"
"4286"	"NOCAS_862408"	"CERAPP_28634"	"DTXSID00862408"	"CCC(C#N)C1C=CC=CC=1"	"InChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3"	"IZPUPXNVRNBDSW-UHFFFAOYSA-N"	"?"
"4287"	"93839-71-5"	"4-(((2-Aminophenyl)methyl)amino)cyclohexyl acetate"	"DTXSID70239744"	"CC(=O)OC1CCC(CC1)NCC1=CC=CC=C1N"	"InChI=1S/C15H22N2O2/c1-11(18)19-14-8-6-13(7-9-14)17-10-12-4-2-3-5-15(12)16/h2-5,13-14,17H,6-10,16H2,1H3"	"VPLIJSLZFWAYSJ-UHFFFAOYSA-N"	"?"
"4288"	"72102-84-2"	"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]-"	"DTXSID6072502"	"CC1=CC2NC(=O)NC=2C=C1N=NC1C(=O)NC(=O)NC1=O"	"InChI=1S/C12H10N6O4/c1-4-2-6-7(14-11(21)13-6)3-5(4)17-18-8-9(19)15-12(22)16-10(8)20/h2-3,8H,1H3,(H2,13,14,21)(H2,15,16,19,20,22)"	"RITYHZCLJGBCAJ-UHFFFAOYSA-N"	"?"
"4289"	"1466-76-8"	"2,6-Dimethoxybenzoic acid"	"DTXSID4046999"	"COC1=CC=CC(OC)=C1C(O)=O"	"InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)"	"MBIZFBDREVRUHY-UHFFFAOYSA-N"	"?"
"4290"	"16816-67-4"	"Pantethine"	"DTXSID9046815"	"CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO"	"InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)"	"DJWYOLJPSHDSAL-UHFFFAOYSA-N"	"?"
"4291"	"72076-54-1"	"6-Methyl-2-(phenylthio)quinoline"	"DTXSID0072487"	"CC1C=C2C=CC(=NC2=CC=1)SC1C=CC=CC=1"	"InChI=1S/C16H13NS/c1-12-7-9-15-13(11-12)8-10-16(17-15)18-14-5-3-2-4-6-14/h2-11H,1H3"	"MGBKIXGPXJZRIR-UHFFFAOYSA-N"	"?"
"4292"	"73195-14-9"	"Bisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione, ethoxy-"	"DTXSID0072724"	"CCOC1C=C2C3=C4C=1C1=NC5C=CC=CC=5N1C(=O)C4=CC=C3C(=O)N1C2=NC2C=CC=CC1=2"	"InChI=1S/C28H16N4O3/c1-2-35-21-13-16-22-14(27(33)31-19-9-5-3-7-17(19)29-25(16)31)11-12-15-23(22)24(21)26-30-18-8-4-6-10-20(18)32(26)28(15)34/h3-13H,2H2,1H3"	"SEUTWOUYJUTTFW-UHFFFAOYSA-N"	"?"
"4293"	"93633-92-2"			"CC1C=CC(=CC=1S(N)(=O)=O)C(O)CNCCOC1C=CC=CC=1OC"	"InChI=1S/C18H24N2O5S/c1-13-7-8-14(11-18(13)26(19,22)23)15(21)12-20-9-10-25-17-6-4-3-5-16(17)24-2/h3-8,11,15,20-21H,9-10,12H2,1-2H3,(H2,19,22,23)"	"LVEXHFZHOIWIIP-UHFFFAOYSA-N"	"?"
"4294"	"72918-28-6"	"1(4H)-Naphthalenone, 8-amino-2,3,6,7-tetrabromo-5-hydroxy-4-imino-"	"DTXSID0072647"	"NC1C2C(=O)C(Br)=C(Br)C(=N)C=2C(O)=C(Br)C=1Br"	"InChI=1S/C10H4Br4N2O2/c11-3-6(14)10(18)2-1(7(3)15)9(17)5(13)4(12)8(2)16/h15,17H,16H2"	"OCJTZMFKNFAESY-UHFFFAOYSA-N"	"?"
"4295"	"62637-98-3"	"1-Naphthalenol, 2-(phenylazo)-, acetate (ester)"	"DTXSID0069599"	"CC(=O)OC1C2=CC=CC=C2C=CC=1N=NC1C=CC=CC=1"	"InChI=1S/C18H14N2O2/c1-13(21)22-18-16-10-6-5-7-14(16)11-12-17(18)20-19-15-8-3-2-4-9-15/h2-12H,1H3"	"FWOUKWJGRCTXND-UHFFFAOYSA-N"	"?"
"4296"	"67874-26-4"	"Benzoic acid, 5-[[4-[[3-[[3-[(2,4-diaminophenyl)azo]-2-hydroxy-5-sulfophenyl]azo]-2,6-dihydroxyphenyl]azo]phenyl]azo]-2-hydroxy-, disodium salt"	"DTXSID0070734"	"NC1=CC(N)=CC=C1N=NC1C=C(C=C(N=NC2=CC=C(O)C(N=NC3C=CC(=CC=3)N=NC3=CC(=C(O)C=C3)C(O)=O)=C2O)C=1O)S(O)(=O)=O"	"InChI=1S/C31H24N10O9S/c32-15-1-7-22(21(33)11-15)37-39-24-13-19(51(48,49)50)14-25(29(24)44)40-38-23-8-10-27(43)28(30(23)45)41-35-17-4-2-16(3-5-17)34-36-18-6-9-26(42)20(12-18)31(46)47/h1-14,42-45H,32-33H2,(H,46,47)(H,48,49,50)"	"AMQBBMDTVRWDQE-UHFFFAOYSA-N"	"[Na+].[Na+]"
"4297"	"72987-39-4"	"2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-"	"DTXSID0072699"	"OC1C(N=NC2C=CC(=CC=2)S(=O)(=O)CCOS(O)(=O)=O)=C(C=C2C=C(C=C(NC3N=C(Cl)N=C(NC4=CC(=CC=C4)S(O)(=O)=O)N=3)C=12)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C27H22ClN7O16S5/c28-25-31-26(29-16-2-1-3-18(12-16)53(39,40)41)33-27(32-25)30-20-13-19(54(42,43)44)10-14-11-21(55(45,46)47)23(24(36)22(14)20)35-34-15-4-6-17(7-5-15)52(37,38)9-8-51-56(48,49)50/h1-7,10-13,36H,8-9H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,29,30,31,32,33)"	"JZWSGEZNRDXUIX-UHFFFAOYSA-N"	"?"
"4298"	"156755-23-6"	"6-bromo-4-phenylchroman-2-one"	"DTXSID80387841"	"O=C1CC(C2=CC(Br)=CC=C2O1)C1C=CC=CC=1"	"InChI=1S/C15H11BrO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12H,9H2"	"KFKFQGCDFMGUCH-UHFFFAOYSA-N"	"?"
"4299"	"6166-86-5"	"Cyclopentasiloxane, 2,4,6,8,10-pentamethyl-"	"DTXSID80871154"	"C[SiH]1O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O1"	"InChI=1S/C5H20O5Si5/c1-11-6-12(2)8-14(4)10-15(5)9-13(3)7-11/h11-15H,1-5H3"	"HGPDWMTUQRNTQT-UHFFFAOYSA-N"	"?"
"4300"	"181274-15-7"	"Propoxycarbazone-sodium"	"DTXSID9034864"	"CN1C(=NN(C1=O)C(=O)NS(=O)(=O)C1C=CC=CC=1C(=O)OC)OCCC"	"InChI=1S/C15H18N4O7S/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3/h5-8H,4,9H2,1-3H3,(H,17,21)"	"JTHMVYBOQLDDIY-UHFFFAOYSA-N"	"[Na+]"
"4301"	"168152-70-3"	"(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N,N-diethyl-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"	"DTXSID70168505"	"CCCC1=NC2=NC=NN2C(=C1CC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1)N(CC)CC"	"InChI=1S/C26H29N9/c1-4-9-23-22(25(34(5-2)6-3)35-26(29-23)27-17-28-35)16-18-12-14-19(15-13-18)20-10-7-8-11-21(20)24-30-32-33-31-24/h7-8,10-15,17H,4-6,9,16H2,1-3H3,(H,30,31,32,33)"	"AQPXLAPRURJICX-UHFFFAOYSA-N"	"?"
"4302"	"73772-47-1"	"Dodecanamide, N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-"	"DTXSID0072776"	"CCCCCCCCCCCC(=O)NCCNCCNCCNCCN"	"InChI=1S/C20H45N5O/c1-2-3-4-5-6-7-8-9-10-11-20(26)25-19-18-24-17-16-23-15-14-22-13-12-21/h22-24H,2-19,21H2,1H3,(H,25,26)"	"BYPXXACLPKXOFX-UHFFFAOYSA-N"	"?"
"4303"	"640-67-5"			"OC(=O)C(O)=O"	"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)"	"MUBZPKHOEPUJKR-UHFFFAOYSA-N"	"[Mn+2]"
"4304"	"16506-27-7"	"Bendamustine"	"DTXSID2046888"	"CN1C2C=CC(=CC=2N=C1CCCC(O)=O)N(CCCl)CCCl"	"InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)"	"YTKUWDBFDASYHO-UHFFFAOYSA-N"	"?"
"4305"	"68442-68-2"	"Styrenated diphenylamine"	"DTXSID8029444"	"CC(C1C=CC(=CC=1)NC1C=CC(=CC=1)C(C)C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C28H27N/c1-21(23-9-5-3-6-10-23)25-13-17-27(18-14-25)29-28-19-15-26(16-20-28)22(2)24-11-7-4-8-12-24/h3-22,29H,1-2H3"	"BRWSDEFCJGIRLV-UHFFFAOYSA-N"	"?"
"4306"	"68444-09-7"	"Benzenesulfonic acid, 4-[[4-[(4-ethoxy-3-methylphenyl)azo]-2,5-dimethoxyphenyl]azo]-, sodium salt"	"DTXSID0071548"	"CC1=CC(=CC=C1OCC)N=NC1C=C(OC)C(=CC=1OC)N=NC1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C23H24N4O6S/c1-5-33-21-11-8-17(12-15(21)2)25-27-20-14-22(31-3)19(13-23(20)32-4)26-24-16-6-9-18(10-7-16)34(28,29)30/h6-14H,5H2,1-4H3,(H,28,29,30)"	"YYSIWDPSELCGBX-UHFFFAOYSA-N"	"[Na+]"
"4307"	"123-28-4"	"Propanoic acid, 3,3'-thiobis-, didodecyl ester"	"DTXSID2026999"	"CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC"	"InChI=1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3"	"GHKOFFNLGXMVNJ-UHFFFAOYSA-N"	"?"
"4308"	"34484-91-8"			"CCN(CC)C1N=C2C=CC=CN2C(=O)C=1C=NN1CCOC1=O"	"InChI=1S/C16H19N5O3/c1-3-19(4-2)14-12(11-17-21-9-10-24-16(21)23)15(22)20-8-6-5-7-13(20)18-14/h5-8,11H,3-4,9-10H2,1-2H3"	"IETXOZFKCNBOGH-UHFFFAOYSA-N"	"?"
"4309"	"4826-62-4"	"Dodec-2-en-1-al"	"DTXSID0052122"	"CCCCCCCCCC=CC=O"	"InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3"	"SSNZFFBDIMUILS-UHFFFAOYSA-N"	"?"
"4310"	"68298-44-2"	"1-Pentanol, 4-methyl-, hydrogen sulfate, sodium salt"	"DTXSID0071388"	"CC(C)CCCOS(O)(=O)=O"	"InChI=1S/C6H14O4S/c1-6(2)4-3-5-10-11(7,8)9/h6H,3-5H2,1-2H3,(H,7,8,9)"	"FEEYNXDSAXEPRK-UHFFFAOYSA-N"	"[Na+]"
"4311"	"74462-02-5"	"4,4'-(2-Ethylhexane-1,1-diyl)diphenol"	"DTXSID10549339"	"CCC(CCCC)C(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1"	"InChI=1S/C20H26O2/c1-3-5-6-15(4-2)20(16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h7-15,20-22H,3-6H2,1-2H3"	"XXHIPRDUAVCXHW-UHFFFAOYSA-N"	"?"
"4312"	"104098-48-8"	"Imazapic"	"DTXSID5034270"	"CC1C=NC(=C(C=1)C(O)=O)C1NC(C)(C(C)C)C(=O)N=1"	"InChI=1S/C14H17N3O3/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10/h5-7H,1-4H3,(H,18,19)(H,16,17,20)"	"PVSGXWMWNRGTKE-UHFFFAOYSA-N"	"?"
"4313"	"NOCAS_870447"	"CERAPP_51571"	"DTXSID00870447"	"CC1CCC(CN1)CC"	"InChI=1S/C8H17N/c1-3-8-5-4-7(2)9-6-8/h7-9H,3-6H2,1-2H3"	"XOFNHZHCGBPVGJ-UHFFFAOYSA-N"	"?"
"4314"	"56344-92-4"	"Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride"	"DTXSID00204884"	"CC1=NC2C=CC=CC=2C(=O)N1C1C=CC=CC=1C#N"	"InChI=1S/C16H11N3O/c1-11-18-14-8-4-3-7-13(14)16(20)19(11)15-9-5-2-6-12(15)10-17/h2-9H,1H3"	"ZWFKHMRTCUBAPH-UHFFFAOYSA-N"	"Cl"
"4315"	"2605-78-9"	"Octyldimethylamine oxide"	"DTXSID1042239"	"CCCCCCCC[N+](C)(C)[O-]"	"InChI=1S/C10H23NO/c1-4-5-6-7-8-9-10-11(2,3)12/h4-10H2,1-3H3"	"RSVIRMFSJVHWJV-UHFFFAOYSA-N"	"?"
"4316"	"85251-77-0"			"CCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC"	"InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3"	"ONCLVQFEAFTXMN-UHFFFAOYSA-N"	"?"
"4317"	"66256-74-4"	"Benzoic acid, 3,3'-[carbonylbis(imino-4,1-phenyleneazo)]bis[6-hydroxy-5-methyl-, disodium salt"	"DTXSID0070447"	"CC1C=C(C=C(N=NC2C=CC(=CC=2)NC(=O)NC2C=CC(=CC=2)N=NC2C=C(C=C(C)C=2O)C(O)=O)C=1O)C(O)=O"	"InChI=1S/C29H24N6O7/c1-15-11-17(27(38)39)13-23(25(15)36)34-32-21-7-3-19(4-8-21)30-29(42)31-20-5-9-22(10-6-20)33-35-24-14-18(28(40)41)12-16(2)26(24)37/h3-14,36-37H,1-2H3,(H,38,39)(H,40,41)(H2,30,31,42)"	"OWSTVAFCRFEAEI-UHFFFAOYSA-N"	"[Na+].[Na+]"
"4318"	"69912-91-0"	"Cyclohexadiene, 1-methoxy-"	"DTXSID0072015"	"COC1CCC=CC=1"	"InChI=1S/C7H10O/c1-8-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3"	"LNRUJSUKKBJFOM-UHFFFAOYSA-N"	"?"
"4319"	"25155-25-3"	"Bis(t-butyl dioxyisopropyl)benzene"	"DTXSID7024611"	"CC(C)(C)OOC(C)(C)C1C=CC(=CC=1)C(C)(C)OOC(C)(C)C"	"InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3"	"GWQOYRSARAWVTC-UHFFFAOYSA-N"	"?"
