diff --git "a/data/huusk.csv" "b/data/huusk.csv"
--- "a/data/huusk.csv"
+++ "b/data/huusk.csv"
@@ -1,1292 +1,3 @@
-ID,Name,InChI,InChIKey,SMILES,Solubility
-E-1,n-pentane,"InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3",OFBQJSOFQDEBGM-UHFFFAOYSA-N,CCCCC,-3.18
-E-2,cyclopentane,InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,RGSFGYAAUTVSQA-UHFFFAOYSA-N,C1CCCC1,-2.64
-E-3,n-hexane,"InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3",VLKZOEOYAKHREP-UHFFFAOYSA-N,CCCCCC,-3.84
-E-4,2-methylpentane,"InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3",AFABGHUZZDYHJO-UHFFFAOYSA-N,CCCC(C)C,-3.74
-E-5,"2,2-dimethylbutane","InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3",HNRMPXKDFBEGFZ-UHFFFAOYSA-N,CCC(C)(C)C,-3.55
-E-6,cyclohexane,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,XDTMQSROBMDMFD-UHFFFAOYSA-N,C1CCCCC1,-3.1
-E-7,methylcyclopentane,"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3",GDOPTJXRTPNYNR-UHFFFAOYSA-N,C1CCCC1C,-3.3
-E-8,n-heptane,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",IMNFDUFMRHMDMM-UHFFFAOYSA-N,CCCCCCC,-4.53
-E-9,methylcyclohexane,"InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3",UAEPNZWRGJTJPN-UHFFFAOYSA-N,C1CCCCC1C,-3.85
-E-10,n-octane,"InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3",TVMXDCGIABBOFY-UHFFFAOYSA-N,CCCCCCCC,-5.24
-E-11,cycloheptane,InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2,DMEGYFMYUHOHGS-UHFFFAOYSA-N,C1CCCCCC1,-3.52
-E-12,cyclooctane,InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2,WJTCGQSWYFHTAC-UHFFFAOYSA-N,C1CCCCCCC1,-4.15
-E-13,trans-2-pentene,"InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3",QMMOXUPEWRXHJS-UHFFFAOYSA-N,CCC=CC,-2.54
-E-14,cyclopentene,"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2",LPIQUOYDBNQMRZ-UHFFFAOYSA-N,C1CC=CC1,-2.1
-E-15,1-hexene,"InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",LIKMAJRDDDTEIG-UHFFFAOYSA-N,CCCCC=C,-3.23
-E-16,4-methyl-1-pentene,"InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3",WSSSPWUEQFSQQG-UHFFFAOYSA-N,CC(C)CC=C,-3.24
-E-17,trans-2-heptene,"InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3",OTTZHAVKAVGASB-UHFFFAOYSA-N,CCCCC=CC,-3.82
-E-18,1-methylcyclohexene,"InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3",CTMHWPIWNRWQEG-UHFFFAOYSA-N,C1CC=C(C)CC1,-3.27
-E-19,1-octene,"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3",KWKAKUADMBZCLK-UHFFFAOYSA-N,CCCCCCC=C,-4.44
-E-20,1-nonene,"InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3",JRZJOMJEPLMPRA-UHFFFAOYSA-N,CCCCCCCC=C,-5.05
-E-21,"1,5-hexadiene","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2",PYGSKMBEVAICCR-UHFFFAOYSA-N,C=CCCC=C,-2.68
-E-22,"2-methyl-1,3-butadiene","InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3",RRHGJUQNOFWUDK-UHFFFAOYSA-N,C=C(C)C=C,-2.03
-E-23,"1,3-butadiene","InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2",KAKZBPTYRLMSJV-UHFFFAOYSA-N,C=CC=C,-1.87
-E-24,"1,4-cyclohexadiene","InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2",UVJHQYIOXKWHFD-UHFFFAOYSA-N,C1C=CCC=C1,-1.97
-E-25,D-limonene,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",XMGQYMWWDOXHJM-UHFFFAOYSA-N,C(=CCC(C(=C)C)C1)(C1)C,-4
-E-26,1-pentyne,"InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3",IBXNCJKFFQIKKY-UHFFFAOYSA-N,CCCC#C,-1.64
-E-27,1-hexyne,"InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3",CGHIBGNXEGJPQZ-UHFFFAOYSA-N,CCCCC#C,-2.36
-E-28,1-heptyne,"InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3",YVXHZKKCZYLQOP-UHFFFAOYSA-N,CCCCCC#C,-3.01
-E-29,1-nonyne,"InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3",OSSQSXOTMIGBCF-UHFFFAOYSA-N,CCCCCCCC#C,-4.24
-E-30,benzene,InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,UHOVQNZJYSORNB-UHFFFAOYSA-N,c1ccccc1,-1.64
-E-31,toluene,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",YXFVVABEGXRONW-UHFFFAOYSA-N,c1ccccc1C,-2.21
-E-32,o-xylene,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN-UHFFFAOYSA-N,c1cccc(C)c1C,-2.8
-E-33,p-xylene,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO-UHFFFAOYSA-N,c1cc(C)ccc1C,-2.77
-E-34,m-xylene,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR-UHFFFAOYSA-N,c1ccc(C)cc1C,-2.82
-E-35,n-propylbenzene,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",ODLMAHJVESYWTB-UHFFFAOYSA-N,c1ccccc1CCC,-3.37
-E-36,"1,2,4-trimethylbenzene","InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",GWHJZXXIDMPWGX-UHFFFAOYSA-N,c1cc(C)cc(C)c1C,-3.31
-E-37,"1,2,3-trimethylbenzene","InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3",FYGHSUNMUKGBRK-UHFFFAOYSA-N,c1ccc(C)c(C)c1C,-3.2
-E-38,1-ethyl-2-methylbenzene,"InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3",HYFLWBNQFMXCPA-UHFFFAOYSA-N,c1cccc(C)c1CC,-3.21
-E-39,1-ethyl-4-methylbenzene,"InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",JRLPEMVDPFPYPJ-UHFFFAOYSA-N,c1cc(C)ccc1CC,-3.11
-E-40,isopropylbenzene,"InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3",RWGFKTVRMDUZSP-UHFFFAOYSA-N,c1ccccc1C(C)C,-3.27
-E-41,n-butylbenzene,"InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3",OCKPCBLVNKHBMX-UHFFFAOYSA-N,c1ccccc1CCCC,-4.06
-E-42,"1,4-diethylbenzene","InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3",DSNHSQKRULAAEI-UHFFFAOYSA-N,c1cc(CC)ccc1CC,-3.75
-E-43,p-isopropyltoluene,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",HFPZCAJZSCWRBC-UHFFFAOYSA-N,c1cc(C)ccc1C(C)C,-3.77
-E-44,t-butylbenzene,"InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3",YTZKOQUCBOVLHL-UHFFFAOYSA-N,c1ccccc1C(C)(C)C,-3.66
-E-45,2-butylbenzene,"InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3",ZJMWRROPUADPEA-UHFFFAOYSA-N,c1ccccc1C(C)CC,-3.89
-E-46,pentamethylbenzene,"InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3",BEZDDPMMPIDMGJ-UHFFFAOYSA-N,c1c(C)c(C)c(C)c(C)c1C,-4
-E-47,n-pentylbenzene,"InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3",PWATWSYOIIXYMA-UHFFFAOYSA-N,c1ccccc1CCCCC,-4.64
-E-48,t-amylbenzene,"InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3",QHTJSSMHBLGUHV-UHFFFAOYSA-N,c1ccccc1C(CC)(C)C,-4.15
-E-49,styrene,"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2",PPBRXRYQALVLMV-UHFFFAOYSA-N,c1ccccc1C=C,-2.82
-E-50,biphenyl,InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H,ZUOUZKKEUPVFJK-UHFFFAOYSA-N,c1ccccc1c2ccccc2,-4.31
-E-51,diphenylmethane,"InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2",CZZYITDELCSZES-UHFFFAOYSA-N,c1ccccc1Cc2ccccc2,-4.17
-E-52,fluorene,"InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2",NIHNNTQXNPWCJQ-UHFFFAOYSA-N,c(c(c(c1ccc2)c2)ccc3)(c3)C1,-4.91
-E-53,1-methylfluorene,"InChI=1S/C14H12/c1-10-5-4-8-13-12-7-3-2-6-11(12)9-14(10)13/h2-8H,9H2,1H3",GKEUODMJRFDLJY-UHFFFAOYSA-N,c1ccc2c3ccccc3Cc2c1C,-5.22
-E-54,naphthalene,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,UFWIBTONFRDIAS-UHFFFAOYSA-N,c1ccc2ccccc2c1,-3.6
-E-55,2-methylnaphthalene,"InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3",QIMMUPPBPVKWKM-UHFFFAOYSA-N,Cc1ccc2ccccc2c1,-3.77
-E-56,1-methylnaphthalene,"InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3",QPUYECUOLPXSFR-UHFFFAOYSA-N,c1ccc2ccccc2c1C,-3.7
-E-57,2-ethylnaphthalene,"InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3",RJTJVVYSTUQWNI-UHFFFAOYSA-N,CCc1ccc2ccccc2c1,-4.29
-E-58,"1,5-dimethylnaphthalene","InChI=1S/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H3",SDDBCEWUYXVGCQ-UHFFFAOYSA-N,c1ccc2c(C)cccc2c1C,-4.74