"4320"	"71032-95-6"	"2-Naphthalenesulfonic acid, 7-[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-(phenylazo)phenyl]azo]-, monoacetate (salt)"	"DTXSID0072221"	"CCN(CCCNC1N=C(NC2=CC3=CC(=C(N=NC4C=CC(=CC=4)N=NC4C=CC=CC=4)C(O)=C3C=C2)S(O)(=O)=O)N=C(NCCCN(CC)CC)N=1)CC"	"InChI=1S/C39H50N12O4S/c1-5-50(6-2)24-12-22-40-37-43-38(41-23-13-25-51(7-3)8-4)45-39(44-37)42-32-20-21-33-28(26-32)27-34(56(53,54)55)35(36(33)52)49-48-31-18-16-30(17-19-31)47-46-29-14-10-9-11-15-29/h9-11,14-21,26-27,52H,5-8,12-13,22-25H2,1-4H3,(H,53,54,55)(H3,40,41,42,43,44,45)"	"QLCNEDBYCXIYEP-UHFFFAOYSA-N"	"OC(C)=O"
"4321"	"82875-44-3"	"5-Thiazolecarboxamide, 2-(4-methoxyphenyl)-4-methyl-"	"DTXSID10232052"	"CC1N=C(SC=1C(N)=O)C1C=CC(=CC=1)OC"	"InChI=1S/C12H12N2O2S/c1-7-10(11(13)15)17-12(14-7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H2,13,15)"	"GEXIUKNFKXMXHI-UHFFFAOYSA-N"	"?"
"4322"	"68052-44-8"	"1-Naphthalenol, 2,4-dinitroso-"	"DTXSID0071041"	"OC1C(=CC(N=O)=C2C=CC=CC2=1)N=O"	"InChI=1S/C10H6N2O3/c13-10-7-4-2-1-3-6(7)8(11-14)5-9(10)12-15/h1-5,13H"	"HCQUKMQNUZDSHU-UHFFFAOYSA-N"	"?"
"4323"	"65036-64-8"	"Benzenesulfonic acid, 5-amino-2-[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]-, monosodium salt"	"DTXSID0070152"	"NC1C=C(C(=CC=1)NC1C=C2NC(=O)NC2=CC=1)S(O)(=O)=O"	"InChI=1S/C13H12N4O4S/c14-7-1-3-10(12(5-7)22(19,20)21)15-8-2-4-9-11(6-8)17-13(18)16-9/h1-6,15H,14H2,(H2,16,17,18)(H,19,20,21)"	"NYUSBYCOSGQRRQ-UHFFFAOYSA-N"	"[Na+]"
"4324"	"60012-90-0"			"O=C1OC(CC21CC(CN1CCOCC1)OC2=O)CN1CCOCC1"	"InChI=1S/C17H26N2O6/c20-15-17(9-13(24-15)11-18-1-5-22-6-2-18)10-14(25-16(17)21)12-19-3-7-23-8-4-19/h13-14H,1-12H2"	"AAVPUQJBIGGEBV-UHFFFAOYSA-N"	"?"
"4325"	"111991-09-4"	"Nicosulfuron"	"DTXSID6034764"	"CN(C)C(=O)C1C=CC=NC=1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC"	"InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)"	"RTCOGUMHFFWOJV-UHFFFAOYSA-N"	"?"
"4326"	"71215-92-4"	"Methyl 4-(diphenylamino)hydrocinnamate"	"DTXSID0072302"	"COC(=O)CCC1C=CC(=CC=1)N(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C22H21NO2/c1-25-22(24)17-14-18-12-15-21(16-13-18)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,15-16H,14,17H2,1H3"	"WHZLMSDQPQRIHQ-UHFFFAOYSA-N"	"?"
"4327"	"121-98-2"	"Methyl 4-methoxybenzoate"	"DTXSID7047645"	"COC(=O)C1C=CC(=CC=1)OC"	"InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3"	"DDIZAANNODHTRB-UHFFFAOYSA-N"	"?"
"4328"	"NOCAS_862145"	"CERAPP_27779"	"DTXSID00862145"	"CC1C=CC(=CC=1)C(C)O"	"InChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3"	"JESIHYIJKKUWIS-UHFFFAOYSA-N"	"?"
"4329"	"10403-74-4"	"Benzene, 1,2-bis(phenoxymethyl)-"	"DTXSID0074891"	"C(OC1C=CC=CC=1)C1C=CC=CC=1COC1C=CC=CC=1"	"InChI=1S/C20H18O2/c1-3-11-19(12-4-1)21-15-17-9-7-8-10-18(17)16-22-20-13-5-2-6-14-20/h1-14H,15-16H2"	"JTWBMEAENZGSOQ-UHFFFAOYSA-N"	"?"
"4330"	"24817-51-4"	"2-Phenylethyl 2-methylbutanoate"	"DTXSID2047567"	"CCC(C)C(=O)OCCC1C=CC=CC=1"	"InChI=1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3"	"KVKKTLBBYFABAZ-UHFFFAOYSA-N"	"?"
"4331"	"3352-87-2"	"N,N-Diethyldodecanamide"	"DTXSID5044655"	"CCCCCCCCCCCC(=O)N(CC)CC"	"InChI=1S/C16H33NO/c1-4-7-8-9-10-11-12-13-14-15-16(18)17(5-2)6-3/h4-15H2,1-3H3"	"CWNSVVHTTQBGQB-UHFFFAOYSA-N"	"?"
"4332"	"107-35-7"	"l-Taurine"	"DTXSID3021304"	"NCCS(O)(=O)=O"	"InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)"	"XOAAWQZATWQOTB-UHFFFAOYSA-N"	"?"
"4333"	"53304-46-4"	"beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid"	"DTXSID00201454"	"OC(=O)CCN1N=C2C=CC=CN2C1=O"	"InChI=1S/C9H9N3O3/c13-8(14)4-6-12-9(15)11-5-2-1-3-7(11)10-12/h1-3,5H,4,6H2,(H,13,14)"	"DXVGDKXFBVHCCE-UHFFFAOYSA-N"	"?"
"4334"	"36177-92-1"	"N-Butyl-2,2,6,6-tetramethylpiperidin-4-amine"	"DTXSID7044926"	"CCCCNC1CC(C)(C)NC(C)(C)C1"	"InChI=1S/C13H28N2/c1-6-7-8-14-11-9-12(2,3)15-13(4,5)10-11/h11,14-15H,6-10H2,1-5H3"	"FDAKZQLBIFPGSV-UHFFFAOYSA-N"	"?"
"4335"	"62106-17-6"	"2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-(1-naphthalenylazo)-"	"DTXSID0069541"	"OS(=O)(=O)C1C=C(O)C2C(=CC(=C(N=NC3=CC=CC4=CC=CC=C43)C=2O)S(O)(=O)=O)C=1"	"InChI=1S/C20H14N2O8S2/c23-16-10-13(31(25,26)27)8-12-9-17(32(28,29)30)19(20(24)18(12)16)22-21-15-7-3-5-11-4-1-2-6-14(11)15/h1-10,23-24H,(H,25,26,27)(H,28,29,30)"	"NMBIMCYCRFBUAF-UHFFFAOYSA-N"	"?"
"4336"	"68052-50-6"	"1-Butanaminium, N,N-dibutyl-N-ethyl-, sulfate (1:1)"	"DTXSID0071045"	"CC[N+](CCCC)(CCCC)CCCC"	"InChI=1S/C14H32N/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3/h5-14H2,1-4H3/q+1"	"GFVKHYGXCQWRON-UHFFFAOYSA-N"	"S(O)(=O)(=O)[O-]"
"4337"	"73912-21-7"	"12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 4,8-dicyclohexyl-6-hydroxy-2,10-dimethyl-"	"DTXSID0072778"	"CC1=CC2CC3C=C(C)C=C(C4CCCCC4)C=3OP(O)OC=2C(=C1)C1CCCCC1"	"InChI=1S/C27H35O3P/c1-18-13-22-17-23-14-19(2)16-25(21-11-7-4-8-12-21)27(23)30-31(28)29-26(22)24(15-18)20-9-5-3-6-10-20/h13-16,20-21,28H,3-12,17H2,1-2H3"	"PFUFEQATNPTGNA-UHFFFAOYSA-N"	"?"
"4338"	"NOCAS_870407"	"CERAPP_50744"	"DTXSID00870407"	"NC1C=C2C(=CC=1Cl)C(=O)C1C=CC=CC=1C2=O"	"InChI=1S/C14H8ClNO2/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2"	"VMOJFUJVEWWUAV-UHFFFAOYSA-N"	"?"
"4339"	"NOCAS_864907"	"CERAPP_36894"	"DTXSID00864907"	"C1NCCC(O1)C1C=CC=CC=1"	"InChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-5,10-11H,6-8H2"	"NXRSRCLQERAMPF-UHFFFAOYSA-N"	"?"
"4340"	"71463-71-3"	"Benzoic acid, 2,3,4,6-tetraiodo-"	"DTXSID0072350"	"OC(=O)C1C(I)=CC(I)=C(I)C=1I"	"InChI=1S/C7H2I4O2/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h1H,(H,12,13)"	"BAUFQNBASVMUOB-UHFFFAOYSA-N"	"?"
"4341"	"21743-27-1"	"Morpholine, 4-[(triethoxysilyl)methyl]-"	"DTXSID30885180"	"CCO[Si](CN1CCOCC1)(OCC)OCC"	"InChI=1S/C11H25NO4Si/c1-4-14-17(15-5-2,16-6-3)11-12-7-9-13-10-8-12/h4-11H2,1-3H3"	"UOCZMUZYGLTGHO-UHFFFAOYSA-N"	"?"
"4342"	"67874-24-2"	"Spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazole], 6'-methyl-"	"DTXSID0070732"	"CC1=NC2=CC3OC4(CCCCC4)OC=3C=C2S1"	"InChI=1S/C14H15NO2S/c1-9-15-10-7-11-12(8-13(10)18-9)17-14(16-11)5-3-2-4-6-14/h7-8H,2-6H2,1H3"	"TYNPXUCEDICLGT-UHFFFAOYSA-N"	"?"
"4343"	"NOCAS_862685"	"CERAPP_29505"	"DTXSID00862685"	"CC(CCC1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3"	"PDINXYLAVFUHSA-UHFFFAOYSA-N"	"?"
"4344"	"17438-89-0"	"1-Decene, dimer"	"DTXSID3029314"	"CCCCCCCCC(C)CCCCCCCCC=C"	"InChI=1S/C20H40/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h4,20H,1,5-19H2,2-3H3"	"PJKDPLADZLQFAS-UHFFFAOYSA-N"	"?"
"4345"	"529-96-4"	"Pyridoxamine phosphate"	"DTXSID3046825"	"CC1N=CC(COP(O)(O)=O)=C(CN)C=1O"	"InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)"	"ZMJGSOSNSPKHNH-UHFFFAOYSA-N"	"?"
"4346"	"26005-41-4"	"Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-"	"DTXSID0074398"	"CC1(C)CCCC(C)C1(O)C#C"	"InChI=1S/C11H18O/c1-5-11(12)9(2)7-6-8-10(11,3)4/h1,9,12H,6-8H2,2-4H3"	"PQQOQXUYGRGYEK-UHFFFAOYSA-N"	"?"
"4347"	"71042-69-8"	"5-Benzoxazolesulfonic acid, 2-[[1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]ethylidene]-3-ethyl-2,3-dihydro-"	"DTXSID0072225"	"CC1=NN(C2C=CC(=CC=2)S(O)(=O)=O)C(=O)C1=CC=C1OC2C=CC(=CC=2N1CC)S(O)(=O)=O"	"InChI=1S/C21H19N3O8S2/c1-3-23-18-12-16(34(29,30)31)8-10-19(18)32-20(23)11-9-17-13(2)22-24(21(17)25)14-4-6-15(7-5-14)33(26,27)28/h4-12H,3H2,1-2H3,(H,26,27,28)(H,29,30,31)"	"MMSRNPCMCXOHKO-UHFFFAOYSA-N"	"?"
"4348"	"NOCAS_871030"	"CERAPP_57198"	"DTXSID00871030"	"CCCC(O)CC=C"	"InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3,7-8H,1,4-6H2,2H3"	"AQTUHJABKZECGA-UHFFFAOYSA-N"	"?"
"4349"	"34935-16-5"			"CC(C=O)C(=O)C1=CC=C(C=C1)C1CCCCC1"	"InChI=1S/C16H20O2/c1-12(11-17)16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-13H,2-6H2,1H3"	"AHKVYNGYMYYIPI-UHFFFAOYSA-N"	"?"
"4350"	"64951-30-0"	"Carbamic acid, (1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-piperidinyl)methyl-, ethyl ester, hydrochloride"	"DTXSID00215258"	"CN(C1CCN(CC1)C1N=C2C=C(OC)C(=CC2=C(N)N=1)OC)C(=O)OCC"	"InChI=1S/C19H27N5O4/c1-5-28-19(25)23(2)12-6-8-24(9-7-12)18-21-14-11-16(27-4)15(26-3)10-13(14)17(20)22-18/h10-12H,5-9H2,1-4H3,(H2,20,21,22)"	"WOGGUPDXQPCHRA-UHFFFAOYSA-N"	"Cl"
"4351"	"116337-66-7"	"2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-4-methyl-"	"DTXSID20151361"	"CN1C2C=CC(=CC=2OCC1=O)C(=O)C1C=CC(Cl)=CC=1"	"InChI=1S/C16H12ClNO3/c1-18-13-7-4-11(8-14(13)21-9-15(18)19)16(20)10-2-5-12(17)6-3-10/h2-8H,9H2,1H3"	"COBYWFSQIXISJJ-UHFFFAOYSA-N"	"?"
"4352"	"88977-22-4"			"CC(C)OC(=O)C1C(C(C(=O)OC)C(C)=NC=1C)C1=CC=CC2=NON=C21"	"InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,14,16H,1-5H3"	"QVGAECMHUSHDCG-UHFFFAOYSA-N"	"?"
"4353"	"1119-40-0"	"Dimethyl glutarate"	"DTXSID3025122"	"COC(=O)CCCC(=O)OC"	"InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3"	"XTDYIOOONNVFMA-UHFFFAOYSA-N"	"?"
"4354"	"NOCAS_861698"	"CERAPP_26563"	"DTXSID00861698"	"CCC(C)CN"	"InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3"	"VJROPLWGFCORRM-UHFFFAOYSA-N"	"?"
"4355"	"67990-03-8"	"Phenol, 2,6-dimethyl-4-nonyl-"	"DTXSID0070940"	"CCCCCCCCCC1C=C(C)C(O)=C(C)C=1"	"InChI=1S/C17H28O/c1-4-5-6-7-8-9-10-11-16-12-14(2)17(18)15(3)13-16/h12-13,18H,4-11H2,1-3H3"	"OJFDKJIDBSKDRV-UHFFFAOYSA-N"	"?"
"4356"	"1492-18-8"	"Folinic acid calcium salt"	"DTXSID20872448"	"NC1NC2NCC(CNC3C=CC(=CC=3)C(=O)NC(CCC(O)=O)C(O)=O)N(C=O)C=2C(=O)N=1"	"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)"	"VVIAGPKUTFNRDU-UHFFFAOYSA-N"	"[Ca+2]"
"4357"	"67892-97-1"	"Benzenesulfonamide, 3-hydroxy-4-[[2-hydroxy-8-[(methylsulfonyl)amino]-1-naphthalenyl]azo]-"	"DTXSID0070782"	"CS(=O)(=O)NC1C=CC=C2C=CC(O)=C(N=NC3C=CC(=CC=3O)S(N)(=O)=O)C2=1"	"InChI=1S/C17H16N4O6S2/c1-28(24,25)21-13-4-2-3-10-5-8-14(22)17(16(10)13)20-19-12-7-6-11(9-15(12)23)29(18,26)27/h2-9,21-23H,1H3,(H2,18,26,27)"	"XRGSXTJQRFQENP-UHFFFAOYSA-N"	"?"