-E-59,"2,3-dimethylnaphthalene","InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3",WWGUMAYGTYQSGA-UHFFFAOYSA-N,Cc1c(C)cc2ccccc2c1,-4.72
-E-60,acenaphthylene,InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H,HXGDTGSAIMULJN-UHFFFAOYSA-N,c1ccc2cccc3c2c1C=C3,-3.96
-E-61,"1,4-dimethylnaphthalene","InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3",APQSQLNWAIULLK-UHFFFAOYSA-N,c1cc(C)c2ccccc2c1C,-4.14
-E-62,"2,6-dimethylnaphthalene","InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3",YGYNBBAUIYTWBF-UHFFFAOYSA-N,Cc1ccc2cc(C)ccc2c1,-4.89
-E-63,acenaphthene,"InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2",CWRYPZZKDGJXCA-UHFFFAOYSA-N,c1ccc2cccc3c2c1CC3,-4.63
-E-64,"1,4,5-trimethylnaphthalene","InChI=1S/C13H14/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4-8H,1-3H3",FSAWRQYDMHSDRN-UHFFFAOYSA-N,c1cc(C)c2c(C)cccc2c1C,-4.92
-E-65,phenantherene,InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H,YNPNZTXNASCQKK-UHFFFAOYSA-N,c(c(c(c(c1)ccc2)c2)ccc3)(c1)c3,-5.26
-E-66,9-methylanthracene,"InChI=1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3",CPGPAVAKSZHMBP-UHFFFAOYSA-N,c(c(c(c(c1ccc2)c2)C)ccc3)(c3)c1,-5.89
-E-67,2-methylanthracene,"InChI=1S/C15H12/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-10H,1H3",GYMFBYTZOGMSQJ-UHFFFAOYSA-N,Cc1cc2cc3ccccc3cc2cc1,-6.96
-E-68,pyrene,InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H,BBEAQIROQSPTKN-UHFFFAOYSA-N,c(c(c(cc1)ccc2)c2cc3)(c1ccc4)c34,-6.19
-E-69,fluoranthene,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,c(c(ccc1)ccc2)(c1c(c3ccc4)c4)c23,-6
-E-70,"1,2,3,6,7,8-hexahydropyrene","InChI=1S/C16H16/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h7-10H,1-6H2",MBAIEZXRGAOPKH-UHFFFAOYSA-N,c1c(CC3)c2c(C3)ccc(CC4)c2c(C4)c1,-5.96
-E-71,benzo(a)fluorene,"InChI=1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2",HKMTVMBEALTRRR-UHFFFAOYSA-N,C3c1ccccc1c4ccc2ccccc2c34,-6.68
-E-72,benzo(b)fluorene,"InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2",HAPOJKSPCGLOOD-UHFFFAOYSA-N,c1ccc2c3cc4ccccc4cc3Cc2c1,-8.04
-E-73,triphenylene,InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H,SLGBZMMZGDRARJ-UHFFFAOYSA-N,c1ccc2c3ccccc3c4ccccc4c2c1,-6.74
-E-74,benzo(a)pyrene,InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H,FMMWHPNWAFZXNH-UHFFFAOYSA-N,c(c(c(cc1)ccc2)c2cc3)(c3cc(c4ccc5)c5)c14,-8.19
-E-75,"7,12-dimethylbenz(a)anthracene","InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3",ARSRBNBHOADGJU-UHFFFAOYSA-N,c(c(c(c(c1)ccc2)c2)c(c(c3ccc4)c4)C)(c3C)c1,-7.02
-E-76,benzo(e)pyrene,InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H,TXVHTIQJNYSSKO-UHFFFAOYSA-N,c1ccc2c(c1)c4cccc5ccc3cccc2c3c45,-7.8
-E-77,perylene,InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H,CSHWQDPOILHKBI-UHFFFAOYSA-N,c(c(ccc1)ccc2)(c1c(c(c(cc3)ccc4)c45)c3)c25,-8.8
-E-78,benzo(ghi)perylene,InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H,GYFAGKUZYNFMBN-UHFFFAOYSA-N,c16cccc2ccc3ccc4ccc5cccc6c5c4c3c12,-9.03
-E-79,dibenzothiophene,InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H,IYYZUPMFVPLQIF-UHFFFAOYSA-N,s(c(c(c1cccc2)ccc3)c3)c12,-4.38
-E-80,acridine,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,n(c(c(ccc1)cc2cccc3)c1)c23,-3.67
-E-81,1-aminoacridine,"InChI=1S/C13H10N2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13/h1-8H,14H2",LOMMDWBTANPFEJ-UHFFFAOYSA-N,c1ccc2nc3cccc(N)c3cc2c1,-4.22
-E-82,2-aminoanthracene,"InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2",YCSBALJAGZKWFF-UHFFFAOYSA-N,Nc3ccc2cc1ccccc1cc2c3,-5.17
-E-83,2-ethylanthracene,"InChI=1S/C16H14/c1-2-12-7-8-15-10-13-5-3-4-6-14(13)11-16(15)9-12/h3-11H,2H2,1H3",ZXAGXLDEMUNQSH-UHFFFAOYSA-N,c1cc2cc3cc(CC)ccc3cc2cc1,-6.89
-E-84,benzo(b)fluoranthene,InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H,FTOVXSOBNPWTSH-UHFFFAOYSA-N,c12ccccc1cc3c4ccccc4c5c3c2ccc5,-8.23
-E-85,benzo(j)fluoranthene,InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H,KHNYNFUTFKJLDD-UHFFFAOYSA-N,c1ccc4c(c1)ccc5c2cccc3cccc(c23)c45,-8
-E-86,benzo(k)fluoranthene,InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H,HAXBIWFMXWRORI-UHFFFAOYSA-N,c2ccc1cc3c(cc1c2)c4cccc5cccc3c45,-8.49
-E-87,"dibenz(a,h)anthracene",InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H,LHRCREOYAASXPZ-UHFFFAOYSA-N,c(c(c(c(c1)ccc2)c2)cc(c3c(c(c4)ccc5)c5)c4)(c1)c3,-8.66
-E-88,iodomethane,InChI=1S/CH3I/c1-2/h1H3,INQOMBQAUSQDDS-UHFFFAOYSA-N,CI,-1
-E-89,dichloromethane,InChI=1S/CH2Cl2/c2-1-3/h1H2,YMWUJEATGCHHMB-UHFFFAOYSA-N,ClCCl,-0.63
-E-90,bromochloromethane,InChI=1S/CH2BrCl/c2-1-3/h1H2,JPOXNPPZZKNXOV-UHFFFAOYSA-N,BrCCl,-0.89
-E-91,chloroform,InChI=1S/CHCl3/c2-1(3)4/h1H,HEDRZPFGACZZDS-UHFFFAOYSA-N,ClC(Cl)Cl,-1.17
-E-92,bromodichloromethane,InChI=1S/CHBrCl2/c2-1(3)4/h1H,FMWLUWPQPKEARP-UHFFFAOYSA-N,ClC(Br)Cl,-1.54
-E-93,chlorodibromomethane,InChI=1S/CHBr2Cl/c2-1(3)4/h1H,GATVIKZLVQHOMN-UHFFFAOYSA-N,ClC(Br)Br,-1.9
-E-94,bromoform,InChI=1S/CHBr3/c2-1(3)4/h1H,DIKBFYAXUHHXCS-UHFFFAOYSA-N,BrC(Br)Br,-1.91
-E-95,tetrabromomethane,"InChI=1S/CBr4/c2-1(3,4)5",HJUGFYREWKUQJT-UHFFFAOYSA-N,BrC(Br)(Br)Br,-3.14
-E-96,bromoethane,"InChI=1S/C2H5Br/c1-2-3/h2H2,1H3",RDHPKYGYEGBMSE-UHFFFAOYSA-N,CCBr,-1.09
-E-97,iodoethane,"InChI=1S/C2H5I/c1-2-3/h2H2,1H3",HVTICUPFWKNHNG-UHFFFAOYSA-N,CCI,-1.6
-E-98,"1,1-dichloroethane","InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3",SCYULBFZEHDVBN-UHFFFAOYSA-N,ClC(Cl)C,-1.29
-E-99,1-chloro-2-bromoethane,InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2,IBYHHJPAARCAIE-UHFFFAOYSA-N,ClCCBr,-1.32
-E-100,"1,2-dibromoethane",InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2,PAAZPARNPHGIKF-UHFFFAOYSA-N,BrCCBr,-1.68
-E-101,"1,1,1-trichloroethane","InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3",UOCLXMDMGBRAIB-UHFFFAOYSA-N,ClC(Cl)(Cl)C,-2
-E-102,"1,1,2-trichloroethane","InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2",UBOXGVDOUJQMTN-UHFFFAOYSA-N,ClC(Cl)CCl,-1.48
-E-103,"1,1,1,2-tetrachloroethane","InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2",QVLAWKAXOMEXPM-UHFFFAOYSA-N,ClC(Cl)(Cl)CCl,-2.18
-E-104,pentachloroethane,"InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H",BNIXVQGCZULYKV-UHFFFAOYSA-N,ClC(Cl)(Cl)C(Cl)Cl,-2.6
-E-105,"1,1,2-trichlorotrifluoroethane","InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8",AJDIZQLSFPQPEY-UHFFFAOYSA-N,ClC(Cl)(F)C(F)(F)Cl,-3.04
-E-106,hexachloroethane,"InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8",VHHHONWQHHHLTI-UHFFFAOYSA-N,ClC(Cl)(Cl)C(Cl)(Cl)Cl,-3.67
-E-107,2-chloropropane,"InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3",ULYZAYCEDJDHCC-UHFFFAOYSA-N,CC(Cl)C,-1.41
-E-108,1-bromopropane,"InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3",CYNYIHKIEHGYOZ-UHFFFAOYSA-N,CCCBr,-1.73
-E-109,2-bromopropane,"InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3",NAMYKGVDVNBCFQ-UHFFFAOYSA-N,CC(Br)C,-1.59
-E-110,1-iodopropane,"InChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3",PVWOIHVRPOBWPI-UHFFFAOYSA-N,CCCI,-2.29
-E-111,"1,3-dichloropropane",InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2,YHRUOJUYPBUZOS-UHFFFAOYSA-N,ClCCCCl,-1.62
-E-112,"1,2-dichloropropane","InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3",KNKRKFALVUDBJE-UHFFFAOYSA-N,ClCC(Cl)C,-1.6
-E-113,1-bromo-3-chloropropane,InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2,MFESCIUQSIBMSM-UHFFFAOYSA-N,BrCCCCl,-1.85
-E-114,"1,3-dibromopropane",InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2,VEFLKXRACNJHOV-UHFFFAOYSA-N,BrCCCBr,-2.08
-E-115,"1,2-dibromo-3-chloropropane","InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2",WBEJYOJJBDISQU-UHFFFAOYSA-N,BrCC(Br)CCl,-2.38
-E-116,"1,2,3-trichloropropane","InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2",CFXQEHVMCRXUSD-UHFFFAOYSA-N,ClCC(Cl)CCl,-1.92
-E-117,1-chlorobutane,"InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3",VFWCMGCRMGJXDK-UHFFFAOYSA-N,CCCCCl,-2.03
-E-118,2-chlorobutane,"InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3",BSPCSKHALVHRSR-UHFFFAOYSA-N,CC(Cl)CC,-1.96
-E-119,1-iodobutane,"InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3",KMGBZBJJOKUPIA-UHFFFAOYSA-N,ICCCC,-2.96
-E-120,1-chloro-2-methylpropane,"InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3",QTBFPMKWQKYFLR-UHFFFAOYSA-N,CC(C)CCl,-2
-E-121,1-bromo-2-methylpropane,"InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3",HLVFKOKELQSXIQ-UHFFFAOYSA-N,CC(C)CBr,-2.43
-E-122,"1,1-dichlorobutane","InChI=1S/C4H8Cl2/c1-2-3-4(5)6/h4H,2-3H2,1H3",SEQRDAAUNCRFIT-UHFFFAOYSA-N,ClC(Cl)CCC,-2.4
-E-123,1-chloropentane,"InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3",SQCZQTSHSZLZIQ-UHFFFAOYSA-N,CCCCCCl,-2.73
-E-124,2-chloropentane,"InChI=1S/C5H11Cl/c1-3-4-5(2)6/h5H,3-4H2,1-2H3",NFRKUDYZEVQXTE-UHFFFAOYSA-N,CC(Cl)CCC,-2.63
-E-125,3-chloropentane,"InChI=1S/C5H11Cl/c1-3-5(6)4-2/h5H,3-4H2,1-2H3",CXQSCYIVCSCSES-UHFFFAOYSA-N,CCC(Cl)CC,-2.63
-E-126,2-chloro-2-methylbutane,"InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3",CRNIHJHMEQZAAS-UHFFFAOYSA-N,CC(C)(Cl)CC,-2.51
-E-127,"2,3-dichloro-2-methylbutane","InChI=1S/C5H10Cl2/c1-4(6)5(2,3)7/h4H,1-3H3",TXTORVZCRUFBBO-UHFFFAOYSA-N,CC(C)(Cl)C(Cl)C,-2.69
-E-128,1-chlorohexane,"InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3",MLRVZFYXUZQSRU-UHFFFAOYSA-N,CCCCCCCl,-3.12
-E-129,1-bromopentane,"InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3",YZWKKMVJZFACSU-UHFFFAOYSA-N,CCCCCBr,-3.07
-E-130,1-bromohexane,"InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3",MNDIARAMWBIKFW-UHFFFAOYSA-N,CCCCCCBr,-3.81
-E-131,bromocyclohexane,"InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2",AQNQQHJNRPDOQV-UHFFFAOYSA-N,C1CCCCC1Br,-2.3
-E-132,halothane,"InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H",BCQZXOMGPXTTIC-UHFFFAOYSA-N,FC(F)(F)C(Cl)Br,-1.71
-E-133,"1,2-dichlorotetrafluoroethane","InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8",DDMOUSALMHHKOS-UHFFFAOYSA-N,FC(F)(C(F)(F)Cl)Cl,-3.12
-E-134,gamma-hexachlorocyclohexane,InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,JLYXXMFPNIAWKQ-UHFFFAOYSA-N,C(C(C(C(C1Cl)Cl)Cl)Cl)(C1Cl)Cl,-4.59
-E-135,1-chloroheptane,"InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3",DZMDPHNGKBEVRE-UHFFFAOYSA-N,CCCCCCCCl,-3.99
-E-136,1-iodoheptane,"InChI=1S/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H3",LMHCYRULPLGEEZ-UHFFFAOYSA-N,CCCCCCCI,-4.81
-E-137,"1,1-dichloroethylene",InChI=1S/C2H2Cl2/c1-2(3)4/h1H2,LGXVIGDEPROXKC-UHFFFAOYSA-N,ClC(Cl)=C,-1.64
-E-138,"1,2-dichloroethylene",InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H,KFUSEUYYWQURPO-UHFFFAOYSA-N,ClC=CCl,-1.3
-E-139,"1,2-diiodoethylene",InChI=1S/C2H2I2/c3-1-2-4/h1-2H,CVOGMKGEVNGRSK-UHFFFAOYSA-N,IC=CI,-3.22
-E-140,trichloroethylene,InChI=1S/C2HCl3/c3-1-2(4)5/h1H,XSTXAVWGXDQKEL-UHFFFAOYSA-N,ClC=C(Cl)Cl,-1.96
-E-141,tetrachloroethylene,InChI=1S/C2Cl4/c3-1(4)2(5)6,CYTYCFOTNPOANT-UHFFFAOYSA-N,ClC(Cl)=C(Cl)Cl,-2.54
-E-142,3-chloropropylene,"InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2",OSDWBNJEKMUWAV-UHFFFAOYSA-N,C=CCCl,-1.36
-E-143,heptachlor_epoxide,"InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H",ZXFXBSWRVIQKOD-UHFFFAOYSA-N,ClC2C1OC1C3C2C4(Cl)C(=C(Cl)C3(Cl)C4(Cl)Cl)Cl,-6.29
-E-144,aldrin,"InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2",QBYJBZPUGVGKQQ-UHFFFAOYSA-N,ClC3=C(Cl)C4(Cl)C2C1CC(C=C1)C2C3(Cl)C4(Cl)Cl,-7.33
-E-145,endrin,"InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2",DFBKLUNHFCTMDC-UHFFFAOYSA-N,ClC4=C(Cl)C5(Cl)C3C1CC(C2OC12)C3C4(Cl)C5(Cl)Cl,-6.18
-E-146,3-bromopropylene,"InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2",BHELZAPQIKSEDF-UHFFFAOYSA-N,C=CCBr,-1.5
-E-147,hexachlorocyclopentadiene,"InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8",VUNCWTMEJYMOOR-UHFFFAOYSA-N,C(=C(C(=C1Cl)Cl)Cl)(C1(Cl)Cl)Cl,-5.18
-E-148,pentachlorobutadiene,InChI=1S/C4HCl5/c5-2(4(8)9)1-3(6)7/h1H,WVFBDVFCOCLEFM-UHFFFAOYSA-N,ClC(=C(C=C(Cl)Cl)Cl)Cl,-4.23
-E-149,fluorobenzene,InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H,PYLWMHQQBFSUBP-UHFFFAOYSA-N,c1ccccc1F,-1.8
-E-150,chlorobenzene,InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H,MVPPADPHJFYWMZ-UHFFFAOYSA-N,c1ccccc1Cl,-2.38
-E-151,1-fluoro-4-iodobenzene,InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H,KGNQDBQYEBMPFZ-UHFFFAOYSA-N,c1cc(I)ccc1F,-3.13
-E-152,"1,4-dichlorobenzene",InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H,OCJBOOLMMGQPQU-UHFFFAOYSA-N,c1cc(Cl)ccc1Cl,-3.27
-E-153,"1,2-dichlorobenzene",InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H,RFFLAFLAYFXFSW-UHFFFAOYSA-N,c1cccc(Cl)c1Cl,-3.05
-E-154,"1,3-dichlorobenzene",InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H,ZPQOPVIELGIULI-UHFFFAOYSA-N,c1ccc(Cl)cc1Cl,-3.04
-E-155,1-bromo-3-chlorobenzene,InChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H,JRGGUPZKKTVKOV-UHFFFAOYSA-N,c1ccc(Cl)cc1Br,-3.21
-E-156,1-bromo-4-chlorobenzene,InChI=1S/C6H4BrCl/c7-5-1-3-6(8)4-2-5/h1-4H,NHDODQWIKUYWMW-UHFFFAOYSA-N,c1cc(Cl)ccc1Br,-3.63
-E-157,"1,4-dibromobenzene",InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H,SWJPEBQEEAHIGZ-UHFFFAOYSA-N,c1cc(Br)ccc1Br,-4.07
-E-158,"1,2-dibromobenzene",InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H,WQONPSCCEXUXTQ-UHFFFAOYSA-N,c1cccc(Br)c1Br,-3.5
-E-159,"1,2,4-trichlorobenzene",InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H,PBKONEOXTCPAFI-UHFFFAOYSA-N,c1cc(Cl)cc(Cl)c1Cl,-3.59
-E-160,"1,2,3-trichlorobenzene",InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H,RELMFMZEBKVZJC-UHFFFAOYSA-N,c1ccc(Cl)c(Cl)c1Cl,-4
-E-161,"1,3,5-trichlorobenzene",InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H,XKEFYDZQGKAQCN-UHFFFAOYSA-N,c1c(Cl)cc(Cl)cc1Cl,-4.48
-E-162,"1,2,3-tribromobenzene",InChI=1S/C6H3Br3/c7-4-2-1-3-5(8)6(4)9/h1-3H,GMVJKSNPLYBFSO-UHFFFAOYSA-N,c1ccc(Br)c(Br)c1Br,-5.04
-E-163,"1,2,3,5-tetrafluorobenzene",InChI=1S/C6H2F4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,UHHYOKRQTQBKSB-UHFFFAOYSA-N,c1c(F)cc(F)c(F)c1F,-2.31
-E-164,"1,2,4,5-tetrafluorobenzene",InChI=1S/C6H2F4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,SDXUIOOHCIQXRP-UHFFFAOYSA-N,c1c(F)c(F)cc(F)c1F,-2.38
-E-165,"1,2,3,5-tetrachlorobenzene",InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,QZYNWJQFTJXIRN-UHFFFAOYSA-N,c1c(Cl)cc(Cl)c(Cl)c1Cl,-4.63
-E-166,"1,2,3,4-tetrachlorobenzene",InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,GBDZXPJXOMHESU-UHFFFAOYSA-N,c1cc(Cl)c(Cl)c(Cl)c1Cl,-4.57
-E-167,iodobenzene,InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H,SNHMUERNLJLMHN-UHFFFAOYSA-N,c1ccccc1I,-2.78
-E-168,p-bromotoluene,"InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3",ZBTMRBYMKUEVEU-UHFFFAOYSA-N,c1cc(Br)ccc1C,-3.19
-E-169,p-fluorobenzyl_chloride,"InChI=1S/C7H6ClF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2",IZXWCDITFDNEBY-UHFFFAOYSA-N,c1cc(F)ccc1CCl,-2.54
-E-170,p-difluorobenzene,InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H,QUGUFLJIAFISSW-UHFFFAOYSA-N,c1cc(F)ccc1F,-1.97
-E-171,m-bromotoluene,"InChI=1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3",WJIFKOVZNJTSGO-UHFFFAOYSA-N,c1ccc(Br)cc1C,-3.52