"4358"	"71215-95-7"	"1H-Imidazole, 1-(2-chloroethyl)-2-methyl-, monohydrochloride"	"DTXSID0072304"	"CC1=NC=CN1CCCl"	"InChI=1S/C6H9ClN2/c1-6-8-3-5-9(6)4-2-7/h3,5H,2,4H2,1H3"	"PIYNTNXOGGKWDR-UHFFFAOYSA-N"	"Cl"
"4359"	"6840-11-5"	"Phosphonothioic acid, phenyl-, O,O-dimethyl ester"	"DTXSID10218533"	"COP(=S)(OC)C1C=CC=CC=1"	"InChI=1S/C8H11O2PS/c1-9-11(12,10-2)8-6-4-3-5-7-8/h3-7H,1-2H3"	"ANZBDDNZDYFTOL-UHFFFAOYSA-N"	"?"
"4360"	"68310-72-5"	"1H-Imidazolium, 1-ethyl-2-heptadecyl-4,5-dihydro-3-[2-[(1-oxooctadecyl)amino]ethyl]-, ethyl sulfate"	"DTXSID0071419"	"CCCCCCCCCCCCCCCCCC(=O)NCC[N+]1CCN(CC)C=1CCCCCCCCCCCCCCCCC"	"InChI=1S/C42H83N3O/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)43-37-38-45-40-39-44(6-3)42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-40H2,1-3H3/p+1"	"MUJZQIKPTKQHTE-UHFFFAOYSA-O"	"S(OCC)(=O)(=O)[O-]"
"4361"	"947-19-3"	"(1-Hydroxycyclohexyl)(phenyl)methanone"	"DTXSID9044748"	"OC1(CCCCC1)C(=O)C1C=CC=CC=1"	"InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2"	"QNODIIQQMGDSEF-UHFFFAOYSA-N"	"?"
"4362"	"63105-60-2"	"Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester"	"DTXSID0069672"	"COC(=O)C1=C(C=CC(Cl)=C1Cl)[N+]([O-])=O"	"InChI=1S/C8H5Cl2NO4/c1-15-8(12)6-5(11(13)14)3-2-4(9)7(6)10/h2-3H,1H3"	"XWTXRZUNNXJKKF-UHFFFAOYSA-N"	"?"
"4363"	"63165-90-2"	"Acetic acid, [bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]cyano-, ethyl ester"	"DTXSID0069753"	"CCOC(=O)C(C#N)=C1C(C1=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C"	"InChI=1S/C36H45NO4/c1-14-41-32(40)22(19-37)29-27(20-15-23(33(2,3)4)30(38)24(16-20)34(5,6)7)28(29)21-17-25(35(8,9)10)31(39)26(18-21)36(11,12)13/h15-18H,14H2,1-13H3"	"IWYGJMCZNICZCX-UHFFFAOYSA-N"	"?"
"4364"	"67785-74-4"	"1-Undecene, 11,11-bis[(3,7-dimethyl-2,6-octadienyl)oxy]-"	"DTXSID4070584"	"CC(C)=CCCC(C)=CCOC(CCCCCCCCC=C)OCC=C(C)CCC=C(C)C"	"InChI=1S/C31H54O2/c1-8-9-10-11-12-13-14-15-22-31(32-25-23-29(6)20-16-18-27(2)3)33-26-24-30(7)21-17-19-28(4)5/h8,18-19,23-24,31H,1,9-17,20-22,25-26H2,2-7H3"	"QBQQCPSBCXSFTA-UHFFFAOYSA-N"	"?"
"4365"	"75708-29-1"			"CC(C)(CC[n]1c(=O)[nH]c2ccccc12)NCC(O)COC1C=CC=C2C=CC=CC2=1"	"InChI=1S/C25H29N3O3/c1-25(2,14-15-28-22-12-6-5-11-21(22)27-24(28)30)26-16-19(29)17-31-23-13-7-9-18-8-3-4-10-20(18)23/h3-13,19,26,29H,14-17H2,1-2H3,(H,27,30)"	"YWRIUGFSIQMHJK-UHFFFAOYSA-N"	"O.Cl"
"4366"	"1918-11-2"	"Terbucarb"	"DTXSID1042441"	"CC1C=C(C(OC(=O)NC)=C(C=1)C(C)(C)C)C(C)(C)C"	"InChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)"	"PNRAZZZISDRWMV-UHFFFAOYSA-N"	"?"
"4367"	"1624-62-0"	"Estrone 3-methyl ether"	"DTXSID40167368"	"COC1=CC2CCC3C4CCC(=O)C4(C)CCC3C=2C=C1"	"InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3"	"BCWWDWHFBMPLFQ-UHFFFAOYSA-N"	"?"
"4368"	"68594-62-7"	"2-Naphthalenesulfonic acid, 5-[[4-(acetylamino)-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxy-"	"DTXSID0071702"	"CC(=O)NC1=CC(=C(C=C1)N=NC1=C(N)C=CC2=CC(=CC(O)=C21)S(O)(=O)=O)C(F)(F)F"	"InChI=1S/C19H15F3N4O5S/c1-9(27)24-11-3-5-15(13(7-11)19(20,21)22)25-26-18-14(23)4-2-10-6-12(32(29,30)31)8-16(28)17(10)18/h2-8,28H,23H2,1H3,(H,24,27)(H,29,30,31)"	"WZMFZOXPBUCMPA-UHFFFAOYSA-N"	"?"
"4369"	"115964-29-9"	"Tosufloxacin toluenesulfonic acid"	"DTXSID8047842"	"NC1CN(CC1)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=CC=C(F)C=C1F)C(O)=O"	"InChI=1S/C19H15F3N4O3/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29)"	"WUWFMDMBOJLQIV-UHFFFAOYSA-N"	"C1(=CC=C(C)C=C1)S(=O)(O)=O"
"4370"	"67939-05-3"	"Benzenesulfonic acid, 4-[[2,4-dihydroxy-3-[(4-methylphenyl)azo]phenyl]azo]-, monosodium salt"	"DTXSID0070865"	"CC1C=CC(=CC=1)N=NC1=C(O)C(=CC=C1O)N=NC1C=CC(=CC=1)S(O)(=O)=O"	"InChI=1S/C19H16N4O5S/c1-12-2-4-13(5-3-12)21-23-18-17(24)11-10-16(19(18)25)22-20-14-6-8-15(9-7-14)29(26,27)28/h2-11,24-25H,1H3,(H,26,27,28)"	"HRUNBSJFZFZGQR-UHFFFAOYSA-N"	"[Na+]"
"4371"	"51867-77-7"	"2-Naphthalenecarboxylic acid, 4-[(2,5-dichlorophenyl)azo]-3-hydroxy-"	"DTXSID3068677"	"OC1C(=CC2C=CC=CC=2C=1N=NC1C=C(Cl)C=CC=1Cl)C(O)=O"	"InChI=1S/C17H10Cl2N2O3/c18-10-5-6-13(19)14(8-10)20-21-15-11-4-2-1-3-9(11)7-12(16(15)22)17(23)24/h1-8,22H,(H,23,24)"	"RZUULGTVQSQSES-UHFFFAOYSA-N"	"?"
"4372"	"54941-82-1"	"1H-Imidazole, 1-(4-chlorobenzoyl)-2-phenyl-"	"DTXSID30203461"	"O=C(C1C=CC(Cl)=CC=1)N1C=CN=C1C1C=CC=CC=1"	"InChI=1S/C16H11ClN2O/c17-14-8-6-13(7-9-14)16(20)19-11-10-18-15(19)12-4-2-1-3-5-12/h1-11H"	"YUJCWKIOCRLJEG-UHFFFAOYSA-N"	"?"
"4373"	"78-12-6"			"OC(OCC(COC(O)C(Cl)(Cl)Cl)(COC(O)C(Cl)(Cl)Cl)COC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"	"InChI=1S/C13H16Cl12O8/c14-10(15,16)5(26)30-1-9(2-31-6(27)11(17,18)19,3-32-7(28)12(20,21)22)4-33-8(29)13(23,24)25/h5-8,26-29H,1-4H2"	"OKACKALPXHBEMA-UHFFFAOYSA-N"	"?"
"4374"	"67990-10-7"	"Acetamide, N-[2-(tetradecyloxy)phenyl]-"	"DTXSID0070946"	"CC(=O)NC1=CC=CC=C1OCCCCCCCCCCCCCC"	"InChI=1S/C22H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-25-22-18-15-14-17-21(22)23-20(2)24/h14-15,17-18H,3-13,16,19H2,1-2H3,(H,23,24)"	"KRMVKLLDHVNWEK-UHFFFAOYSA-N"	"?"
"4375"	"71820-49-0"	"4-Heptanone, 3-(phenylmethylene)-"	"DTXSID0072433"	"CCC(=CC1C=CC=CC=1)C(=O)CCC"	"InChI=1S/C14H18O/c1-3-8-14(15)13(4-2)11-12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3"	"YOFZPPBYHUNSNX-UHFFFAOYSA-N"	"?"
"4376"	"67828-32-4"	"2,7-Naphthalenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]-"	"DTXSID0070659"	"CCN(CC)C1C=CC(=CC=1)C(C1C=C(C=C2C=C(C=CC2=1)S(O)(=O)=O)S(O)(=O)=O)C1C=CC(=CC=1)N(CC)CC"	"InChI=1S/C31H36N2O6S2/c1-5-32(6-2)25-13-9-22(10-14-25)31(23-11-15-26(16-12-23)33(7-3)8-4)30-21-28(41(37,38)39)20-24-19-27(40(34,35)36)17-18-29(24)30/h9-21,31H,5-8H2,1-4H3,(H,34,35,36)(H,37,38,39)"	"IGQUBTSSKFJNGK-UHFFFAOYSA-N"	"?"
"4377"	"NOCAS_866461"	"CERAPP_41361"	"DTXSID00866461"	"N#CN=C1NC(=O)CC(=O)N1"	"InChI=1S/C5H4N4O2/c6-2-7-5-8-3(10)1-4(11)9-5/h1H2,(H2,7,8,9,10,11)"	"JCHNBNRIALLIDT-UHFFFAOYSA-N"	"?"
"4378"	"142-91-6"	"Hexadecanoic acid, 1-methylethyl ester"	"DTXSID9027104"	"CCCCCCCCCCCCCCCC(=O)OC(C)C"	"InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3"	"XUGNVMKQXJXZCD-UHFFFAOYSA-N"	"?"
"4379"	"987-65-5"	"Adenosine triphosphate disodium"	"DTXSID80891312"	"NC1N=CN=C2C=1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O"	"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)"	"ZKHQWZAMYRWXGA-UHFFFAOYSA-N"	"[Na+].[Na+]"
"4380"	"72333-07-4"	"Ethanol, 2,2',2''-nitrilotris-, compd. with 2-phenoxyethyl phosphate"	"DTXSID0072568"	"OP(O)(=O)OCCOC1C=CC=CC=1"	"InChI=1S/C8H11O5P/c9-14(10,11)13-7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)"	"KSTDNMVCVQWPJG-UHFFFAOYSA-N"	"N(CCO)(CCO)CCO"
"4381"	"70900-30-0"	"Benzenesulfonic acid, 5-(acetylamino)-3-amino-2-methoxy-"	"DTXSID0072190"	"CC(=O)NC1C=C(C(OC)=C(N)C=1)S(O)(=O)=O"	"InChI=1S/C9H12N2O5S/c1-5(12)11-6-3-7(10)9(16-2)8(4-6)17(13,14)15/h3-4H,10H2,1-2H3,(H,11,12)(H,13,14,15)"	"IGLOCMMNXMYDKL-UHFFFAOYSA-N"	"?"
"4382"	"62669-73-2"	"2H-Pyrano[3,2-g]quinolin-2-one, 6,7,8,9-tetrahydro-4-methyl-"	"DTXSID0069620"	"CC1=CC(=O)OC2=CC3NCCCC=3C=C21"	"InChI=1S/C13H13NO2/c1-8-5-13(15)16-12-7-11-9(6-10(8)12)3-2-4-14-11/h5-7,14H,2-4H2,1H3"	"PZTQNUMZYIQRGY-UHFFFAOYSA-N"	"?"
"4383"	"67338-60-7"	"2-Naphthalenecarboxylic acid, 5-amino-1-hydroxy-"	"DTXSID0070491"	"NC1=CC=CC2C1=CC=C(C(O)=O)C=2O"	"InChI=1S/C11H9NO3/c12-9-3-1-2-7-6(9)4-5-8(10(7)13)11(14)15/h1-5,13H,12H2,(H,14,15)"	"FTFXTBBEMSWGHU-UHFFFAOYSA-N"	"?"
"4384"	"NOCAS_861678"	"CERAPP_26488"	"DTXSID00861678"	"CC1CC(OC(=O)CC(C)C)C(CC1)C(C)C"	"InChI=1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3"	"VYQSSWZYPCCBRN-UHFFFAOYSA-N"	"?"
"4385"	"63870-52-0"	"2,7-Naphthalenedisulfonyl dichloride, 4-(acetylamino)-5-(acetyloxy)-"	"DTXSID0070023"	"CC(=O)OC1=CC(=CC2=CC(=CC(NC(C)=O)=C21)S(=O)(=O)Cl)S(=O)(=O)Cl"	"InChI=1S/C14H11Cl2NO7S2/c1-7(18)17-12-5-10(25(15,20)21)3-9-4-11(26(16,22)23)6-13(14(9)12)24-8(2)19/h3-6H,1-2H3,(H,17,18)"	"NCIHDHOLVYAWTA-UHFFFAOYSA-N"	"?"
"4386"	"NOCAS_867337"	"CERAPP_43397"	"DTXSID00867337"	"CC(C)=CCCC(C)CC(N1C=CC2C=CC=CC1=2)N1C=CC2C=CC=CC1=2"	"InChI=1S/C26H30N2/c1-20(2)9-8-10-21(3)19-26(27-17-15-22-11-4-6-13-24(22)27)28-18-16-23-12-5-7-14-25(23)28/h4-7,9,11-18,21,26H,8,10,19H2,1-3H3"	"RYWJPLGWOMDLNH-UHFFFAOYSA-N"	"?"
"4387"	"40530-60-7"	"Carbonic acid, 2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl ethyl ester"	"DTXSID5068235"	"CCOC(=O)OCCOC1C=C(O)C2=C(C=1N)C(=O)C1=CC=CC=C1C2=O"	"InChI=1S/C19H17NO7/c1-2-25-19(24)27-8-7-26-13-9-12(21)14-15(16(13)20)18(23)11-6-4-3-5-10(11)17(14)22/h3-6,9,21H,2,7-8,20H2,1H3"	"GLVDLLVMSDGVDA-UHFFFAOYSA-N"	"?"
"4388"	"65907-69-9"	"2-Naphthalenecarboxamide, 4-[(4-chloro-2-methylphenyl)azo]-N-(2-ethoxyphenyl)-3-hydroxy-"	"DTXSID0070368"	"CC1C=C(Cl)C=CC=1N=NC1C(O)=C(C=C2C=CC=CC2=1)C(=O)NC1C=CC=CC=1OCC"	"InChI=1S/C26H22ClN3O3/c1-3-33-23-11-7-6-10-22(23)28-26(32)20-15-17-8-4-5-9-19(17)24(25(20)31)30-29-21-13-12-18(27)14-16(21)2/h4-15,31H,3H2,1-2H3,(H,28,32)"	"PBZAQXHQPHZWIF-UHFFFAOYSA-N"	"?"
"4389"	"NOCAS_868122"	"CERAPP_45528"	"DTXSID00868122"	"CC(CSCC(C)C(=O)OC)C(=O)OC"	"InChI=1S/C10H18O4S/c1-7(9(11)13-3)5-15-6-8(2)10(12)14-4/h7-8H,5-6H2,1-4H3"	"CMQPKQNBMBISIV-UHFFFAOYSA-N"	"?"