-E-172,o-chlorotoluene,"InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3",IBSQPLPBRSHTTG-UHFFFAOYSA-N,c1cccc(Cl)c1C,-3.52
-E-173,alfa-chlorotoluene,"InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",KCXMKQUNVWSEMD-UHFFFAOYSA-N,c1ccccc1CCl,-2.39
-E-174,p-chlorotoluene,"InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3",NPDACUSDTOMAMK-UHFFFAOYSA-N,c1cc(Cl)ccc1C,-3.08
-E-175,2-chlorobiphenyl,InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,LAXBNTIAOJWAOP-UHFFFAOYSA-N,c1ccccc1c2c(Cl)cccc2,-4.54
-E-176,3-chlorobiphenyl,InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,NMWSKOLWZZWHPL-UHFFFAOYSA-N,c1ccccc1c2cc(Cl)ccc2,-4.88
-E-177,"4,4’-PCB",InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,YTBRNEUEFCNVHC-UHFFFAOYSA-N,c1cc(Cl)ccc1c2ccc(Cl)cc2,-6.56
-E-178,"2,2’-PCB",InChI=1S/C12H8Cl2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,JAYCNKDKIKZTAF-UHFFFAOYSA-N,c1cccc(Cl)c1c2c(Cl)cccc2,-5.27
-E-179,"3,3’-PCB",InChI=1S/C12H8Cl2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H,KTXUOWUHFLBZPW-UHFFFAOYSA-N,c1ccc(Cl)cc1c2cc(Cl)ccc2,-5.8
-E-180,"3,4-PCB",InChI=1S/C12H8Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8H,ZGHQUYZPMWMLBM-UHFFFAOYSA-N,c1ccccc1c2cc(Cl)c(Cl)cc2,-6.39
-E-181,"2,4-PCB",InChI=1S/C12H8Cl2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H,WEJZHZJJXPXXMU-UHFFFAOYSA-N,c1ccccc1c2c(Cl)cc(Cl)cc2,-5.25
-E-182,"2,6-PCB",InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H,IYZWUWBAFUBNCH-UHFFFAOYSA-N,c1ccccc1c2c(Cl)cccc2Cl,-5.21
-E-183,"2,4,5-PCB",InChI=1S/C12H7Cl3/c13-10-7-12(15)11(14)6-9(10)8-4-2-1-3-5-8/h1-7H,VGVIKVCCUATMNG-UHFFFAOYSA-N,c1ccccc1c2c(Cl)cc(Cl)c(Cl)c2,-6.27
-E-184,"2,4’,5-PCB",InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H,VAHKBZSAUKPEOV-UHFFFAOYSA-N,c1cc(Cl)ccc1c2c(Cl)ccc(Cl)c2,-6.25
-E-185,"2,4,6-PCB",InChI=1S/C12H7Cl3/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H,MTLMVEWEYZFYTH-UHFFFAOYSA-N,c1ccccc1c2c(Cl)cc(Cl)cc2Cl,-6.14
-E-186,"2,3’,5-PCB",InChI=1S/C12H7Cl3/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7H,ONNCPBRWFSKDMQ-UHFFFAOYSA-N,c1ccc(Cl)cc1c2c(Cl)ccc(Cl)c2,-6.01
-E-187,"2,3,4’-PCB",InChI=1S/C12H7Cl3/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7H,ZMHWQAHZKUPENF-UHFFFAOYSA-N,c1cc(Cl)ccc1c2c(Cl)c(Cl)ccc2,-6.26
-E-188,"2,4,4’-PCB",InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H,BZTYNSQSZHARAZ-UHFFFAOYSA-N,c1cc(Cl)ccc1c2c(Cl)cc(Cl)cc2,-6.21
-E-189,"2,3,6-PCB",InChI=1S/C12H7Cl3/c13-9-6-7-10(14)12(15)11(9)8-4-2-1-3-5-8/h1-7H,LVROLHVSYNLFBE-UHFFFAOYSA-N,c1ccccc1c2c(Cl)c(Cl)ccc2Cl,-6.29
-E-190,"2,2’,3,3’-PCB",InChI=1S/C12H6Cl4/c13-9-5-1-3-7(11(9)15)8-4-2-6-10(14)12(8)16/h1-6H,VTLYHLREPCPDKX-UHFFFAOYSA-N,c1ccc(Cl)c(Cl)c1c2c(Cl)c(Cl)ccc2,-7.28
-E-191,"2,3’,4,4’-PCB",InChI=1S/C12H6Cl4/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6H,RKLLTEAEZIJBAU-UHFFFAOYSA-N,c1cc(Cl)c(Cl)cc1c2c(Cl)cc(Cl)cc2,-7.8
-E-192,"2,2’,3,5’-PCB",InChI=1S/C12H6Cl4/c13-7-4-5-10(14)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H,ALDJIKXAHSDLLB-UHFFFAOYSA-N,c1ccc(Cl)c(Cl)c1c2c(Cl)ccc(Cl)c2,-6.47
-E-193,"2,2’,4,5’-PCB",InChI=1S/C12H6Cl4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H,ZWPVHELAQPIZHO-UHFFFAOYSA-N,c1cc(Cl)cc(Cl)c1c2c(Cl)ccc(Cl)c2,-6.57
-E-194,"2,2',5,5'-PCB",InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H,HCWZEPKLWVAEOV-UHFFFAOYSA-N,c1c(Cl)ccc(Cl)c1c2c(Cl)ccc(Cl)c2,-7
-E-195,"2,2',6,6'-PCB",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,Clc1cccc(Cl)c1c2c(Cl)cccc2Cl,-7.39
-E-196,"2,3',4',5-PCB",InChI=1S/C12H6Cl4/c13-8-2-4-10(14)9(6-8)7-1-3-11(15)12(16)5-7/h1-6H,KENZYIHFBRWMOD-UHFFFAOYSA-N,c1cc(Cl)c(Cl)cc1c2c(Cl)ccc(Cl)c2,-7.25
-E-197,"2,2',4,4'-PCB",InChI=1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H,QORAVNMWUNPXAO-UHFFFAOYSA-N,c1cc(Cl)cc(Cl)c1c2c(Cl)cc(Cl)cc2,-6.51
-E-198,"2,2',3,3',4-PCB",InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H,WIDHRBRBACOVOY-UHFFFAOYSA-N,c1cc(Cl)c(Cl)cc1c2c(Cl)c(Cl)c(Cl)cc2,-7.05
-E-199,"2,2,4,6,6'-PCB",InChI=1S/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H,MTCPZNVSDFCBBE-UHFFFAOYSA-N,Clc1cccc(Cl)c1c2c(Cl)cc(Cl)cc2Cl,-7.32
-E-200,"2,3',4,4',5-PCB",InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H,IUTPYMGCWINGEY-UHFFFAOYSA-N,c1cc(Cl)c(Cl)cc1c2c(Cl)cc(Cl)c(Cl)c2,-7.39
-E-201,"2,2',3,4,5-PCB",InChI=1S/C12H5Cl5/c13-8-4-2-1-3-6(8)7-5-9(14)11(16)12(17)10(7)15/h1-5H,AIURIRUDHVDRFQ-UHFFFAOYSA-N,c1c(Cl)c(Cl)c(Cl)c(Cl)c1c2c(Cl)cccc2,-7.21
-E-202,"2,2',3,4,6-PCB",InChI=1S/C12H5Cl5/c13-7-4-2-1-3-6(7)10-8(14)5-9(15)11(16)12(10)17/h1-5H,QGDKRLQRLFUJPP-UHFFFAOYSA-N,Clc1cc(Cl)c(Cl)c(Cl)c1c2c(Cl)cccc2,-7.43
-E-203,"2,2',4,4'5,5'-PCB",InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,MVWHGTYKUMDIHL-UHFFFAOYSA-N,c1c(Cl)c(Cl)cc(Cl)c1c2c(Cl)cc(Cl)c(Cl)c2,-8.56
-E-204,"2,2',3,3',6,6'-PCB",InChI=1S/C12H4Cl6/c13-6-1-2-7(14)12(18)11(6)5-3-9(16)10(17)4-8(5)15/h1-4H,LKHLFUVHHXCNJH-UHFFFAOYSA-N,Clc1cc(Cl)c(Cl)cc1c2c(Cl)c(Cl)ccc2Cl,-8.65
-E-205,"2,2',3,3',5',6-PCB",InChI=1S/C12H4Cl6/c13-5-1-7(12(18)11(17)2-5)6-3-9(15)10(16)4-8(6)14/h1-4H,BQHCQAQLTCQFJZ-UHFFFAOYSA-N,Clc1cc(Cl)c(Cl)cc1c2c(Cl)c(Cl)cc(Cl)c2,-8.6
-E-206,"2,2',3,4,4',5'-PCB",InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H,RPUMZMSNLZHIGZ-UHFFFAOYSA-N,c1cc(Cl)c(Cl)c(Cl)c1c2c(Cl)cc(Cl)c(Cl)c2,-8.32
-E-207,"2,2',3,5,5',6-PCB",InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H,UHCLFIWDCYOTOL-UHFFFAOYSA-N,Clc1c(Cl)cc(Cl)c(Cl)c1c2c(Cl)ccc(Cl)c2,-7.42
-E-208,"2,2',4,4',6,6'-PCB",InChI=1S/C12H4Cl6/c13-5-1-7(12(18)10(17)4-5)11-8(15)2-6(14)3-9(11)16/h1-4H,CTVRBEKNQHJPLX-UHFFFAOYSA-N,Clc1c(Cl)cc(Cl)cc1c2c(Cl)cc(Cl)cc2Cl,-8.71
-E-209,"2,3,3',4,4',5-PCB",InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H,LCXMEXLGMKFLQO-UHFFFAOYSA-N,c1cc(Cl)c(Cl)cc1c2c(Cl)c(Cl)c(Cl)c(Cl)c2,-7.82
-E-210,"2,3,3',4,4'6-PCB",InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-8(15)4-9(16)11(17)12(10)18/h1-4H,ZQUPQXINXTWCQR-UHFFFAOYSA-N,c1cc(Cl)c(Cl)cc1c2c(Cl)c(Cl)c(Cl)cc2Cl,-7.66
-E-211,"2,2',3,3',4,5-PCB",InChI=1S/C12H4Cl6/c13-7-3-1-2-5(9(7)15)6-4-8(14)11(17)12(18)10(6)16/h1-4H,VQQKIXKPMJTUMP-UHFFFAOYSA-N,c1ccc(Cl)c(Cl)c1c2c(Cl)c(Cl)c(Cl)c(Cl)c2,-8.42
-E-212,"2,2',3,4,4',5',6-PCB",InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-8(16)3-9(17)11(18)12(10)19/h1-3H,KQBFUDNJKCZEDQ-UHFFFAOYSA-N,Clc1cc(Cl)c(Cl)c(Cl)c1c2c(Cl)cc(Cl)c(Cl)c2,-7.92
-E-213,"2,2',3,3',4,4',6-PCB",InChI=1S/C12H3Cl7/c13-5-2-1-4(9(16)10(5)17)8-6(14)3-7(15)11(18)12(8)19/h1-3H,TZMHVHLTPWKZCI-UHFFFAOYSA-N,c1cc(Cl)c(Cl)c(Cl)c1c2c(Cl)c(Cl)c(Cl)cc2Cl,-8.3
-E-214,"2,2',3,4,5,5',6-PCB",InChI=1S/C12H3Cl7/c13-4-1-2-6(14)5(3-4)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H,PYZHTHZEHQHHEN-UHFFFAOYSA-N,c1c(Cl)ccc(Cl)c1c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,-8.94
-E-215,"2,2',3,3',4,4',5,5'-PCB",InChI=1S/C12H2Cl8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H,DTMRKGRREZAYAP-UHFFFAOYSA-N,c1c(Cl)c(Cl)c(Cl)c(Cl)c1c2c(Cl)c(Cl)c(Cl)c(Cl)c2,-9.16
-E-216,"2,2',3,3',4,4',5,5',6-PCB",InChI=1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H,JFIMDKGRGPNPRQ-UHFFFAOYSA-N,c1c(Cl)c(Cl)c(Cl)c(Cl)c1c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,-10.26
-E-217,"2,2',3,3',4,5,5',6,6'-PCB",InChI=1S/C12HCl9/c13-2-1-3(14)7(16)4(6(2)15)5-8(17)10(19)12(21)11(20)9(5)18/h1H,XIFFTDRFWYFAPO-UHFFFAOYSA-N,Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1c2c(Cl)c(Cl)cc(Cl)c2Cl,-10.41
-E-218,"2,2',3,3',4,4',5,5',6,6'-PCB",InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16,ONXPZLFXDMAPRO-UHFFFAOYSA-N,Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,-11.62
-E-219,"p,p'-DDE",InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H,UCNVFOCBFJOQAL-UHFFFAOYSA-N,ClC(Cl)=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,-6.9
-E-220,2-chloronaphthalene,InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,CGYGETOMCSJHJU-UHFFFAOYSA-N,c(c(ccc1Cl)ccc2)(c2)c1,-4.14
-E-221,1-chloronaphthalene,InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,JTPNRXUCIXHOKM-UHFFFAOYSA-N,c1ccc2ccccc2c1Cl,-3.93
-E-222,1-bromonapthtalene,InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,DLKQHBOKULLWDQ-UHFFFAOYSA-N,c1ccc2ccccc2c1Br,-4.35
-E-223,1-butanol,"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",LRHPLDYGYMQRHN-UHFFFAOYSA-N,CCCCO,0
-E-224,2-butanol,"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3",BTANRVKWQNVYAZ-UHFFFAOYSA-N,CCC(O)C,0.43
-E-225,2-methylpropanol,"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3",ZXEKIIBDNHEJCQ-UHFFFAOYSA-N,OCC(C)C,0.04
-E-226,1-pentanol,"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3",AMQJEAYHLZJPGS-UHFFFAOYSA-N,CCCCCO,-0.6
-E-227,3-pentanol,"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3",AQIXEPGDORPWBJ-UHFFFAOYSA-N,CCC(O)CC,-0.24
-E-228,2-ethyl-2-propanol,"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3",MSXVEPNJUHWQHW-UHFFFAOYSA-N,CC(O)(CC)C,0.08
-E-229,2-methyl-1-butanol,"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",QPRQEDXDYOZYLA-UHFFFAOYSA-N,CCC(C)CO,-0.47
-E-230,isopentanol,"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3",PHTQWCKDNZKARW-UHFFFAOYSA-N,OCCC(C)C,-0.52
-E-231,3-methyl-2-butanol,"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3",MXLMTQWGSQIYOW-UHFFFAOYSA-N,OC(C(C)C)C,-0.2
-E-232,1-hexanol,"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",ZSIAUFGUXNUGDI-UHFFFAOYSA-N,CCCCCCO,-1.24
-E-233,3-hexanol,"InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3",ZOCHHNOQQHDWHG-UHFFFAOYSA-N,CCC(O)CCC,-0.8
-E-234,2-hexanol,"InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3",QNVRIHYSUZMSGM-UHFFFAOYSA-N,CC(O)CCCC,-0.89
-E-235,2-methyl-3-pentanol,"InChI=1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3",ISTJMQSHILQAEC-UHFFFAOYSA-N,CCC(O)C(C)C,-0.7
-E-236,4-methyl-2-pentanol,"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3",WVYWICLMDOOCFB-UHFFFAOYSA-N,OC(CC(C)C)C,-0.8
-E-237,2-methyl-2-pentanol,"InChI=1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3",WFRBDWRZVBPBDO-UHFFFAOYSA-N,OC(CCC)(C)C,-0.49
-E-238,2-methyl-1-pentanol,"InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3",PFNHSEQQEPMLNI-UHFFFAOYSA-N,OCC(CCC)C,-1.11
-E-239,"2,2-dimethyl-1-butanol","InChI=1S/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3",XRMVWAKMXZNZIL-UHFFFAOYSA-N,CCC(C)(C)CO,-1.04
-E-240,"3,3-dimethyl-1-butanol","InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3",DUXCSEISVMREAX-UHFFFAOYSA-N,OCCC(C)(C)C,-0.5
-E-241,2-ethyl-1-butanol,"InChI=1S/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3",TZYRSLHNPKPEFV-UHFFFAOYSA-N,OCC(CC)CC,-1.17
-E-242,3-methyl-2-pentanol,"InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3",ZXNBBWHRUSXUFZ-UHFFFAOYSA-N,CC(O)C(C)CC,-0.72
-E-243,3-methyl-3-pentanol,"InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3",FRDAATYAJDYRNW-UHFFFAOYSA-N,OC(CC)(CC)C,-0.38
-E-244,"2,3-dimethyl-2-butanol","InChI=1S/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3",IKECULIHBUCAKR-UHFFFAOYSA-N,CC(O)(C)C(C)C,-0.41
-E-245,cyclohexanol,"InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2",HPXRVTGHNJAIIH-UHFFFAOYSA-N,C1CCCCC1O,-0.44
-E-246,1-heptanol,"InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3",BBMCTIGTTCKYKF-UHFFFAOYSA-N,OCCCCCCC,-1.81
-E-247,3-heptanol,"InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3",RZKSECIXORKHQS-UHFFFAOYSA-N,CCCCC(O)CC,-1.47
-E-248,4-heptanol,"InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3",YVBCULSIZWMTFY-UHFFFAOYSA-N,CCCC(O)CCC,-1.4
-E-249,"2,4-dimethyl-2-pentanol","InChI=1S/C7H16O/c1-6(2)5-7(3,4)8/h6,8H,5H2,1-4H3",FMLSQAUAAGVTJO-UHFFFAOYSA-N,CC(O)(C)CC(C)C,-0.92
-E-250,"2,2-dimethyl-1-pentanol","InChI=1S/C7H16O/c1-4-5-7(2,3)6-8/h8H,4-6H2,1-3H3",QTOMCRXZFDHJOL-UHFFFAOYSA-N,OCC(C)(C)CCC,-1.52
-E-251,"4,4-dimethyl-1-pentanol","InChI=1S/C7H16O/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3",OWCNPTHAWPMOJU-UHFFFAOYSA-N,OCCCC(C)(C)C,-1.55
-E-252,5-methyl-2-hexanol,"InChI=1S/C7H16O/c1-6(2)4-5-7(3)8/h6-8H,4-5H2,1-3H3",ZDVJGWXFXGJSIU-UHFFFAOYSA-N,CC(O)CCC(C)C,-1.38
-E-253,2-methyl-2-hexanol,"InChI=1S/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3",KRIMXCDMVRMCTC-UHFFFAOYSA-N,CCCCC(O)(C)C,-1.08
-E-254,"2,2-dimethyl-3-pentanol","InChI=1S/C7H16O/c1-5-6(8)7(2,3)4/h6,8H,5H2,1-4H3",HMSVXZJWPVIVIV-UHFFFAOYSA-N,CC(C)(C)C(O)CC,-1.15
-E-255,3-methyl-3-hexanol,"InChI=1S/C7H16O/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3",KYWJZCSJMOILIZ-UHFFFAOYSA-N,CCC(O)(C)CCC,-1
-E-256,"2,3-dimethyl-2-pentanol","InChI=1S/C7H16O/c1-5-6(2)7(3,4)8/h6,8H,5H2,1-4H3",YRSIFCHKXFKNME-UHFFFAOYSA-N,CC(O)(C)C(C)CC,-0.89
-E-257,"2,3-dimethyl-3-pentanol","InChI=1S/C7H16O/c1-5-7(4,8)6(2)3/h6,8H,5H2,1-4H3",RFZHJHSNHYIRNE-UHFFFAOYSA-N,CC(C)C(C)(O)CC,-0.85
-E-258,3-ethyl-3-pentanol,"InChI=1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3",XKIRHOWVQWCYBT-UHFFFAOYSA-N,OC(CC)(CC)CC,-0.85
-E-259,1-octanol,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",KBPLFHHGFOOTCA-UHFFFAOYSA-N,OCCCCCCCC,-2.39
-E-260,2-octanol,"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",SJWFXCIHNDVPSH-UHFFFAOYSA-N,OC(CCCCCC)C,-2.09
-E-261,2-ethyl-1-hexanol,"InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3",YIWUKEYIRIRTPP-UHFFFAOYSA-N,OCC(CCCC)CC,-2.11
-E-262,3-methyl-2-heptanol,"InChI=1S/C8H18O/c1-4-5-6-7(2)8(3)9/h7-9H,4-6H2,1-3H3",SZERMVMTUUAYML-UHFFFAOYSA-N,CCCCC(C)C(C)O,-1.72
-E-263,"2,2,3-trimethyl-3-pentanol","InChI=1S/C8H18O/c1-6-8(5,9)7(2,3)4/h9H,6H2,1-5H3",KLIHWYNSISMOMR-UHFFFAOYSA-N,CC(C)(C)C(O)(C)CC,-1.27
-E-264,2-methyl-2-heptanol,"InChI=1S/C8H18O/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3",ACBMYYVZWKYLIP-UHFFFAOYSA-N,CC(O)(C)CCCCC,-1.72
-E-265,2-phenylethanol,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",WRMNZCZEMHIOCP-UHFFFAOYSA-N,c1ccccc1CCO,-0.74
-E-266,benzhydrol,"InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H",QILSFLSDHQAZET-UHFFFAOYSA-N,OC(c(cccc1)c1)c(cccc2)c2,-2.55
-E-267,dodecanol,"InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",LQZZUXJYWNFBMV-UHFFFAOYSA-N,OCCCCCCCCCCCC,-4.67
-E-268,3-phenylpropanol,"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,OCCCc(cccc1)c1,-1.38
-E-269,2-phenoxyethanol,"InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2",QCDWFXQBSFUVSP-UHFFFAOYSA-N,OCCOc(cccc1)c1,-0.71
-E-270,1-nonanol,"InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3",ZWRUINPWMLAQRD-UHFFFAOYSA-N,OCCCCCCCCC,-3.01
-E-271,4-methylcyclohexanol,"InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3",MQWCXKGKQLNYQG-UHFFFAOYSA-N,OC(CCC(C1)C)C1,-0.88
-E-272,"2,6-dichlorobenzyl_alcohol","InChI=1S/C7H6Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2",WKKHCCZLKYKUDN-UHFFFAOYSA-N,c1c(Cl)c(CO)c(Cl)cc1,-2.1
-E-273,phenol,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",ISWSIDIOOBJBQZ-UHFFFAOYSA-N,Oc(cccc1)c1,0
-E-274,"1,3-benzenediol","InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H",GHMLBKRAJCXXBS-UHFFFAOYSA-N,Oc(cccc1O)c1,0.81