"4390"	"NOCAS_863713"	"CERAPP_32264"	"DTXSID00863713"	"CC(CO)OC(C)=O"	"InChI=1S/C5H10O3/c1-4(3-6)8-5(2)7/h4,6H,3H2,1-2H3"	"YJNKLTDJZSXVHQ-UHFFFAOYSA-N"	"?"
"4391"	"63105-53-3"	"Benzoic acid, 3,4-dichloro-5-nitro-, methyl ester"	"DTXSID0069670"	"COC(=O)C1C=C(Cl)C(Cl)=C(C=1)[N+]([O-])=O"	"InChI=1S/C8H5Cl2NO4/c1-15-8(12)4-2-5(9)7(10)6(3-4)11(13)14/h2-3H,1H3"	"XHIKDBWLWFGQEC-UHFFFAOYSA-N"	"?"
"4392"	"117570-93-1"	"2-[2-(Carboxymethyl)phenoxy]-3,4-dimethylbenzoic acid"	"DTXSID40564999"	"CC1C=CC(=C(OC2=CC=CC=C2CC(O)=O)C=1C)C(O)=O"	"InChI=1S/C17H16O5/c1-10-7-8-13(17(20)21)16(11(10)2)22-14-6-4-3-5-12(14)9-15(18)19/h3-8H,9H2,1-2H3,(H,18,19)(H,20,21)"	"QVNLAQHWWITQLH-UHFFFAOYSA-N"	"?"
"4393"	"63165-92-4"	"2,5-Cyclohexadien-1-one, 4,4'-[3-(2,3,4,5-tetrachloro-2,4-cyclopentadien-1-ylidene)-1,2-cyclopropanediylidene]bis[2,6-bis(1,1-dimethylethyl)-"	"DTXSID0069755"	"CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)=C1C(C1=C1C(Cl)=C(Cl)C(Cl)=C1Cl)=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C"	"InChI=1S/C36H40Cl4O2/c1-33(2,3)19-13-17(14-20(31(19)41)34(4,5)6)23-24(25(23)26-27(37)29(39)30(40)28(26)38)18-15-21(35(7,8)9)32(42)22(16-18)36(10,11)12/h13-16H,1-12H3"	"FCTBSPVIRNBFRV-UHFFFAOYSA-N"	"?"
"4394"	"101708-04-7"	"1H-Pyrazolecarboxamide, 4-bromo-5-methyl-N-(3-(trifluoromethyl)phenyl)-"	"DTXSID20144137"	"CC1NN=C(C(=O)NC2=CC(=CC=C2)C(F)(F)F)C=1Br"	"InChI=1S/C12H9BrF3N3O/c1-6-9(13)10(19-18-6)11(20)17-8-4-2-3-7(5-8)12(14,15)16/h2-5H,1H3,(H,17,20)(H,18,19)"	"SAVMNLAMXVSNRW-UHFFFAOYSA-N"	"?"
"4395"	"89567-03-3"	"2-Chloromethyl-5,6,7,8-tetrahydrobenzo(b)thieno(2,3-d)pyrimidin-4(3H)-one"	"DTXSID90237782"	"O=C1NC(CCl)=NC2SC3CCCCC=3C=21"	"InChI=1S/C11H11ClN2OS/c12-5-8-13-10(15)9-6-3-1-2-4-7(6)16-11(9)14-8/h1-5H2,(H,13,14,15)"	"GDHMBNWVLWMONW-UHFFFAOYSA-N"	"?"
"4396"	"515-69-5"	"Bisabolol"	"DTXSID5045964"	"CC(C)=CCCC(C)(O)C1CC=C(C)CC1"	"InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3"	"RGZSQWQPBWRIAQ-UHFFFAOYSA-N"	"?"
"4397"	"67939-24-6"	"1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-cyclooctyl-"	"DTXSID0070867"	"O=C1C2C(=C(Cl)C(Cl)=C(Cl)C=2Cl)C(=O)N1C1CCCCCCC1"	"InChI=1S/C16H15Cl4NO2/c17-11-9-10(12(18)14(20)13(11)19)16(23)21(15(9)22)8-6-4-2-1-3-5-7-8/h8H,1-7H2"	"BUZJUKRHYPZXHT-UHFFFAOYSA-N"	"?"
"4398"	"63123-20-6"	"Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-methyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1)"	"DTXSID0069676"	"C[N+]1=C(C=C(CC)OCC)OC2=CC=C(C=C12)C1C=CC=CC=1"	"InChI=1S/C20H22NO2/c1-4-17(22-5-2)14-20-21(3)18-13-16(11-12-19(18)23-20)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3/q+1"	"IRWDXJONZAQKHI-UHFFFAOYSA-N"	"C1=CC(S(=O)(=O)[O-])=CC=C1C"
"4399"	"68958-49-6"	"Stearic acid diamide with 3-[[2-[(2-aminoethyl)amino]ethyl]amino]propanenitrile"	"DTXSID0071916"	"CCCCCCCCCCCCCCCCCC(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCC)CCNCCC#N"	"InChI=1S/C43H84N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(48)46-39-41-47(40-38-45-37-33-36-44)43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45H,3-35,37-41H2,1-2H3,(H,46,48)"	"GSDRHHBTWYHUJM-UHFFFAOYSA-N"	"?"
"4400"	"61433-43-0"	"1,5-Naphthalenedisulfonic acid, 2-[[1-hydroxy-6-(methylamino)-3-sulfo-2-naphthalenyl]azo]-"	"DTXSID0069468"	"CNC1=CC2=CC(=C(N=NC3=CC=C4C(=CC=CC4=C3S(O)(=O)=O)S(O)(=O)=O)C(O)=C2C=C1)S(O)(=O)=O"	"InChI=1S/C21H17N3O10S3/c1-22-12-5-6-13-11(9-12)10-18(36(29,30)31)19(20(13)25)24-23-16-8-7-14-15(21(16)37(32,33)34)3-2-4-17(14)35(26,27)28/h2-10,22,25H,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)"	"KEVWBQLRZVBFCW-UHFFFAOYSA-N"	"?"
"4401"	"72239-29-3"	"Thiazolamine, 4,5-dihydro-N-((4-chlorophenyl)methyl)-"	"DTXSID80222566"	"ClC1=CC=C(CNC2=NCCS2)C=C1"	"InChI=1S/C10H11ClN2S/c11-9-3-1-8(2-4-9)7-13-10-12-5-6-14-10/h1-4H,5-7H2,(H,12,13)"	"IASPZIUPJFUGFE-UHFFFAOYSA-N"	"?"
"4402"	"1622-61-3"	"Clonazepam"	"DTXSID1022845"	"[O-][N+](=O)C1=CC2C(=NCC(=O)NC=2C=C1)C1=CC=CC=C1Cl"	"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)"	"DGBIGWXXNGSACT-UHFFFAOYSA-N"	"?"
"4403"	"110-27-0"	"Isopropyl tetradecanoic acid"	"DTXSID0026838"	"CCCCCCCCCCCCCC(=O)OC(C)C"	"InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3"	"AXISYYRBXTVTFY-UHFFFAOYSA-N"	"?"
"4404"	"666816-98-4"	"8-Bromo-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione"	"DTXSID40610667"	"CN1C2N=C(Br)N(CC#CC)C=2C(=O)NC1=O"	"InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)"	"HFZOBQSHTNNKFY-UHFFFAOYSA-N"	"?"
"4405"	"189624-86-0"			"CC1=NC(C)(C(C(C1C(=O)OC=C)C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC)C1C=CC(=CC=1)N1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1"	"InChI=1S/C41H42N4O6/c1-5-51-39(46)35-28(2)42-41(3,37(40(47)50-4)36(35)31-17-12-18-34(27-31)45(48)49)32-19-21-33(22-20-32)43-23-25-44(26-24-43)38(29-13-8-6-9-14-29)30-15-10-7-11-16-30/h5-22,27,35-38H,1,23-26H2,2-4H3"	"ZRZMLQZVIFIZMY-UHFFFAOYSA-N"	"Cl.Cl"
"4406"	"121625-71-6"	"C 8778-GO"	"DTXSID40153322"	"CC1=C(CC(O)=O)C2=C(CC(C)(C)CC2=O)N1CCCC"	"InChI=1S/C17H25NO3/c1-5-6-7-18-11(2)12(8-15(20)21)16-13(18)9-17(3,4)10-14(16)19/h5-10H2,1-4H3,(H,20,21)"	"SASMKVAGXNJWKP-UHFFFAOYSA-N"	"?"
"4407"	"67939-33-7"	"2-Propenoic acid, 2-methyl-, 2-[ethyl[(nonafluorobutyl)sulfonyl]amino]ethyl ester"	"DTXSID0070869"	"CC(=C)C(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	"InChI=1S/C12H14F9NO4S/c1-4-22(5-6-26-8(23)7(2)3)27(24,25)12(20,21)10(15,16)9(13,14)11(17,18)19/h2,4-6H2,1,3H3"	"DSOQNQBWSKFGJG-UHFFFAOYSA-N"	"?"
"4408"	"112764-00-8"	"3-Hexyl-4-hydroxy-6-undecyl-5,6-dihydro-2H-pyran-2-one"	"DTXSID00715743"	"CCCCCCCCCCCC1CC(O)=C(CCCCCC)C(=O)O1"	"InChI=1S/C22H40O3/c1-3-5-7-9-10-11-12-13-14-16-19-18-21(23)20(22(24)25-19)17-15-8-6-4-2/h19,23H,3-18H2,1-2H3"	"BLXCWAINNUGTQE-UHFFFAOYSA-N"	"?"
"4409"	"NOCAS_867756"	"CERAPP_44677"	"DTXSID00867756"	"CC1(C)C2CC(C3CC(OC)C(O)CC3)C1(C)CC2"	"InChI=1S/C17H30O2/c1-16(2)12-7-8-17(16,3)13(10-12)11-5-6-14(18)15(9-11)19-4/h11-15,18H,5-10H2,1-4H3"	"QYJBELHRBOPNBJ-UHFFFAOYSA-N"	"?"
"4410"	"717-74-8"	"1,3,5-Triisopropylbenzene"	"DTXSID4041232"	"CC(C)C1C=C(C=C(C=1)C(C)C)C(C)C"	"InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3"	"VUMCUSHVMYIRMB-UHFFFAOYSA-N"	"?"
"4411"	"56-09-7"	"2-Amino-6-hydroxy-1H-pyrimidin-4-one"	"DTXSID3052222"	"NC1NC(=O)CC(=O)N=1"	"InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H2,(H3,5,6,7,8,9)"	"BTYNVOQLMBUUMS-UHFFFAOYSA-N"	"?"
"4412"	"708-06-5"	"1-Naphthalenecarboxaldehyde, 2-hydroxy-"	"DTXSID9061041"	"OC1=CC=C2C=CC=CC2=C1C=O"	"InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H"	"NTCCNERMXRIPTR-UHFFFAOYSA-N"	"?"
"4413"	"119462-56-5"	"1H-Pyrrole-2,5-dione, 1,1'-[1,3-phenylenebis(methylene)]bis[3-methyl-"	"DTXSID0073081"	"CC1=CC(=O)N(CC2C=C(CN3C(=O)C(C)=CC3=O)C=CC=2)C1=O"	"InChI=1S/C18H16N2O4/c1-11-6-15(21)19(17(11)23)9-13-4-3-5-14(8-13)10-20-16(22)7-12(2)18(20)24/h3-8H,9-10H2,1-2H3"	"MIIBUHIQXLFJFP-UHFFFAOYSA-N"	"?"
"4414"	"5459-04-1"	"Ethylene glycol diacetoacetate"	"DTXSID00203019"	"CC(=O)CC(=O)OCCOC(=O)CC(C)=O"	"InChI=1S/C10H14O6/c1-7(11)5-9(13)15-3-4-16-10(14)6-8(2)12/h3-6H2,1-2H3"	"SJCUPJATWUWGAV-UHFFFAOYSA-N"	"?"
"4415"	"68797-74-0"	"4-tert-Butylcyclohexyl hexanoate"	"DTXSID0071754"	"CCCCCC(=O)OC1CCC(CC1)C(C)(C)C"	"InChI=1S/C16H30O2/c1-5-6-7-8-15(17)18-14-11-9-13(10-12-14)16(2,3)4/h13-14H,5-12H2,1-4H3"	"BSARXNDZALPCHW-UHFFFAOYSA-N"	"?"
"4416"	"92484-48-5"	"Benzenesulfonic acid, 3-(2H-benzotriazol-2-yl)-4-hydroxy-5-(1-methylpropyl)-, sodium salt (1:1)"	"DTXSID00888244"	"CCC(C)C1=CC(=CC(=C1O)N1N=C2C=CC=CC2=N1)S(O)(=O)=O"	"InChI=1S/C16H17N3O4S/c1-3-10(2)12-8-11(24(21,22)23)9-15(16(12)20)19-17-13-6-4-5-7-14(13)18-19/h4-10,20H,3H2,1-2H3,(H,21,22,23)"	"RUFMFWSJTRYOPL-UHFFFAOYSA-N"	"[Na+]"
"4417"	"62669-75-4"	"1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, 1,1-dimethylethyl ester"	"DTXSID0069622"	"CC(C)(C)OC(=O)C1=CC2=CC3CCCN4CCCC(C4=3)=C2OC1=O"	"InChI=1S/C20H23NO4/c1-20(2,3)25-19(23)15-11-13-10-12-6-4-8-21-9-5-7-14(16(12)21)17(13)24-18(15)22/h10-11H,4-9H2,1-3H3"	"XSHJSSYQUYNTBG-UHFFFAOYSA-N"	"?"
"4418"	"120611-30-5"	"Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, salt with trifluoromethanesulfonic acid (1:1)"	"DTXSID0073085"	"COC(=O)C1C=CC=CC=1C1C2=CC=C(C=C2OC2=CC(C=CC2=1)=[N+](CC)CC)N(CC)CC"	"InChI=1S/C29H33N2O3/c1-6-30(7-2)20-14-16-24-26(18-20)34-27-19-21(31(8-3)9-4)15-17-25(27)28(24)22-12-10-11-13-23(22)29(32)33-5/h10-19H,6-9H2,1-5H3/q+1"	"CKMFJWCEQQYCLE-UHFFFAOYSA-N"	"S(=O)(=O)(C(F)(F)F)[O-]"
"4419"	"67412-53-7"	"3-Chloro-2,2-dimethylpropyl bis(dichloropropyl) phosphate"	"DTXSID0070495"	"CC(C)(COP(=O)(OCCC(Cl)Cl)OCCC(Cl)Cl)CCl"	"InChI=1S/C11H20Cl5O4P/c1-11(2,7-12)8-20-21(17,18-5-3-9(13)14)19-6-4-10(15)16/h9-10H,3-8H2,1-2H3"	"PVFRRNSHBYXYSN-UHFFFAOYSA-N"	"?"
"4420"	"68140-94-3"	"2-Benzothiazolamine, 4-hydrazino-"	"DTXSID0071174"	"NNC1C=CC=C2SC(=N)NC=12"	"InChI=1S/C7H8N4S/c8-7-10-6-4(11-9)2-1-3-5(6)12-7/h1-3,11H,9H2,(H2,8,10)"	"VRMKCGYEAQPCHY-UHFFFAOYSA-N"	"?"
"4421"	"87444-09-5"			"COC1C=CC=CC=1C1C(Cl)C(=O)N1NC(=O)C1C=CC=CC=1O"	"InChI=1S/C17H15ClN2O4/c1-24-13-9-5-3-7-11(13)15-14(18)17(23)20(15)19-16(22)10-6-2-4-8-12(10)21/h2-9,14-15,21H,1H3,(H,19,22)"	"JLFHUGXYBUGWLP-UHFFFAOYSA-N"	"?"