-E-275,"1,4-benzenediol","InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H",QIGBRXMKCJKVMJ-UHFFFAOYSA-N,c1cc(O)ccc1O,-0.17
-E-276,o-cresol,"InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3",QWVGKYWNOKOFNN-UHFFFAOYSA-N,Oc(c(ccc1)C)c1,-0.62
-E-277,phenylmethanol,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",WVDDGKGOMKODPV-UHFFFAOYSA-N,c1ccccc1CO,-0.4
-E-278,p-cresol,"InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3",IWDCLRJOBJJRNH-UHFFFAOYSA-N,c1cc(C)ccc1O,-0.7
-E-279,salicyl_alcohol,"InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2",CQRYARSYNCAZFO-UHFFFAOYSA-N,OCc(c(O)ccc1)c1,-0.29
-E-280,1-phenylethanol,"InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3",WAPNOHKVXSQRPX-UHFFFAOYSA-N,OC(c1ccccc1)C,-0.92
-E-281,"2,4-dimethylphenol","InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3",KUFFULVDNCHOFZ-UHFFFAOYSA-N,c1cc(C)cc(C)c1O,-1.19
-E-282,"3,5-dimethylphenol","InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3",TUAMRELNJMMDMT-UHFFFAOYSA-N,c1c(C)cc(C)cc1O,-1.4
-E-283,p-t-butylphenol,"InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3",QHPQWRBYOIRBIT-UHFFFAOYSA-N,Oc(ccc(c1)C(C)(C)C)c1,-2.41
-E-284,p-phenylphenol,"InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H",YXVFYQXJAXKLAK-UHFFFAOYSA-N,Oc(ccc(c(cccc1)c1)c2)c2,-3.48
-E-285,diphenylolpropane,"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,Oc(ccc(c1)C(c(ccc(O)c2)c2)(C)C)c1,-2.82
-E-286,1-naphthol,"InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H",KJCVRFUGPWSIIH-UHFFFAOYSA-N,Oc(c(c(ccc1)cc2)c1)c2,-2.22
-E-287,"naphthalene-1,5-diol","InChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H",BOKGTLAJQHTOKE-UHFFFAOYSA-N,Oc(c(c(c(O)cc1)cc2)c1)c2,-2.92
-E-288,o-ethylphenol,"InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3",IXQGCWUGDFDQMF-UHFFFAOYSA-N,Oc(c(ccc1)CC)c1,-1.36
-E-289,2-phenylphenol,"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",LLEMOWNGBBNAJR-UHFFFAOYSA-N,Oc(c(c(cccc1)c1)ccc2)c2,-2.39
-E-290,propanal,"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3",NBBJYMSMWIIQGU-UHFFFAOYSA-N,CCC=O,0.58
-E-291,pentanal,"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3",HGBOYTHUEUWSSQ-UHFFFAOYSA-N,CCCCC=O,-0.85
-E-292,hexanal,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3",JARKCYVAAOWBJS-UHFFFAOYSA-N,O=CCCCCC,-1.3
-E-293,heptanal,"InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3",FXHGMKSSBGDXIY-UHFFFAOYSA-N,O=CCCCCCC,-1.7
-E-294,octanal,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3",NUJGJRNETVAIRJ-UHFFFAOYSA-N,O=CCCCCCCC,-2.36
-E-295,acrolein,"InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2",HGINCPLSRVDWNT-UHFFFAOYSA-N,O=CC=C,0.57
-E-296,2-butenal,"InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3",MLUCVPSAIODCQM-UHFFFAOYSA-N,O=CC=CC,0.32
-E-297,benzaldehyde,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,HUMNYLRZRPPJDN-UHFFFAOYSA-N,O=Cc(cccc1)c1,-1.19
-E-298,piperonal,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",SATCULPHIDQDRE-UHFFFAOYSA-N,O=Cc(ccc(OCO1)c12)c2,-1.63
-E-299,2-butanone,"InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3",ZWEHNKRNPOVVGH-UHFFFAOYSA-N,O=C(CC)C,0.52
-E-300,2-pentanone,"InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3",XNLICIUVMPYHGG-UHFFFAOYSA-N,O=C(CCC)C,-0.19
-E-301,2-hexanone,"InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3",QQZOPKMRPOGIEB-UHFFFAOYSA-N,O=C(CCCC)C,-0.8
-E-302,4-methyl-2-pentanone,"InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3",NTIZESTWPVYFNL-UHFFFAOYSA-N,O=C(CC(C)C)C,-1.42
-E-303,2-heptanone,"InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3",CATSNJVOTSVZJV-UHFFFAOYSA-N,O=C(CCCCC)C,-1.42
-E-304,4-heptanone,"InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3",HCFAJYNVAYBARA-UHFFFAOYSA-N,O=C(CCC)CCC,-1.3
-E-305,2-octanone,"InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3",ZPVFWPFBNIEHGJ-UHFFFAOYSA-N,O=C(CCCCCC)C,-2.05
-E-306,5-nonanone,"InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3",WSGCRAOTEDLMFQ-UHFFFAOYSA-N,O=C(CCCC)CCCC,-2.59
-E-307,1-hexen-3-one,"InChI=1S/C6H10O/c1-3-5-6(7)4-2/h4H,2-3,5H2,1H3",JTHNLKXLWOXOQK-UHFFFAOYSA-N,O=C(C=C)CCC,-0.83
-E-308,isophorone,"InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3",HJOVHMDZYOCNQW-UHFFFAOYSA-N,O=C(C=C(CC1(C)C)C)C1,-1.06
-E-309,5-methyl-2-hexanone,"InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3",FFWSICBKRCICMR-UHFFFAOYSA-N,O=C(CCC(C)C)C,-1.33
-E-310,propiophenone,"InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",KRIOVPPHQSLHCZ-UHFFFAOYSA-N,O=C(c(cccc1)c1)CC,-1.83
-E-311,"2,4-pentanedione","InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3",YRKCREAYFQTBPV-UHFFFAOYSA-N,CC(=O)CC(=O)C,0.22
-E-312,2-decanone,"InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3",ZAJNGDIORYACQU-UHFFFAOYSA-N,O=C(CCCCCCCC)C,-3.31
-E-313,progesterone,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3",RJKFOVLPORLFTN-UHFFFAOYSA-N,O=C(C(C(C(C(C(C(C(=CC(=O)C1)C2)(C1)C)C3)C2)C4)(C3)C)C4)C,-4.43
-E-314,acetophenone,"InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3",KWOLFJPFCHCOCG-UHFFFAOYSA-N,O=C(c(cccc1)c1)C,-1.28
-E-315,anthraquinone,InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H,RZVHIXYEVGDQDX-UHFFFAOYSA-N,O=C(c(c(C(=O)c1cccc2)ccc3)c3)c12,-5.19
-E-316,acetic_acid,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",QTBSBXVTEAMEQO-UHFFFAOYSA-N,CC(=O)O,1.22
-E-317,oxalic_acid,"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)",MUBZPKHOEPUJKR-UHFFFAOYSA-N,OC(=O)C(=O)O,0.38
-E-318,butyric_acid,"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",FERIUCNNQQJTOY-UHFFFAOYSA-N,CCCC(=O)O,-0.19
-E-319,glutaric_acid,"InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)",JFCQEDHGNNZCLN-UHFFFAOYSA-N,O=C(O)CCCC(=O)O,1
-E-320,caproic_acid,"InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)",FUZZWVXGSFPDMH-UHFFFAOYSA-N,O=C(O)CCCCC,-1.06
-E-321,adipic_acid,"InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)",WNLRTRBMVRJNCN-UHFFFAOYSA-N,O=C(O)CCCCC(=O)O,-0.82
-E-322,caprylic_acid,"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)",WWZKQHOCKIZLMA-UHFFFAOYSA-N,O=C(O)CCCCCCC,-2.3
-E-323,vulvic_acid,"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,O=C(O)CCCCCCCCCCC,-4.62
-E-324,methacrylic_acid,"InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)",CERQOIWHTDAKMF-UHFFFAOYSA-N,O=C(O)C(=C)C,0.01
-E-325,sorbic_acid,"InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)",WSWCOQWTEOXDQX-UHFFFAOYSA-N,O=C(O)C=CC=CC,-1.77
-E-326,benzoic_acid,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",WPYMKLBDIGXBTP-UHFFFAOYSA-N,O=C(O)c(cccc1)c1,-1.55
-E-327,p-toluic_acid,"InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)",LPNBBFKOUUSUDB-UHFFFAOYSA-N,c1cc(C)ccc1C(=O)O,-2.6
-E-328,o-toluic_acid,"InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)",ZWLPBLYKEWSWPD-UHFFFAOYSA-N,c1cccc(C)c1C(=O)O,-2.06
-E-329,phenylacetic_acid,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",WLJVXDMOQOGPHL-UHFFFAOYSA-N,O=C(O)Cc(cccc1)c1,-0.89
-E-330,o-phthalic_acid,"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,O=C(O)c(c(ccc1)C(=O)O)c1,-2.11
-E-331,palmitic_acid,"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,O=C(O)CCCCCCCCCCCCCCC,-6.81
-E-332,benzilic_acid,"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,O=C(O)C(O)(c(cccc1)c1)c(cccc2)c2,-2.21
-E-333,gibberellic_acid,"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,O=C(OC(C1C(C2(CC(O)(C3=C)CC4)C3)C(=O)O)(C24)C=CC5O)C15C,-1.84
-E-334,isobutyric_acid,"InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)",KQNPFQTWMSNSAP-UHFFFAOYSA-N,O=C(O)C(C)C,0.28
-E-335,2-ethylbutyric_acid,"InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",OXQGTIUCKGYOAA-UHFFFAOYSA-N,O=C(O)C(CC)CC,-0.81
-E-336,valproic_acid,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",NIJJYAXOARWZEE-UHFFFAOYSA-N,CCCC(CCC)C(O)=O,-1.86
-E-337,cyclohexanecarboxylic_acid,"InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)",NZNMSOFKMUBTKW-UHFFFAOYSA-N,O=C(O)C(CCCC1)C1,-1.45
-E-338,phenoxyacetic_acid,"InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",LCPDWSOZIOUXRV-UHFFFAOYSA-N,O=C(O)COc(cccc1)c1,-1.1
-E-339,undedecanoic_acid,"InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)",ZDPHROOEEOARMN-UHFFFAOYSA-N,O=C(O)CCCCCCCCCC,-3.55
-E-340,undecylic_acid,"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)",FRPZMMHWLSIFAZ-UHFFFAOYSA-N,O=C(O)CCCCCCCCC=C,-3.4
-E-341,hippuric_acid,"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,O=C(NCC(=O)O)c(cccc1)c1,-1.68
-E-342,thiophene-3-carboxylic_acid,"InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)",YNVOMSDITJMNET-UHFFFAOYSA-N,OC(=O)c1ccsc1,-1.47
-E-343,2-furoic_acid,"InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)",SMNDYUVBFMFKNZ-UHFFFAOYSA-N,O=C(O)C(OC=C1)=C1,-0.48
-E-344,methyl_formate,"InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3",TZIHFWKZFHZASV-UHFFFAOYSA-N,O=COC,0.58
-E-345,methyl_acetate,InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3,KXKVLQRXCPHEJC-UHFFFAOYSA-N,O=C(OC)C,0.52
-E-346,ethyl_acetate,"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",XEKOWRVHYACXOJ-UHFFFAOYSA-N,O=C(OCC)C,-0.04
-E-347,propyl_formate,"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3",KFNNIILCVOLYIR-UHFFFAOYSA-N,O=COCCC,-0.49
-E-348,methyl_propionate,"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3",RJUFJBKOKNCXHH-UHFFFAOYSA-N,O=C(OC)CC,-0.14
-E-349,propyl_acetate,"InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3",YKYONYBAUNKHLG-UHFFFAOYSA-N,O=C(OCCC)C,-0.72
-E-350,methyl_butyrate,"InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3",UUIQMZJEGPQKFD-UHFFFAOYSA-N,O=C(OC)CCC,-0.82
-E-351,isobutyl_formate,"InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3",AVMSWPWPYJVYKY-UHFFFAOYSA-N,O=COCC(C)C,-1.01
-E-352,isopropyl_acetate,"InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3",JMMWKPVZQRWMSS-UHFFFAOYSA-N,O=C(OC(C)C)C,-0.55
-E-353,butyl_acetate,"InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3",DKPFZGUDAPQIHT-UHFFFAOYSA-N,O=C(OCCCC)C,-1.24
-E-354,methyl_valerate,"InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3",HNBDRPTVWVGKBR-UHFFFAOYSA-N,O=C(OC)CCCC,-1.36
-E-355,isobutyl_acrylate,"InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3",CFVWNXQPGQOHRJ-UHFFFAOYSA-N,O=C(OCC(C)C)C=C,-1.21
-E-356,diethyl_malonate,"InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3",IYXGSMUGOJNHAZ-UHFFFAOYSA-N,O=C(OCC)CC(=O)OCC,-0.82
-E-357,amyl_acetate,"InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3",PGMYKACGEOXYJE-UHFFFAOYSA-N,O=C(OCCCCC)C,-1.89
-E-358,methyl_capronate,"InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3",NUKZAGXMHTUAFE-UHFFFAOYSA-N,O=C(OC)CCCCC,-2
-E-359,ethyl_valerate,"InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3",ICMAFTSLXCXHRK-UHFFFAOYSA-N,O=C(OCC)CCCC,-1.75
-E-360,isoamyl_acetate,"InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3",MLFHJEHSLIIPHL-UHFFFAOYSA-N,O=C(OCCC(C)C)C,-1.92
-E-361,hexyl_acetate,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",AOGQPLXWSUTHQB-UHFFFAOYSA-N,O=C(OCCCCCC)C,-2.46
-E-362,methyl_caprylate,"InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3",JGHZJRVDZXSNKQ-UHFFFAOYSA-N,O=C(OC)CCCCCCC,-3.39
-E-363,ethyl_heptylate,"InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3",TVQGDYNRXLTQAP-UHFFFAOYSA-N,O=C(OCC)CCCCCC,-2.71
-E-364,glyceryl_triacetate,"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,O=C(OCC(OC(=O)C)COC(=O)C)C,-0.6
-E-365,ethyl_caprylate,"InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3",YYZUSRORWSJGET-UHFFFAOYSA-N,O=C(OCC)CCCCCCC,-3.39
-E-366,ethyl_caprinate,"InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3",RGXWDWUGBIJHDO-UHFFFAOYSA-N,O=C(OCC)CCCCCCCCC,-4.1
-E-367,methyl_acrylate,"InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3",BAPJBEWLBFYGME-UHFFFAOYSA-N,O=C(OC)C=C,-0.22
-E-368,ethyl_acrylate,"InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3",JIGUQPWFLRLWPJ-UHFFFAOYSA-N,O=C(OCC)C=C,-0.74
-E-369,methyl_methacrylate,"InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3",VVQNEPGJFQJSBK-UHFFFAOYSA-N,O=C(OC)C(=C)C,-0.8
-E-370,ethyl_benzoate,"InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",MTZQAGJQAFMTAQ-UHFFFAOYSA-N,O=C(OCC)c(cccc1)c1,-2.32
-E-371,dimethyl_phthalate,"InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3",NIQCNGHVCWTJSM-UHFFFAOYSA-N,O=C(OC)c(c(ccc1)C(=O)OC)c1,-1.66
-E-372,propyl_benzoate,"InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",UDEWPOVQBGFNGE-UHFFFAOYSA-N,O=C(OCCC)c(cccc1)c1,-2.67
-E-373,diethyl_phthalate,"InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3",FLKPEMZONWLCSK-UHFFFAOYSA-N,O=C(OCC)c(c(ccc1)C(=O)OCC)c1,-2.35
-E-374,diisobutyl_phthalate,"InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3",MGWAVDBGNNKXQV-UHFFFAOYSA-N,O=C(OCC(C)C)c(c(ccc1)C(=O)OCC(C)C)c1,-4.66
-E-375,di-(2-ethylhexyl)-phthalate,"InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3",BJQHLKABXJIVAM-UHFFFAOYSA-N,O=C(OCC(CCCC)CC)c(c(ccc1)C(=O)OCC(CCCC)CC)c1,-6.96
-E-376,benzyl_butyl_phthalate,"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,O=C(OCc(cccc1)c1)c(c(ccc2)C(=O)OCCCC)c2,-5.64
-E-377,dimethoxymethane,"InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3",NKDDWNXOKDWJAK-UHFFFAOYSA-N,COCOC,0.48
-E-378,methyl_propyl_ether,"InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3",VNKYTQGIUYNRMY-UHFFFAOYSA-N,COCCC,-0.39
-E-379,methyl_isopropyl_ether,"InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3",RMGHERXMTMUMMV-UHFFFAOYSA-N,COC(C)C,-0.06
-E-380,methyl_butyl_ether,"InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3",CXBDYQVECUFKRK-UHFFFAOYSA-N,COCCCC,-0.99
-E-381,ethyl_propyl_ether,"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3",NVJUHMXYKCUMQA-UHFFFAOYSA-N,CCOCCC,-0.66
-E-382,ethyl_isopropyl_ether,"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3",XSJVWZAETSBXKU-UHFFFAOYSA-N,CCOC(C)C,-0.55
-E-383,tetrahydropyran,InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,DHXVGJBLRPWPCS-UHFFFAOYSA-N,O(CCCC1)C1,-0.03
-E-384,dipropyl_ether,"InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3",POLCUAVZOMRGSN-UHFFFAOYSA-N,CCCOCCC,-1.62
-E-385,diisopropyl_ether,"InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3",ZAFNJMIOTHYJRJ-UHFFFAOYSA-N,O(C(C)C)C(C)C,-1.1
-E-386,"1,2-diethoxyethane","InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3",LZDKZFUFMNSQCJ-UHFFFAOYSA-N,CCOCCOCC,-0.77
-E-387,"1,1-diethoxyethane","InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3",DHKHKXVYLBGOIT-UHFFFAOYSA-N,O(C(OCC)C)CC,-0.43
-E-388,dibutyl_ether,"InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3",DURPTKYDGMDSBL-UHFFFAOYSA-N,CCCCOCCCC,-1.85
-E-389,ethyl_vinyl_ether,"InChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3",FJKIXWOMBXYWOQ-UHFFFAOYSA-N,CCOC=C,-0.85
-E-390,diphenyl_ether,InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,USIUVYZYUHIAEV-UHFFFAOYSA-N,c1ccccc1Oc2ccccc2,-3.96