"4422"	"62707-55-5"	"2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)"	"DTXSID0069628"	"NC1C2=C(C(=CC=1S(O)(=O)=O)NC1C=CC=CC=1)C(=O)C1=CC=CC=C1C2=O"	"InChI=1S/C20H14N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2,(H,25,26,27)"	"OPBOOIFXQHPAPJ-UHFFFAOYSA-N"	"N(CCO)(CCO)CCO"
"4423"	"68109-75-1"	"1H-Pyrrole, 1-cyclohexyl-2,5-dihydro-"	"DTXSID0071091"	"C1C=CCN1C1CCCCC1"	"InChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h4-5,10H,1-3,6-9H2"	"MKLOLLWXCNJJKG-UHFFFAOYSA-N"	"?"
"4424"	"NOCAS_862403"	"CERAPP_28610"	"DTXSID00862403"	"CCCC(N)C(O)=O"	"InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)"	"SNDPXSYFESPGGJ-UHFFFAOYSA-N"	"?"
"4425"	"114-83-0"	"1-Acetyl-2-phenylhydrazine"	"DTXSID1020015"	"CC(=O)NNC1C=CC=CC=1"	"InChI=1S/C8H10N2O/c1-7(11)9-10-8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11)"	"UICBCXONCUFSOI-UHFFFAOYSA-N"	"?"
"4426"	"NOCAS_867498"	"CERAPP_43857"	"DTXSID00867498"	"CC(CCC(CCCC)CC)C=O"	"InChI=1S/C12H24O/c1-4-6-7-12(5-2)9-8-11(3)10-13/h10-12H,4-9H2,1-3H3"	"VITZPKQAMWMVFA-UHFFFAOYSA-N"	"?"
"4427"	"2002-29-1"	"Flumethasone pivalate"	"DTXSID7049005"	"CC(C)(C)C(=O)OCC(=O)C1(O)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C"	"InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3"	"JWRMHDSINXPDHB-UHFFFAOYSA-N"	"?"
"4428"	"62625-24-5"	"Ethanone, 2-bromo-1-[4-(phenylazo)phenyl]-"	"DTXSID0069595"	"O=C(CBr)C1C=CC(=CC=1)N=NC1C=CC=CC=1"	"InChI=1S/C14H11BrN2O/c15-10-14(18)11-6-8-13(9-7-11)17-16-12-4-2-1-3-5-12/h1-9H,10H2"	"ZXTGCMLCYPYCID-UHFFFAOYSA-N"	"?"
"4429"	"NOCAS_866027"	"CERAPP_40195"	"DTXSID00866027"	"CC(=O)CC1CCC(=O)C1CCCCC"	"InChI=1S/C13H22O2/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15/h11-12H,3-9H2,1-2H3"	"PMVDYAQAPLAXSY-UHFFFAOYSA-N"	"?"
"4430"	"67567-23-1"	"Ethyl 3,3-bis(tert-amylperoxy)butyrate"	"DTXSID0070499"	"CC(CC(=O)OCC)(OOC(C)(C)CC)OOC(C)(C)CC"	"InChI=1S/C16H32O6/c1-9-14(4,5)19-21-16(8,12-13(17)18-11-3)22-20-15(6,7)10-2/h9-12H2,1-8H3"	"NICWAKGKDIAMOD-UHFFFAOYSA-N"	"?"
"4431"	"166022-16-8"	"Menthone-8-thioacetate, cis-"	"DTXSID10168064"	"CC(=O)SC(C)(C)C1CCC(C)CC1=O"	"InChI=1S/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3"	"AMXPURQVAMENCC-UHFFFAOYSA-N"	"?"
"4432"	"130365-34-3"			"CCCCCCCCCCCCCCCCNP1(=S)OCC2C=C(C=CC=2O1)[N+]([O-])=O"	"InChI=1S/C23H39N2O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-30(31)28-20-21-19-22(25(26)27)16-17-23(21)29-30/h16-17,19H,2-15,18,20H2,1H3,(H,24,31)"	"LBDUPNUHUSLPMT-UHFFFAOYSA-N"	"?"
"4433"	"81131-70-6"	"Pravastatin sodium"	"DTXSID6047525"	"CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C21"	"InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)"	"TUZYXOIXSAXUGO-UHFFFAOYSA-N"	"[Na+]"
"4434"	"2627-95-4"	"1,3-Divinyl-1,1,3,3-tetramethyl disiloxane"	"DTXSID7038810"	"C[Si](C)(C=C)O[Si](C)(C)C=C"	"InChI=1S/C8H18OSi2/c1-7-10(3,4)9-11(5,6)8-2/h7-8H,1-2H2,3-6H3"	"BITPLIXHRASDQB-UHFFFAOYSA-N"	"?"
"4435"	"66309-69-1"	"Cefotiam hydrochloride"	"DTXSID1045538"	"CN(C)CCN1N=NN=C1SCC1CSC2C(NC(=O)CC3=CSC(N)=N3)C(=O)N2C=1C(O)=O"	"InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)"	"QYQDKDWGWDOFFU-UHFFFAOYSA-N"	"Cl"
"4436"	"NOCAS_863536"	"CERAPP_31807"	"DTXSID00863536"	"CCOC(C)OC1C=CC=CC=1"	"InChI=1S/C10H14O2/c1-3-11-9(2)12-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3"	"WDAPDTRODNUPPB-UHFFFAOYSA-N"	"?"
"4437"	"1638-86-4"	"Phosphonous acid, phenyl-, diethyl ester"	"DTXSID8061840"	"CCOP(OCC)C1C=CC=CC=1"	"InChI=1S/C10H15O2P/c1-3-11-13(12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3"	"RVDJLKVICMLVJQ-UHFFFAOYSA-N"	"?"
"4438"	"1113-21-9"	"1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (6E,10E)-"	"DTXSID70883645"	"CC(C)=CCCC(C)=CCCC(C)=CCCC(C)(O)C=C"	"InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3"	"IQDXAJNQKSIPGB-UHFFFAOYSA-N"	"?"
"4439"	"2501-94-2"	"Phosphine, (1,1-dimethylethyl)-"	"DTXSID0074396"	"CC(C)(C)P"	"InChI=1S/C4H11P/c1-4(2,3)5/h5H2,1-3H3"	"ZGNPLWZYVAFUNZ-UHFFFAOYSA-N"	"?"
"4440"	"127-06-0"	"Acetoxime"	"DTXSID6020010"	"CC(C)N=O"	"InChI=1S/C3H7NO/c1-3(2)4-5/h3H,1-2H3"	"NDEOFSCLJFPNSR-UHFFFAOYSA-N"	"?"
"4441"	"63494-84-8"	"Benzoic acid, (2-methylpropylidene)hydrazide"	"DTXSID0069913"	"CC(C)CN=NC(=O)C1C=CC=CC=1"	"InChI=1S/C11H14N2O/c1-9(2)8-12-13-11(14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3"	"KVUBLUARNWYBSD-UHFFFAOYSA-N"	"?"
"4442"	"74223-64-6"	"Metsulfuron-methyl"	"DTXSID6023864"	"CC1N=C(N=C(NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)N=1)OC"	"InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)"	"RSMUVYRMZCOLBH-UHFFFAOYSA-N"	"?"
"4443"	"121246-56-8"	"2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-"	"DTXSID0073087"	"CN(C)C1C=CC(CC2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)=CC=1"	"InChI=1S/C25H35N3O3/c1-26(2)19-15-13-18(14-16-19)17-22-23(29)27(20-9-5-3-6-10-20)25(31)28(24(22)30)21-11-7-4-8-12-21/h13-16,20-22H,3-12,17H2,1-2H3"	"YZJGYZJSYDEHTP-UHFFFAOYSA-N"	"?"
"4444"	"841-06-5"	"Methoprotryne"	"DTXSID2040286"	"COCCCNC1N=C(N=C(NC(C)C)N=1)SC"	"InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)"	"DDUIUBPJPOKOMV-UHFFFAOYSA-N"	"?"
"4445"	"NOCAS_866426"	"CERAPP_41280"	"DTXSID00866426"	"CC(C)=CCCC1CC(C)(C(C)CC=1)C(C)=O"	"InChI=1S/C16H26O/c1-12(2)7-6-8-15-10-9-13(3)16(5,11-15)14(4)17/h7,10,13H,6,8-9,11H2,1-5H3"	"YNSQAMYQFKBNTH-UHFFFAOYSA-N"	"?"
"4446"	"71173-72-3"	"[Bis[4-(dimethylamino)phenyl]methyl]urea"	"DTXSID0072273"	"CN(C)C1C=CC(=CC=1)C(NC(N)=O)C1C=CC(=CC=1)N(C)C"	"InChI=1S/C18H24N4O/c1-21(2)15-9-5-13(6-10-15)17(20-18(19)23)14-7-11-16(12-8-14)22(3)4/h5-12,17H,1-4H3,(H3,19,20,23)"	"FWSHXIWSIVMIHW-UHFFFAOYSA-N"	"?"
"4447"	"52-01-7"	"Spironolactone"	"DTXSID6034186"	"CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC43CCC(=O)O4)C21"	"InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3"	"LXMSZDCAJNLERA-UHFFFAOYSA-N"	"?"
"4448"	"62625-17-6"	"Benzenesulfonic acid, 2,4,5-trichloro-, potassium salt"	"DTXSID0069593"	"OS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Cl"	"InChI=1S/C6H3Cl3O3S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,(H,10,11,12)"	"LEDKKDPOPIKMSZ-UHFFFAOYSA-N"	"[K+]"
"4449"	"932742-30-8"	"Dodecanoic acid, 3-[[3-[[[2,2-dimethyl-3-[(1-oxododecyl)oxy]propylidene]amino]methyl]-3,5,5-trimethylcyclohexyl]imino]-2,2-dimethylpropyl ester"	"DTXSID90889245"	"CC1(C)CC(CC(C)(C1)CN=CC(C)(C)COC(=O)CCCCCCCCCCC)N=CC(C)(C)COC(=O)CCCCCCCCCCC"	"InChI=1S/C44H82N2O4/c1-10-12-14-16-18-20-22-24-26-28-39(47)49-36-42(5,6)33-45-35-44(9)31-38(30-41(3,4)32-44)46-34-43(7,8)37-50-40(48)29-27-25-23-21-19-17-15-13-11-2/h33-34,38H,10-32,35-37H2,1-9H3"	"PLCJQVXNAMXZGB-UHFFFAOYSA-N"	"?"
"4450"	"NOCAS_864689"	"CERAPP_36283"	"DTXSID00864689"	"CC(=O)C1C(C)(C)CC(=CC1(C)C)OC"	"InChI=1S/C13H22O2/c1-9(14)11-12(2,3)7-10(15-6)8-13(11,4)5/h7,11H,8H2,1-6H3"	"ZGMRSDALCWKJIM-UHFFFAOYSA-N"	"?"
"4451"	"75274-17-8"	"Acetic acid, ((6-(2-methoxyethoxy)-2-methyl-4-pyrimidinyl)amino)oxo-, ethyl ester"	"DTXSID20226240"	"CC1N=C(C=C(N=1)OCCOC)NC(=O)C(=O)OCC"	"InChI=1S/C12H17N3O5/c1-4-19-12(17)11(16)15-9-7-10(14-8(2)13-9)20-6-5-18-3/h7H,4-6H2,1-3H3,(H,13,14,15,16)"	"UFUSDQWMAOBKJG-UHFFFAOYSA-N"	"?"
"4452"	"67124-09-8"	"2-Propanol, 1-(tert-dodecylthio)-"	"DTXSID2028303"	"CC(O)CSCCCCCCCCC(C)(C)C"	"InChI=1S/C15H32OS/c1-14(16)13-17-12-10-8-6-5-7-9-11-15(2,3)4/h14,16H,5-13H2,1-4H3"	"XROXSXGRRMHJFJ-UHFFFAOYSA-N"	"?"
"4453"	"27025-41-8"	"Oxiglutatione"	"DTXSID5048972"	"NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O"	"InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)"	"YPZRWBKMTBYPTK-UHFFFAOYSA-N"	"?"
"4454"	"65277-37-4"	"7H,9H-[1]Benzopyrano[3',2':3,4]pyrido[2,1-b]quinazoline-6-carboxamide, 3-(diethylamino)-7-imino-"	"DTXSID0070289"	"CCN(CC)C1=CC2OC3=C(C(N)=O)C(=N)N4CC5=CC=CC=C5N=C4C3=CC=2C=C1"	"InChI=1S/C24H23N5O2/c1-3-28(4-2)16-10-9-14-11-17-21(31-19(14)12-16)20(23(26)30)22(25)29-13-15-7-5-6-8-18(15)27-24(17)29/h5-12,25H,3-4,13H2,1-2H3,(H2,26,30)"	"SCGCMFLZZPDEIQ-UHFFFAOYSA-N"	"?"
"4455"	"74226-22-5"	"Dazoxiben hydrochloride"	"DTXSID40225215"	"OC(=O)C1C=CC(=CC=1)OCCN1C=NC=C1"	"InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)"	"XQGZSYKGWHUSDH-UHFFFAOYSA-N"	"Cl"
"4456"	"68133-05-1"	"2-Naphthalenesulfonic acid, 5-[(2-hydroxy-1-naphthalenyl)azo]-, monosodium salt"	"DTXSID0071128"	"OC1C=CC2=CC=CC=C2C=1N=NC1=CC=CC2C=C(C=CC=21)S(O)(=O)=O"	"InChI=1S/C20H14N2O4S/c23-19-11-8-13-4-1-2-6-17(13)20(19)22-21-18-7-3-5-14-12-15(27(24,25)26)9-10-16(14)18/h1-12,23H,(H,24,25,26)"	"COUYJSSQPKTVIQ-UHFFFAOYSA-N"	"[Na+]"
"4457"	"60397-73-1"			"CN(CCS(O)(=O)=O)C1=NC(=NC(NC2=CC(=C(C=C2)C=CC2C=CC(=CC=2S(O)(=O)=O)NC2=NC(=NC(=N2)N(C)CCS(O)(=O)=O)OCCOC)S(O)(=O)=O)=N1)OCCOC"	"InChI=1S/C32H42N10O16S4/c1-41(11-17-59(43,44)45)29-35-27(37-31(39-29)57-15-13-55-3)33-23-9-7-21(25(19-23)61(49,50)51)5-6-22-8-10-24(20-26(22)62(52,53)54)34-28-36-30(42(2)12-18-60(46,47)48)40-32(38-28)58-16-14-56-4/h5-10,19-20H,11-18H2,1-4H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,33,35,37,39)(H,34,36,38,40)"	"CGYZCRWUXPGWAH-UHFFFAOYSA-N"	"?"
"4458"	"32764-98-0"	"6-(Pent-3-en-1-yl)tetrahydro-2H-pyran-2-one"	"DTXSID4052009"	"CC=CCCC1CCCC(=O)O1"	"InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h2-3,9H,4-8H2,1H3"	"NBCMACYORPIYNY-UHFFFAOYSA-N"	"?"
"4459"	"68214-00-6"	"4-Hydroxy-7-[(3-nitrobenzoyl)amino]-2-naphthalenesulfonic acid"	"DTXSID0071251"	"[O-][N+](=O)C1=CC(=CC=C1)C(=O)NC1C=C2C=C(C=C(O)C2=CC=1)S(O)(=O)=O"	"InChI=1S/C17H12N2O7S/c20-16-9-14(27(24,25)26)8-11-6-12(4-5-15(11)16)18-17(21)10-2-1-3-13(7-10)19(22)23/h1-9,20H,(H,18,21)(H,24,25,26)"	"KHRQOWDLOIPDEV-UHFFFAOYSA-N"	"?"
"4460"	"497-18-7"	"Carbonic dihydrazide"	"DTXSID5038757"	"NNC(=O)NN"	"InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)"	"XEVRDFDBXJMZFG-UHFFFAOYSA-N"	"?"
"4461"	"63941-39-9"	"Propanedioic acid, bis[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, bis[2,2,6,6-tetramethyl-1-(1-oxo-2-propenyl)-4-piperidinyl] ester"	"DTXSID0070025"	"CC(C)(C)C1=CC(CC(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(C(=O)OC2CC(C)(C)N(C(=O)C=C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C(=O)C=C)C(C)(C)C2)=CC(=C1O)C(C)(C)C"	"InChI=1S/C57H86N2O8/c1-23-43(60)58-53(15,16)31-37(32-54(58,17)18)66-47(64)57(29-35-25-39(49(3,4)5)45(62)40(26-35)50(6,7)8,30-36-27-41(51(9,10)11)46(63)42(28-36)52(12,13)14)48(65)67-38-33-55(19,20)59(44(61)24-2)56(21,22)34-38/h23-28,37-38,62-63H,1-2,29-34H2,3-22H3"	"ZVKKVSDZZGHJID-UHFFFAOYSA-N"	"?"
"4462"	"64098-32-4"	"Zapizolam"	"DTXSID10214292"	"ClC1C=CC2=C(N=1)C(=NCC1=NN=CN21)C1=CC=CC=C1Cl"	"InChI=1S/C15H9Cl2N5/c16-10-4-2-1-3-9(10)14-15-11(5-6-12(17)20-15)22-8-19-21-13(22)7-18-14/h1-6,8H,7H2"	"FOWABKOXWTZAKY-UHFFFAOYSA-N"	"?"
"4463"	"61788-44-1"	"Styrenated phenol"	"DTXSID8028052"	"C=CC1C=C(C=CC=1O)C=C"	"InChI=1S/C10H10O/c1-3-8-5-6-10(11)9(4-2)7-8/h3-7,11H,1-2H2"	"GZGSEMRMKBBQGA-UHFFFAOYSA-N"	"?"
"4464"	"NOCAS_864588"	"CERAPP_35747"	"DTXSID00864588"	"CC1(C)CCCC2(C)OC(=O)C=C12"	"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3"	"IMKHDCBNRDRUEB-UHFFFAOYSA-N"	"?"
"4465"	"151327-08-1"	"Pyrazolo(1,5-a)pyrimidine, 7-(4-morpholinyl)-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, monohydrochloride"	"DTXSID90164761"	"CCCC1=NC2=CC=NN2C(=C1CC1C=CC(=CC=1)C1C=CC=CC=1C1=NNN=N1)N1CCOCC1"	"InChI=1S/C27H28N8O/c1-2-5-24-23(27(34-14-16-36-17-15-34)35-25(29-24)12-13-28-35)18-19-8-10-20(11-9-19)21-6-3-4-7-22(21)26-30-32-33-31-26/h3-4,6-13H,2,5,14-18H2,1H3,(H,30,31,32,33)"	"QXLHSEAUPBTLKK-UHFFFAOYSA-N"	"Cl"
"4466"	"66408-78-4"	"1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl)-"	"DTXSID4070459"	"CC(C)=CCCC(C)=CC1OCCO1"	"InChI=1S/C12H20O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,9,12H,4,6-8H2,1-3H3"	"KSDZVTNRVWBTFN-UHFFFAOYSA-N"	"?"
"4467"	"NOCAS_867271"	"CERAPP_43261"	"DTXSID00867271"	"CCOC1C=CC(=CC=1)NC1C=CC(=CC=1[N+]([O-])=O)S(=O)(=O)N(C)C"	"InChI=1S/C16H19N3O5S/c1-4-24-13-7-5-12(6-8-13)17-15-10-9-14(11-16(15)19(20)21)25(22,23)18(2)3/h5-11,17H,4H2,1-3H3"	"SIFKXZAVMBSRMB-UHFFFAOYSA-N"	"?"
"4468"	"122-74-7"	"Benzenepropanol, 1-propanoate"	"DTXSID80861757"	"CCC(=O)OCCCC1C=CC=CC=1"	"InChI=1S/C12H16O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3"	"GTNCESCYZPMXCJ-UHFFFAOYSA-N"	"?"
"4469"	"70911-42-1"	"Benzenesulfonic acid, 4-[2-[3-(aminocarbonyl)-6-hydroxy-4-methyl-2-oxo-1(2H)-pyridinyl]ethyl]-"	"DTXSID0072196"	"CC1CC(=O)N(CCC2C=CC(=CC=2)S(O)(=O)=O)C(=O)C=1C(N)=O"	"InChI=1S/C15H16N2O6S/c1-9-8-12(18)17(15(20)13(9)14(16)19)7-6-10-2-4-11(5-3-10)24(21,22)23/h2-5H,6-8H2,1H3,(H2,16,19)(H,21,22,23)"	"DKIKZAGWCIJOEZ-UHFFFAOYSA-N"	"?"
"4470"	"69788-31-4"			"CCN(CCCCOC(=O)C1=CC(OC)=C(C=C1)OC)C1CC2C=CC(=CC=2CC1)OC"	"InChI=1S/C26H35NO5/c1-5-27(22-11-8-20-17-23(29-2)12-9-19(20)16-22)14-6-7-15-32-26(28)21-10-13-24(30-3)25(18-21)31-4/h9-10,12-13,17-18,22H,5-8,11,14-16H2,1-4H3"	"OZZNKVQJEMSOSF-UHFFFAOYSA-N"	"Cl"
"4471"	"NOCAS_867392"	"CERAPP_43515"	"DTXSID00867392"	"CC1(C)CCC=C(C)C1C=CC1(C)OC1C(=O)OC"	"InChI=1S/C16H24O3/c1-11-7-6-9-15(2,3)12(11)8-10-16(4)13(19-16)14(17)18-5/h7-8,10,12-13H,6,9H2,1-5H3"	"WOCOGWMEEYJGLH-UHFFFAOYSA-N"	"?"
"4472"	"69163-06-0"	"1-Naphthalenamine, 4,4'-[azobis(4,1-phenyleneazo)]bis[N,N-dimethyl-"	"DTXSID0071964"	"CN(C)C1C=CC(N=NC2C=CC(=CC=2)N=NC2C=CC(=CC=2)N=NC2C=CC(=C3C=CC=CC=23)N(C)C)=C2C=CC=CC2=1"	"InChI=1S/C36H32N8/c1-43(2)35-23-21-33(29-9-5-7-11-31(29)35)41-39-27-17-13-25(14-18-27)37-38-26-15-19-28(20-16-26)40-42-34-22-24-36(44(3)4)32-12-8-6-10-30(32)34/h5-24H,1-4H3"	"ZFPDHUVEYCDWHY-UHFFFAOYSA-N"	"?"
"4473"	"NOCAS_871090"	"CERAPP_57474"	"DTXSID00871090"	"CC1CN(CCC1)C(C)=O"	"InChI=1S/C8H15NO/c1-7-4-3-5-9(6-7)8(2)10/h7H,3-6H2,1-2H3"	"XKFPNHDGLSYZRC-UHFFFAOYSA-N"	"?"
"4474"	"70528-90-4"	"5-[(4-Chloro-2-nitrophenyl)azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile"	"DTXSID0072069"	"CC1C(N=NC2C=CC(Cl)=CC=2[N+]([O-])=O)C(=O)N(CC)C(=O)C=1C#N"	"InChI=1S/C15H12ClN5O4/c1-3-20-14(22)10(7-17)8(2)13(15(20)23)19-18-11-5-4-9(16)6-12(11)21(24)25/h4-6,13H,3H2,1-2H3"	"CLAIVSRSKCRFGC-UHFFFAOYSA-N"	"?"
"4475"	"1405-92-1"	"Cedr-8-en-15-yl acetate"	"DTXSID3051709"	"CC1(C)C2CC3(CC=C2COC(C)=O)C1CCC3C"	"InChI=1S/C17H26O2/c1-11-5-6-15-16(3,4)14-9-17(11,15)8-7-13(14)10-19-12(2)18/h7,11,14-15H,5-6,8-10H2,1-4H3"	"AICQDCHSUWFHCC-UHFFFAOYSA-N"	"?"
"4476"	"72987-31-6"	"Docosanoic acid, [[4,6-bis[(methoxymethyl)[[(1-oxoeicosyl)oxy]methyl]amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methyl ester"	"DTXSID0072695"	"COCN(COC(=O)CCCCCCCCCCCCCCCCCCCCC)C1N=C(N=C(N=1)N(COC)COC(=O)CCCCCCCCCCCCCCCCCCC)N(COC)COC(=O)CCCCCCCCCCCCCCCCCCC"	"InChI=1S/C74H142N6O9/c1-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-71(83)89-68-80(65-86-6)74-76-72(78(63-84-4)66-87-69(81)60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-2)75-73(77-74)79(64-85-5)67-88-70(82)61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-3/h7-68H2,1-6H3"	"OMBWQRIPSAQXFG-UHFFFAOYSA-N"	"?"
"4477"	"29066-35-1"	"Menthyl formate, (+-)-"	"DTXSID10183318"	"CC(C)C1CCC(C)CC1OC=O"	"InChI=1S/C11H20O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h7-11H,4-6H2,1-3H3"	"XEYZAKCJAFSLGZ-UHFFFAOYSA-N"	"?"
"4478"	"68516-62-1"	"Benzo[b]thiophene-6-sulfonic acid, 2,3-dihydro-3-oxo-2-[(4-sulfophenyl)methylene]-, dipotassium salt"	"DTXSID0071590"	"OS(=O)(=O)C1C=CC(C=C2SC3=CC(=CC=C3C2=O)S(O)(=O)=O)=CC=1"	"InChI=1S/C15H10O7S3/c16-15-12-6-5-11(25(20,21)22)8-13(12)23-14(15)7-9-1-3-10(4-2-9)24(17,18)19/h1-8H,(H,17,18,19)(H,20,21,22)"	"HFNVTAIITUKJQM-UHFFFAOYSA-N"	"[K+].[K+]"
"4479"	"39807-15-3"	"Oxadiargyl"	"DTXSID8058085"	"CC(C)(C)C1=NN(C(=O)O1)C1C=C(OCC#C)C(Cl)=CC=1Cl"	"InChI=1S/C15H14Cl2N2O3/c1-5-6-21-12-8-11(9(16)7-10(12)17)19-14(20)22-13(18-19)15(2,3)4/h1,7-8H,6H2,2-4H3"	"DVOODWOZJVJKQR-UHFFFAOYSA-N"	"?"
"4480"	"922165-31-9"	"Bis-ethoxydiglycol cyclohexane 1,4-dicarboxylate"	"DTXSID20238929"	"CCOCCOCCOC(=O)C1CCC(CC1)C(=O)OCCOCCOCC"	"InChI=1S/C20H36O8/c1-3-23-9-11-25-13-15-27-19(21)17-5-7-18(8-6-17)20(22)28-16-14-26-12-10-24-4-2/h17-18H,3-16H2,1-2H3"	"JNFDQAYPZCYWLD-UHFFFAOYSA-N"	"?"
"4481"	"33817-20-8"	"Pivampicillin"	"DTXSID1045459"	"CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)C1C=CC=CC=1)C2=O"	"InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)"	"ZEMIJUDPLILVNQ-UHFFFAOYSA-N"	"?"
"4482"	"NOCAS_866360"	"CERAPP_41147"	"DTXSID00866360"	"CCC(O)COC"	"InChI=1S/C5H12O2/c1-3-5(6)4-7-2/h5-6H,3-4H2,1-2H3"	"CSZZMFWKAQEMPB-UHFFFAOYSA-N"	"?"
"4483"	"NOCAS_865676"	"CERAPP_39255"	"DTXSID00865676"	"CSCS(C)=O"	"InChI=1S/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3"	"OTKFCIVOVKCFHR-UHFFFAOYSA-N"	"?"
"4484"	"69140-60-9"	"Phosphonic acid, (1-hydroxyethylidene)bis-, cobalt(2+) sodium salt (1:1:2)"	"DTXSID0071962"	"CC(O)(P(O)(O)=O)P(O)(O)=O"	"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)"	"DBVJJBKOTRCVKF-UHFFFAOYSA-N"	"[Co+2].[Na+].[Na+]"
"4485"	"40374-18-3"			"CC(=O)N(C)C(=O)OC1C=CC=C2OC3(CCCCC3)OC=12"	"InChI=1S/C16H19NO5/c1-11(18)17(2)15(19)20-12-7-6-8-13-14(12)22-16(21-13)9-4-3-5-10-16/h6-8H,3-5,9-10H2,1-2H3"	"WGCDPRJZQCZMQA-UHFFFAOYSA-N"	"?"
"4486"	"294-62-2"	"Cyclododecane"	"DTXSID9021552"	"C1CCCCCCCCCCC1"	"InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2"	"DDTBPAQBQHZRDW-UHFFFAOYSA-N"	"?"
"4487"	"NOCAS_869896"	"CERAPP_49211"	"DTXSID00869896"	"CCC(O)COC1CCCCC1C(C)(C)C"	"InChI=1S/C14H28O2/c1-5-11(15)10-16-13-9-7-6-8-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3"	"GQBVHGLNSHPKPG-UHFFFAOYSA-N"	"?"
"4488"	"56903-66-3"	"2-Benzofurancarboxamide, N-(3-(1,3-benzodioxol-5-yl)-1-(2-(1,3-benzodioxol-5-yl)ethyl)propyl)-"	"DTXSID70205444"	"O=C(NC(CCC1=CC2OCOC=2C=C1)CCC1=CC2OCOC=2C=C1)C1=CC2C=CC=CC=2O1"	"InChI=1S/C28H25NO6/c30-28(27-15-20-3-1-2-4-22(20)35-27)29-21(9-5-18-7-11-23-25(13-18)33-16-31-23)10-6-19-8-12-24-26(14-19)34-17-32-24/h1-4,7-8,11-15,21H,5-6,9-10,16-17H2,(H,29,30)"	"KGQCVLSQDJPTKZ-UHFFFAOYSA-N"	"?"
"4489"	"2624-17-1"	"Sodium cyanurate"	"DTXSID9043720"	"O=C1NC(=O)NC(=O)N1"	"InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)"	"ZFSLODLOARCGLH-UHFFFAOYSA-N"	"[Na+]"
"4490"	"24237-00-1"	"6-Butyl-3,6-dihydro-2,4-dimethyl-2H-pyran"	"DTXSID7051898"	"CC1CC(C)=CC(CCCC)O1"	"InChI=1S/C11H20O/c1-4-5-6-11-8-9(2)7-10(3)12-11/h8,10-11H,4-7H2,1-3H3"	"OSMLMQQJZVENMX-UHFFFAOYSA-N"	"?"
"4491"	"110-33-8"	"Dihexyl hexanedioate"	"DTXSID9026841"	"CCCCCCOC(=O)CCCCC(=O)OCCCCCC"	"InChI=1S/C18H34O4/c1-3-5-7-11-15-21-17(19)13-9-10-14-18(20)22-16-12-8-6-4-2/h3-16H2,1-2H3"	"HHECSPXBQJHZAF-UHFFFAOYSA-N"	"?"
"4492"	"68128-25-6"	"Silane, [2-[3(or 4)-(chloromethyl)phenyl]ethyl]trimethoxy-"	"DTXSID0071126"	"CO[Si](CCC1C=CC(CCl)=CC=1)(OC)OC"	"InChI=1S/C12H19ClO3Si/c1-14-17(15-2,16-3)9-8-11-4-6-12(10-13)7-5-11/h4-7H,8-10H2,1-3H3"	"IOLWRXMELRWXQY-UHFFFAOYSA-N"	"?"
"4493"	"NOCAS_863430"	"CERAPP_31475"	"DTXSID00863430"	"CCC(C)COC(=O)C=CC1C=CC=CC=1"	"InChI=1S/C14H18O2/c1-3-12(2)11-16-14(15)10-9-13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3"	"SEGJDCGIQJESDC-UHFFFAOYSA-N"	"?"
"4494"	"75199-14-3"	"2-Naphthalenecarboxamide, N-(2,4-dimethylphenyl)-3-hydroxy-4-[(2-methoxy-5-methylphenyl)azo]-"	"DTXSID0072807"	"CC1=CC(C)=CC=C1NC(=O)C1C=C2C=CC=CC2=C(N=NC2=CC(C)=CC=C2OC)C=1O"	"InChI=1S/C27H25N3O3/c1-16-9-11-22(18(3)13-16)28-27(32)21-15-19-7-5-6-8-20(19)25(26(21)31)30-29-23-14-17(2)10-12-24(23)33-4/h5-15,31H,1-4H3,(H,28,32)"	"JKANJLOJMKIOQK-UHFFFAOYSA-N"	"?"
"4495"	"67599-21-7"	"[1,1'-Biphenyl]-4-carboxamide, 4'-heptyl-"	"DTXSID0070526"	"CCCCCCCC1C=CC(=CC=1)C1C=CC(=CC=1)C(N)=O"	"InChI=1S/C20H25NO/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H2,21,22)"	"OTQJIVXAIVXUBV-UHFFFAOYSA-N"	"?"
"4496"	"2475-45-8"	"C.I. Disperse Blue 1"	"DTXSID7020188"	"NC1=CC=C(N)C2=C1C(=O)C1=C(C2=O)C(N)=CC=C1N"	"InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2"	"JSFUMBWFPQSADC-UHFFFAOYSA-N"	"?"
"4497"	"NOCAS_865631"	"CERAPP_39124"	"DTXSID00865631"	"O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl"	"InChI=1S/C3Cl6O3/c4-2(5,6)11-1(10)12-3(7,8)9"	"UCPYLLCMEDAXFR-UHFFFAOYSA-N"	"?"
"4498"	"76648-01-6"	"Cefbuperazone sodium"	"DTXSID50227467"	"CN1N=NN=C1SCC1CSC2N(C=1C(O)=O)C(=O)C2(NC(=O)C(NC(=O)N1CCN(CC)C(=O)C1=O)C(C)O)OC"	"InChI=1S/C22H29N9O9S2/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37)"	"SMSRCGPDNDCXFR-UHFFFAOYSA-N"	"[Na+]"
"4499"	"2362-14-3"	"Phenol, 4,4'-cyclohexylidenebis[2-methyl-"	"DTXSID2074954"	"CC1C=C(C=CC=1O)C1(CCCCC1)C1=CC(C)=C(O)C=C1"	"InChI=1S/C20H24O2/c1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17/h6-9,12-13,21-22H,3-5,10-11H2,1-2H3"	"SVOBELCYOCEECO-UHFFFAOYSA-N"	"?"
"4500"	"NOCAS_863935"	"CERAPP_32688"	"DTXSID00863935"	"C=CC(=O)NC(O)C(O)=O"	"InChI=1S/C5H7NO4/c1-2-3(7)6-4(8)5(9)10/h2,4,8H,1H2,(H,6,7)(H,9,10)"	"NEYTXADIGVEHQD-UHFFFAOYSA-N"	"?"
"4501"	"65859-46-3"	"Diethylene glycol monolaurate potassium salt"	"DTXSID0070362"	"CCCCCCCCCCCC(=O)OCCOCCO"	"InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-16(18)20-15-14-19-13-12-17/h17H,2-15H2,1H3"	"WGIMXKDCVCTHGW-UHFFFAOYSA-N"	"[K+]"
"4502"	"55719-85-2"	"Phenethyl tiglate"	"DTXSID8047684"	"CC(=CC)C(=O)OCCC1C=CC=CC=1"	"InChI=1S/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3"	"KVMWYGAYARXPOL-UHFFFAOYSA-N"	"?"
"4503"	"1241-94-7"	"2-Ethylhexyl diphenyl phosphate"	"DTXSID1025300"	"CCC(COP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1)CCCC"	"InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3"	"CGSLYBDCEGBZCG-UHFFFAOYSA-N"	"?"
"4504"	"102-04-5"	"2-Propanone, 1,3-diphenyl-"	"DTXSID5059244"	"O=C(CC1C=CC=CC=1)CC1C=CC=CC=1"	"InChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2"	"YFKBXYGUSOXJGS-UHFFFAOYSA-N"	"?"
"4505"	"69178-43-4"	"Isooctane, 1,1-diethoxy-"	"DTXSID0071966"	"CC(C)CCCCC(OCC)OCC"	"InChI=1S/C12H26O2/c1-5-13-12(14-6-2)10-8-7-9-11(3)4/h11-12H,5-10H2,1-4H3"	"UGEOLDGWHXDZBP-UHFFFAOYSA-N"	"?"
"4506"	"74531-88-7"	"Tioxamast"	"DTXSID20225536"	"COC1C=CC(=CC=1)C1=CSC(NC(=O)C(=O)OCC)=N1"	"InChI=1S/C14H14N2O4S/c1-3-20-13(18)12(17)16-14-15-11(8-21-14)9-4-6-10(19-2)7-5-9/h4-8H,3H2,1-2H3,(H,15,16,17)"	"ROVWYOFNUFLLNL-UHFFFAOYSA-N"	"?"
"4507"	"65883-03-6"	"1H-Isoindol-1-one, 3,3'-[(2-chloro-1,4-phenylene)dinitrilo]bis[4,5,6,7-tetrachloro-2,3-dihydro-"	"DTXSID0070366"	"O=C1N/C(=N/C2=CC(Cl)=C(C=C2)/N=C2\NC(=O)C3C\2=C(Cl)C(Cl)=C(Cl)C=3Cl)/C2C1=C(Cl)C(Cl)=C(Cl)C=2Cl"	"InChI=1S/C22H5Cl9N4O2/c23-5-3-4(32-19-7-9(21(36)34-19)13(26)17(30)15(28)11(7)24)1-2-6(5)33-20-8-10(22(37)35-20)14(27)18(31)16(29)12(8)25/h1-3H,(H,32,34,36)(H,33,35,37)"	"KAVTZNAONUOIDY-UHFFFAOYSA-N"	"?"
"4508"	"NOCAS_867014"	"CERAPP_42649"	"DTXSID00867014"	"CN(C)CCCN(CC(C)O)CC(C)O"	"InChI=1S/C11H26N2O2/c1-10(14)8-13(9-11(2)15)7-5-6-12(3)4/h10-11,14-15H,5-9H2,1-4H3"	"FFCUXTGIVGMUKC-UHFFFAOYSA-N"	"?"
"4509"	"65416-24-2"	"2-Butenoic acid, phenylmethyl ester"	"DTXSID0070318"	"CC=CC(=O)OCC1C=CC=CC=1"	"InChI=1S/C11H12O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h2-8H,9H2,1H3"	"NCPTYZLUYHXITE-UHFFFAOYSA-N"	"?"
"4510"	"NOCAS_866744"	"CERAPP_42020"	"DTXSID00866744"	"CCCCCC(CO)C(C)=O"	"InChI=1S/C9H18O2/c1-3-4-5-6-9(7-10)8(2)11/h9-10H,3-7H2,1-2H3"	"XLFYWCDNLLZTIW-UHFFFAOYSA-N"	"?"
"4511"	"93894-13-4"	"Octadecanoic acid, 2-(2-butoxyethoxy)ethyl ester"	"DTXSID0074637"	"CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC"	"InChI=1S/C26H52O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(27)30-25-24-29-23-22-28-21-6-4-2/h3-25H2,1-2H3"	"JFLVPDTYNNSVGH-UHFFFAOYSA-N"	"?"
"4512"	"NOCAS_863218"	"CERAPP_30923"	"DTXSID00863218"	"CC1=CC2C(CC1C(C)=O)C2(C)C"	"InChI=1S/C12H18O/c1-7-5-10-11(12(10,3)4)6-9(7)8(2)13/h5,9-11H,6H2,1-4H3"	"DXLORVVCLBWYCC-UHFFFAOYSA-N"	"?"
"4513"	"68540-42-1"	"2-Naphthalenecarboxamide, 4-[(2,3-dichlorophenyl)azo]-3-hydroxy-N-[5-[[[3-hydroxy-4-[(2-methoxy-4-nitrophenyl)azo]-2-naphthalenyl]carbonyl]amino]-1-naphthalenyl]-"	"DTXSID0071625"	"COC1=CC(=CC=C1N=NC1=C2C=CC=CC2=CC(C(=O)NC2C=CC=C3C(=CC=CC=23)NC(=O)C2C=C3C=CC=CC3=C(N=NC3C=CC=C(Cl)C=3Cl)C=2O)=C1O)[N+]([O-])=O"	"InChI=1S/C45H29Cl2N7O7/c1-61-38-23-26(54(59)60)19-20-36(38)50-52-40-27-11-4-2-9-24(27)21-31(42(40)55)44(57)48-34-16-6-14-30-29(34)13-7-17-35(30)49-45(58)32-22-25-10-3-5-12-28(25)41(43(32)56)53-51-37-18-8-15-33(46)39(37)47/h2-23,55-56H,1H3,(H,48,57)(H,49,58)"	"FJOVXJODQXFEAB-UHFFFAOYSA-N"	"?"
"4514"	"127946-77-4"	"1-Aminocyclopropane-1-carbonitrile--hydrogen chloride (1/1)"	"DTXSID20561926"	"NC1(CC1)C#N"	"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2"	"UIVATUPCWVUVIM-UHFFFAOYSA-N"	"Cl"
"4515"	"21369-64-2"	"Lithium, hexyl-"	"DTXSID0074899"	"CCCCCC"	"InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3"	"VLKZOEOYAKHREP-UHFFFAOYSA-N"	"[Li+]"
"4516"	"14044-65-6"			"C1CCCO1"	"InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2"	"WYURNTSHIVDZCO-UHFFFAOYSA-N"	"B"
"4517"	"62158-73-0"	"Ethanol, 2-[(5-amino-2,4-dimethoxyphenyl)sulfonyl]-, hydrogen sulfate (ester)"	"DTXSID0069547"	"COC1=CC(OC)=C(C=C1N)S(=O)(=O)CCOS(O)(=O)=O"	"InChI=1S/C10H15NO8S2/c1-17-8-6-9(18-2)10(5-7(8)11)20(12,13)4-3-19-21(14,15)16/h5-6H,3-4,11H2,1-2H3,(H,14,15,16)"	"UGZSTADDMXCMFC-UHFFFAOYSA-N"	"?"
"4518"	"72139-02-7"	"Benzenesulfonic acid, 2,2'-[[4-hydroxy-6-[[3-hydroxy-4-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]-1,3-phenylene]bis(azo-4,1-phenyleneimino)]bis[5-nitro-"	"DTXSID0072516"	"[O-][N+](=O)C1=CC(=C(C=C1)NC1C=CC(=CC=1)N=NC1=CC(N=NC2C=CC(=CC=2)NC2C=CC(=CC=2S(O)(=O)=O)[N+]([O-])=O)=C(C=C1O)NC1=CC(O)=C(C=C1)N=NC1C=CC(=CC=1)NC1=CC=C(C=C1S(O)(=O)=O)[N+]([O-])=O)S(O)(=O)=O"	"InChI=1S/C48H35N13O17S3/c62-44-21-33(13-17-37(44)56-53-30-7-1-27(2-8-30)49-38-18-14-34(59(64)65)22-46(38)79(70,71)72)52-41-26-45(63)43(58-55-32-11-5-29(6-12-32)51-40-20-16-36(61(68)69)24-48(40)81(76,77)78)25-42(41)57-54-31-9-3-28(4-10-31)50-39-19-15-35(60(66)67)23-47(39)80(73,74)75/h1-26,49-52,62-63H,(H,70,71,72)(H,73,74,75)(H,76,77,78)"	"PRNVAEQAPFSUFF-UHFFFAOYSA-N"	"?"
"4519"	"427-51-0"	"Cyproterone acetate"	"DTXSID5020366"	"CC12CCC3C(C=C(Cl)C4=CC(=O)C5CC5C43C)C1CCC2(OC(C)=O)C(C)=O"	"InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3"	"UWFYSQMTEOIJJG-UHFFFAOYSA-N"	"?"
"4520"	"65036-46-6"	"7-Benzothiazolesulfonic acid, 2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]phenyl]-6-methyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)"	"DTXSID0070150"	"CC1=CC=C2N=C(SC2=C1S(O)(=O)=O)C1C=CC(=CC=1)N=NC1C(=O)NC(=O)NC1=O"	"InChI=1S/C18H13N5O6S2/c1-8-2-7-11-13(14(8)31(27,28)29)30-17(19-11)9-3-5-10(6-4-9)22-23-12-15(24)20-18(26)21-16(12)25/h2-7,12H,1H3,(H,27,28,29)(H2,20,21,24,25,26)"	"APIDSQKETXQPQW-UHFFFAOYSA-N"	"N(CCO)(CCO)CCO"
"4521"	"68298-34-0"	"2-Buten-1-one, 1-(2,3-dihydro-1,1,3,3,6-pentamethyl-1H-inden-5-yl)-"	"DTXSID0071384"	"CC1C=C2C(=CC=1C(=O)C=CC)C(C)(C)CC2(C)C"	"InChI=1S/C18H24O/c1-7-8-16(19)13-10-15-14(9-12(13)2)17(3,4)11-18(15,5)6/h7-10H,11H2,1-6H3"	"VHGRISIIWCHDBX-UHFFFAOYSA-N"	"?"
"4522"	"221667-31-8"	"Cyprosulfamide"	"DTXSID9058022"	"COC1=CC=CC=C1C(=O)NS(=O)(=O)C1C=CC(=CC=1)C(=O)NC1CC1"	"InChI=1S/C18H18N2O5S/c1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22)"	"OAWUUPVZMNKZRY-UHFFFAOYSA-N"	"?"
"4523"	"137521-55-2"			"CC(=O)C(N=NC1=CC(Cl)=C(Cl)C=C1)C(=O)NC"	"InChI=1S/C11H11Cl2N3O2/c1-6(17)10(11(18)14-2)16-15-7-3-4-8(12)9(13)5-7/h3-5,10H,1-2H3,(H,14,18)"	"FMSRIDFSVXBYHH-UHFFFAOYSA-N"	"?"
"4524"	"37514-30-0"	"Cyclododecane, 1-methoxy-1-methyl-"	"DTXSID4068034"	"COC1(C)CCCCCCCCCCC1"	"InChI=1S/C14H28O/c1-14(15-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3"	"QACBYNLZEUNZSC-UHFFFAOYSA-N"	"?"
"4525"	"122892-31-3"	"Itopride hydrochloride"	"DTXSID5046693"	"COC1=CC=C(C=C1OC)C(=O)NCC1C=CC(=CC=1)OCCN(C)C"	"InChI=1S/C20H26N2O4/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)"	"QQQIECGTIMUVDS-UHFFFAOYSA-N"	"Cl"
"4526"	"3179-76-8"	"3-[Diethoxy(methyl)silyl]propan-1-amine"	"DTXSID2038817"	"C[Si](CCCN)(OCC)OCC"	"InChI=1S/C8H21NO2Si/c1-4-10-12(3,11-5-2)8-6-7-9/h4-9H2,1-3H3"	"HXLAEGYMDGUSBD-UHFFFAOYSA-N"	"?"
"4527"	"61355-92-8"	".beta.-Alanine, N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester"	"DTXSID0069466"	"CC(=O)NC1C=C(C=CC=1N=NC1C=CC(=CC=1)[N+]([O-])=O)N(CCC(=O)OC)CCC(=O)OC"	"InChI=1S/C22H25N5O7/c1-15(28)23-20-14-18(26(12-10-21(29)33-2)13-11-22(30)34-3)8-9-19(20)25-24-16-4-6-17(7-5-16)27(31)32/h4-9,14H,10-13H2,1-3H3,(H,23,28)"	"BYMNHMLASYXHRV-UHFFFAOYSA-N"	"?"
"4528"	"72138-96-6"	"Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione, 11-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-"	"DTXSID0072512"	"O=C1C2=CC=CC=C2C(=O)C2C(=CC=CC1=2)NC1C=CC=C2C=1C(=O)C1=CC=C3C(NC4=CC=C5C6=C4C3=CC=C6C(=O)C3=CC=CC=C53)=C1C2=O"	"InChI=1S/C45H22N2O5/c48-41-25-8-2-1-7-21(25)22-19-20-34-36-23(15-17-30(41)35(22)36)24-16-18-31-39(40(24)47-34)45(52)29-12-6-14-33(38(29)44(31)51)46-32-13-5-11-28-37(32)43(50)27-10-4-3-9-26(27)42(28)49/h1-20,46-47H"	"WNMWNEGWYZNORK-UHFFFAOYSA-N"	"?"
"4529"	"115816-67-6"			"CN1CCN(C)C2SC(SC12)=C(C(=O)OCCC)C(=O)OCCC"	"InChI=1S/C16H26N2O4S2/c1-5-9-21-14(19)11(15(20)22-10-6-2)16-23-12-13(24-16)18(4)8-7-17(12)3/h12-13H,5-10H2,1-4H3"	"UOIDEMOWEJIQJA-UHFFFAOYSA-N"	"?"
"4530"	"63134-17-8"	"Benzenesulfonyl fluoride, 3-amino-, sulfate (1:1)"	"DTXSID0069703"	"NC1=CC(=CC=C1)S(=O)(=O)F"	"InChI=1S/C6H6FNO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H,8H2"	"PLSYVJDMJWGODG-UHFFFAOYSA-N"	"S(O)(=O)(O)=O"
"4531"	"70198-17-3"	"Ethanol, 2-[[4-[(6-chloro-2-benzothiazolyl)azo]phenyl]ethylamino]-, acetate (ester)"	"DTXSID8072039"	"CC(=O)OCCN(CC)C1C=CC(=CC=1)N=NC1=NC2C=CC(Cl)=CC=2S1"	"InChI=1S/C19H19ClN4O2S/c1-3-24(10-11-26-13(2)25)16-7-5-15(6-8-16)22-23-19-21-17-9-4-14(20)12-18(17)27-19/h4-9,12H,3,10-11H2,1-2H3"	"ULNIIFVEDJYBOZ-UHFFFAOYSA-N"	"?"
"4532"	"108-87-2"	"Methylcyclohexane"	"DTXSID0047749"	"CC1CCCCC1"	"InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3"	"UAEPNZWRGJTJPN-UHFFFAOYSA-N"	"?"
"4533"	"NOCAS_862448"	"CERAPP_28759"	"DTXSID00862448"	"C=CC(=O)NC(O)C(O)NC(=O)C=C"	"InChI=1S/C8H12N2O4/c1-3-5(11)9-7(13)8(14)10-6(12)4-2/h3-4,7-8,13-14H,1-2H2,(H,9,11)(H,10,12)"	"ZMLXKXHICXTSDM-UHFFFAOYSA-N"	"?"
"4534"	"86864-87-1"	"Phosphoric acid, 2,4-dimethylphenyl diphenyl ester"	"DTXSID0072934"	"CC1C=C(C)C(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1"	"InChI=1S/C20H19O4P/c1-16-13-14-20(17(2)15-16)24-25(21,22-18-9-5-3-6-10-18)23-19-11-7-4-8-12-19/h3-15H,1-2H3"	"AYGJSQLTGPQJPU-UHFFFAOYSA-N"	"?"
"4535"	"70209-97-1"	"Benzenesulfonic acid, 2-[2-[2-amino-8-hydroxy-6-[(methylphenylamino)sulfonyl]-1-naphthalenyl]diazenyl]-5-[(2-chloroacetyl)amino]-, sodium salt (1:1)"	"DTXSID60887536"	"CN(C1C=CC=CC=1)S(=O)(=O)C1=CC2C=CC(N)=C(N=NC3C=CC(=CC=3S(O)(=O)=O)NC(=O)CCl)C=2C(O)=C1"	"InChI=1S/C25H22ClN5O7S2/c1-31(17-5-3-2-4-6-17)39(34,35)18-11-15-7-9-19(27)25(24(15)21(32)13-18)30-29-20-10-8-16(28-23(33)14-26)12-22(20)40(36,37)38/h2-13,32H,14,27H2,1H3,(H,28,33)(H,36,37,38)"	"HEIDDNVTBLHAHO-UHFFFAOYSA-N"	"[Na+]"
"4536"	"135193-39-4"	"1,3-Benzenediamine, N3,4-bis(1,1-dimethylethyl)-2-methyl-"	"DTXSID0073110"	"CC1C(N)=CC=C(C=1NC(C)(C)C)C(C)(C)C"	"InChI=1S/C15H26N2/c1-10-12(16)9-8-11(14(2,3)4)13(10)17-15(5,6)7/h8-9,17H,16H2,1-7H3"	"BTTJULQCEAEJBU-UHFFFAOYSA-N"	"?"
"4537"	"123172-64-5"			"CN1C2C=CC(=CC=2OC(C)(C)C1=O)C(=O)C=CC1C=CC(O)=CC=1"	"InChI=1S/C20H19NO4/c1-20(2)19(24)21(3)16-10-7-14(12-18(16)25-20)17(23)11-6-13-4-8-15(22)9-5-13/h4-12,22H,1-3H3"	"LQCQXGKWFYMWIN-UHFFFAOYSA-N"	"?"
"4538"	"139147-73-2"	"DICYCLOPENTYLDICHLOROSILANE"	"DTXSID20446128"	"Cl[Si](Cl)(C1CCCC1)C1CCCC1"	"InChI=1S/C10H18Cl2Si/c11-13(12,9-5-1-2-6-9)10-7-3-4-8-10/h9-10H,1-8H2"	"DRMVGLWQJKLGKR-UHFFFAOYSA-N"	"?"
"4539"	"34973-08-5"	"Luprolite acetate"	"DTXSID10188520"	"CC(C)CC(NC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2C=CC=CC1=2)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O"	"InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)"	"XLXSAKCOAKORKW-UHFFFAOYSA-N"	"OC(=O)C"
"4540"	"65237-05-0"	"2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[(1-sulfo-2-naphthalenyl)azo]-"	"DTXSID0070287"	"NC1=CC(=CC2=CC(=C(N=NC3=CC=C4C=CC=CC4=C3S(O)(=O)=O)C(O)=C21)S(O)(=O)=O)S(O)(=O)=O"	"InChI=1S/C20H15N3O10S3/c21-14-9-12(34(25,26)27)7-11-8-16(35(28,29)30)18(19(24)17(11)14)23-22-15-6-5-10-3-1-2-4-13(10)20(15)36(31,32)33/h1-9,24H,21H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)"	"AWWNMIDVRILOPQ-UHFFFAOYSA-N"	"?"
"4541"	"70729-65-6"	".beta.-Alanine, N-[3-(acetylamino)-4-[(2,4-dinitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester"	"DTXSID0072144"	"CC(=O)NC1C=C(C=CC=1N=NC1C=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)N(CCC(=O)OC)CCC(=O)OC"	"InChI=1S/C22H24N6O9/c1-14(29)23-19-12-15(26(10-8-21(30)36-2)11-9-22(31)37-3)4-6-17(19)24-25-18-7-5-16(27(32)33)13-20(18)28(34)35/h4-7,12-13H,8-11H2,1-3H3,(H,23,29)"	"FIIPIQBWGBRMTN-UHFFFAOYSA-N"	"?"
"4542"	"49667-22-3"	"4-Methylsalicylamide"	"DTXSID70441320"	"CC1=CC=C(C(N)=O)C(O)=C1"	"InChI=1S/C8H9NO2/c1-5-2-3-6(8(9)11)7(10)4-5/h2-4,10H,1H3,(H2,9,11)"	"OLEJYVBTZPUQDX-UHFFFAOYSA-N"	"?"
"4543"	"66505-64-4"	"Furo(2,3-d)pyrimidin-4-amine, 5-methyl-2-(2-propenylthio)-"	"DTXSID40216709"	"CC1=COC2=NC(=NC(N)=C21)SCC=C"	"InChI=1S/C10H11N3OS/c1-3-4-15-10-12-8(11)7-6(2)5-14-9(7)13-10/h3,5H,1,4H2,2H3,(H2,11,12,13)"	"CNZPBJWFPMOQRM-UHFFFAOYSA-N"	"?"
"4544"	"63597-33-1"	"Cobaltate(3-), [N,N-bis[(phosphono-.kappa.O)methyl]glycinato(5-)-.kappa.N,.kappa.O]-, tripotassium, (T-4)-"	"DTXSID0069965"	"OC(=O)CN(CP(O)(O)=O)CP(O)(O)=O"	"InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)"	"OXHDYFKENBXUEM-UHFFFAOYSA-N"	"[Co+2].[K+].[K+]"
"4545"	"68391-28-6"	"7-Thiabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-"	"DTXSID0071463"	"CC12CCC(CC1)(S2)C(C)C"	"InChI=1S/C10H18S/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3"	"PUQONFDEJWVBAS-UHFFFAOYSA-N"	"?"
"4546"	"871-70-5"	"Octadecanedioic acid"	"DTXSID1074331"	"OC(=O)CCCCCCCCCCCCCCCCC(O)=O"	"InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)"	"BNJOQKFENDDGSC-UHFFFAOYSA-N"	"?"
"4547"	"NOCAS_865893"	"CERAPP_39837"	"DTXSID00865893"	"CC1OCC(C)C(C)(O1)C1C=CC=CC=1"	"InChI=1S/C13H18O2/c1-10-9-14-11(2)15-13(10,3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3"	"HIPJVLQQRRZAQN-UHFFFAOYSA-N"	"?"
"4548"	"2825-82-3"	"Octahydro-exo-4,7-methano-1H-indene"	"DTXSID2029244"	"C1C2CCC1C1CCCC21"	"InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2"	"LPSXSORODABQKT-UHFFFAOYSA-N"	"?"
"4549"	"NOCAS_862468"	"CERAPP_28818"	"DTXSID00862468"	"CN([Si](C)(C)C)[Si](C)(C)C"	"InChI=1S/C7H21NSi2/c1-8(9(2,3)4)10(5,6)7/h1-7H3"	"ZSMNRKGGHXLZEC-UHFFFAOYSA-N"	"?"
"4550"	"168152-82-7"	"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 2-methyl-7-propyl-6-((4-(3-(1H-tetrazol-5-yl)-2-thienyl)phenyl)methyl)-"	"DTXSID40168517"	"CC1NN2C(N=1)=NC(=O)C(CC1C=CC(=CC=1)C1SC=CC=1C1=NNN=N1)=C2CCC"	"InChI=1S/C21H20N8OS/c1-3-4-17-16(20(30)23-21-22-12(2)26-29(17)21)11-13-5-7-14(8-6-13)18-15(9-10-31-18)19-24-27-28-25-19/h5-10H,3-4,11H2,1-2H3,(H,22,23,26,30)(H,24,25,27,28)"	"DRMGKOMHHBBKDH-UHFFFAOYSA-N"	"?"
"4551"	"2424-90-0"	"Heptadecanedioic acid"	"DTXSID0074340"	"OC(=O)CCCCCCCCCCCCCCCC(O)=O"	"InChI=1S/C17H32O4/c18-16(19)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(20)21/h1-15H2,(H,18,19)(H,20,21)"	"QCNWZROVPSVEJA-UHFFFAOYSA-N"	"?"
"4552"	"130-26-7"	"Clioquinol"	"DTXSID7022837"	"OC1=C(I)C=C(Cl)C2C=CC=NC=21"	"InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H"	"QCDFBFJGMNKBDO-UHFFFAOYSA-N"	"?"
"4553"	"68921-72-2"	"Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol] (1:1)"	"DTXSID0071837"	"CCCCCCCCOP(O)(O)=O"	"InChI=1S/C8H19O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)"	"WRKCIHRWQZQBOL-UHFFFAOYSA-N"	"N(CCO)CCO"
"4554"	"80472-73-7"	"Pentanamide, N-cyclohexyl-N-ethyl-5-((1-methyl-1H-tetrazol-5-yl)thio)-"	"DTXSID20230347"	"CN1N=NN=C1SCCCCC(=O)N(CC)C1CCCCC1"	"InChI=1S/C15H27N5OS/c1-3-20(13-9-5-4-6-10-13)14(21)11-7-8-12-22-15-16-17-18-19(15)2/h13H,3-12H2,1-2H3"	"RDAFXSPQODNGDE-UHFFFAOYSA-N"	"?"
"4555"	"70356-03-5"			"NC(C1C=CC=CC=1)C(=O)NC1C2SCC(Cl)=C(C(O)=O)N2C1=O"	"InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)"	"QYIYFLOTGYLRGG-UHFFFAOYSA-N"	"O"
"4556"	"10297-57-1"	"2-Nonanol, 2-methyl-"	"DTXSID10145592"	"CCCCCCCC(C)(C)O"	"InChI=1S/C10H22O/c1-4-5-6-7-8-9-10(2,3)11/h11H,4-9H2,1-3H3"	"VREDNSVJXRJXRI-UHFFFAOYSA-N"	"?"
"4557"	"NOCAS_865237"	"CERAPP_37868"	"DTXSID00865237"	"NCCNCCC#N"	"InChI=1S/C5H11N3/c6-2-1-4-8-5-3-7/h8H,1,3-5,7H2"	"NSQSYCXRUVZPKI-UHFFFAOYSA-N"	"?"
"4558"	"63182-18-3"	"Phenol, 2-amino-4-octyl-, hydrochloride"	"DTXSID0069759"	"CCCCCCCCC1C=CC(O)=C(N)C=1"	"InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-12-9-10-14(16)13(15)11-12/h9-11,16H,2-8,15H2,1H3"	"WIGLOOILYJEWKY-UHFFFAOYSA-N"	"Cl"
"4559"	"NOCAS_863096"	"CERAPP_30602"	"DTXSID00863096"	"CC(O)CN(CC(C)O)C1C=CC=CC=1"	"InChI=1S/C12H19NO2/c1-10(14)8-13(9-11(2)15)12-6-4-3-5-7-12/h3-7,10-11,14-15H,8-9H2,1-2H3"	"FKOMNQCOHKHUCP-UHFFFAOYSA-N"	"?"
"4560"	"62622-42-8"	"[1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester"	"DTXSID0069591"	"CCCCCC1C=CC(=CC=1)C1C=CC(=CC=1)C(=O)OC1C=CC(=CC=1)C1C=CC(=CC=1)C#N"	"InChI=1S/C31H27NO2/c1-2-3-4-5-23-6-10-25(11-7-23)27-14-16-29(17-15-27)31(33)34-30-20-18-28(19-21-30)26-12-8-24(22-32)9-13-26/h6-21H,2-5H2,1H3"	"VQODCFCSVNXBEE-UHFFFAOYSA-N"	"?"
"4561"	"63141-09-3"	"Ethanone, 1-(1-chlorocyclopropyl)-"	"DTXSID7074581"