-E-391,dibenzo-p-dioxine,InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H,NFBOHOGPQUYFRF-UHFFFAOYSA-N,o2c1ccccc1oc3ccccc23,-5.31
-E-392,ditolyl_ether,"InChI=1S/C14H14O/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h3-10H,1-2H3",FDLFMPKQBNPIER-UHFFFAOYSA-N,Cc1cccc(c1)Oc2cccc(c2)C,-4.85
-E-393,propylene_oxide,"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3",GOOHAUXETOMSMM-UHFFFAOYSA-N,O(C1C)C1,-0.59
-E-394,tetrahydrofuran,InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,WYURNTSHIVDZCO-UHFFFAOYSA-N,O(CCC1)C1,0.56
-E-395,2-methyltetrahydrofuran,"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3",JWUJQDFVADABEY-UHFFFAOYSA-N,O(C(CC1)C)C1,0.11
-E-396,furan,InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,YLQBMQCUIZJEEH-UHFFFAOYSA-N,O1C=CC=C1,-0.82
-E-397,dibenzofuran,InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H,TXCDCPKCNAJMEE-UHFFFAOYSA-N,o(c(c(c1cccc2)ccc3)c3)c12,-4.6
-E-398,citric_acid,"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,O=C(O)C(O)(CC(=O)O)CC(=O)O,0.51
-E-399,glucose,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2",WQZGKKKJIJFFOK-UHFFFAOYSA-N,OCC1C(O)C(O)C(O)C(O)O1,0.74
-E-400,fructose,"InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2",LKDRXBCSQODPBY-UHFFFAOYSA-N,O1CC(O)C(O)C(O)C1(O)CO,0.64
-E-401,cortisone,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3",MFYSYFVPBJMHGN-UHFFFAOYSA-N,CC13CCC(=O)C=C1CCC4C2CCC(O)(C(=O)CO)C2(C)CC(=O)C34,-3.11
-E-402,dexamethasone,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3",UREBDLICKHMUKA-UHFFFAOYSA-N,C1(=O)C=C2CCC3C4CC(C)C(O)(C(=O)CO)C4(C)CC(O)C3(F)C2(C)C=C1,-3.64
-E-403,hydrocortisone_acetate,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3",ITRJWOMZKQRYTA-UHFFFAOYSA-N,CC(=O)OCC(=O)C3(O)CCC4C2CCC1=CC(=O)CCC1(C)C2C(=O)CC34C,-4.3
-E-404,prednisolone,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3",OIGNJSKKLXVSLS-UHFFFAOYSA-N,C1C2=CC(=O)C=CC2(C)C3C(O)CC4(C)C(O)(C(=O)CO)CCC4C3C1,-3.21
-E-405,spironolactone,"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,O=C(OC(C(C(C(C(C(C(=CC(=O)C1)C2)(C1)C)C3)C2SC(=O)C)C4)(C3)C)(C4)C5)C5,-4.28
-E-406,estrone,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3",DNXHEGUUPJUMQT-UHFFFAOYSA-N,O=C(C(C(C(C(c(c(cc(O)c1)C2)c1)C3)C2)C4)(C3)C)C4,-3.96
-E-407,deoxycorticosterone_acetate,"InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3",VPGRYOFKCNULNK-UHFFFAOYSA-N,C1C(=O)C=C2CCC3C4CCC(C(=O)COC(=O)C)C4(C)CCC3C2(C)C1,-4.63
-E-408,17-methyltestosterone,"InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3",GCKMFJBGXUYNAG-UHFFFAOYSA-N,O=C(C=C(C(C(C(C(C(C(O)(C)C1)(C2)C)C1)C3)C2)(C4)C)C3)C4,-3.99
-E-409,androstenedione,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3",AEMFNILZOJDQLW-UHFFFAOYSA-N,C1C(=O)C=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)C1,-3.69
-E-410,triamcinolone_diacetate,"InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3",XGMPVBXKDAHORN-UHFFFAOYSA-N,O=C1C=C2CCC3C4CC(OC(=O)C)C(O)(C(=O)COC(=O)C)C4(C)CC(O)C3(F)C2(C)C=C1,-4.13
-E-411,17-a-hydroxyprogesterone,"InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3",DBPWSSGDRRHUNT-UHFFFAOYSA-N,CC(=O)C3(O)CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C,-4.71
-E-412,triamcinolone_acetonide,"InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3",YNDXUCZADRHECN-UHFFFAOYSA-N,O=C1C=C2CCC3C4CC5OC(C)(C)OC5(C(=O)CO)C4(C)CC(O)C3(F)C2(C)C=C1,-4.32
-E-413,triamcinolone,"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3",GFNANZIMVAIWHM-UHFFFAOYSA-N,CC34CC(O)C1(F)C(CCC2=CC(=O)C=CC12C)C3CC(O)C4(O)C(=O)CO,-3.69
-E-414,betamethasone,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3",UREBDLICKHMUKA-UHFFFAOYSA-N,C1=CC(=O)C=C2CCC3C4CC(C)C(O)(C(=O)CO)C4(C)CC(O)C3(F)C12C,-3.77
-E-415,fluoromethasone,"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3",FAOZLTXFLGPHNG-UHFFFAOYSA-N,CC1CC2C3CCC(O)(C(=O)C)C3(C)CC(O)C2(F)C4(C)C=CC(=O)C=C14,-4.1
-E-416,dexamethasone-17-acetate,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3",AKUJBENLRBOFTD-UHFFFAOYSA-N,C1(=O)C=C2CCC3C4CC(C)C(O)(C(=O)COC(=O)C)C4(C)CC(O)C3(F)C2(C)C=C1,-4.9
-E-417,betamethasone-17-valerate,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3",SNHRLVCMMWUAJD-UHFFFAOYSA-N,C1=CC(=O)C=C2CCC3C4CC(C)C(OC(=O)CCCC)(C(=O)CO)C4(C)CC(O)C3(F)C12C,-4.71
-E-418,o-methoxyphenol,"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",LHGVFZTZFXWLCP-UHFFFAOYSA-N,O(c(c(O)ccc1)c1)C,-1.96
-E-419,p-hydroxybenzoic_acid,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",FJKROLUGYXJWQN-UHFFFAOYSA-N,O=C(O)c(ccc(O)c1)c1,-1.41
-E-420,p-hydroxybenzaldehyde,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",RGHHSNMVTDWUBI-UHFFFAOYSA-N,O=Cc(ccc(O)c1)c1,-0.96
-E-421,p-methoxybenzaldehyde,"InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",ZRSNZINYAWTAHE-UHFFFAOYSA-N,O=Cc(ccc(OC)c1)c1,-1.49
-E-422,salicin,"InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2",NGFMICBWJRZIBI-UHFFFAOYSA-N,O(C(C(O)C(O)C1O)CO)C1Oc(c(ccc2)CO)c2,-0.85
-E-423,phenyl_salicylate,"InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H",ZQBAKBUEJOMQEX-UHFFFAOYSA-N,O=C(Oc(cccc1)c1)c(c(O)ccc2)c2,-3.15
-E-424,"1,3-dichloro-2-propanol","InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2",DEWLEGDTCGBNGU-UHFFFAOYSA-N,ClCC(O)CCl,-0.11
-E-425,"1,1,1-trifluoro-2-propanol","InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3",GILIYJDBJZWGBG-UHFFFAOYSA-N,FC(F)(F)C(O)C,0.3
-E-426,4-chlorophenol,"InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H",WXNZTHHGJRFXKQ-UHFFFAOYSA-N,Oc(ccc(c1)Cl)c1,-0.7
-E-427,3-chlorophenol,"InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H",HORNXRXVQWOLPJ-UHFFFAOYSA-N,c1ccc(Cl)cc1O,-0.7
-E-428,4-bromophenol,"InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H",GZFGOTFRPZRKDS-UHFFFAOYSA-N,Oc(ccc(c1)Br)c1,-1.09
-E-429,"2,4-dichlorophenol","InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",HFZWRUODUSTPEG-UHFFFAOYSA-N,c1cc(Cl)cc(Cl)c1O,-1.55
-E-430,"2,4,5-trichlorophenol","InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H",LHJGJYXLEPZJPM-UHFFFAOYSA-N,c1c(Cl)c(Cl)cc(Cl)c1O,-2.21
-E-431,pentachlorophenol,InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,IZUPBVBPLAPZRR-UHFFFAOYSA-N,Oc(c(c(c(c1Cl)Cl)Cl)Cl)c1Cl,-4.28
-E-432,3-methyl-4-chlorophenol,"InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3",CFKMVGJGLGKFKI-UHFFFAOYSA-N,c1cc(Cl)c(C)cc1O,-1.57
-E-433,chloroacetic_acid,"InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)",FOCAUTSVDIKZOP-UHFFFAOYSA-N,O=C(O)CCl,0.93
-E-434,o-chlorobenzoic_acid,"InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)",IKCLCGXPQILATA-UHFFFAOYSA-N,O=C(O)c(c(ccc1)Cl)c1,-1.89
-E-435,m-chlorobenzoic_acid,"InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)",LULAYUGMBFYYEX-UHFFFAOYSA-N,O=C(O)c(cccc1Cl)c1,-2.59
-E-436,bis-(2-chloroethyl)_ether,InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2,ZNSMNVMLTJELDZ-UHFFFAOYSA-N,ClCCOCCCl,-1.12
-E-437,methoxychlor,"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,COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl,-6.89
-E-438,dicamba,"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,COc1c(Cl)ccc(Cl)c1C(O)=O,-1.7
-E-439,triethylamine,"InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3",ZMANZCXQSJIPKH-UHFFFAOYSA-N,CCN(CC)CC,-0.14
-E-440,dipropylamine,"InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3",WEHWNAOGRSTTBQ-UHFFFAOYSA-N,CCCNCCC,-0.46
-E-441,heptylamine,"InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3",WJYIASZWHGOTOU-UHFFFAOYSA-N,CCCCCCCN,-1.85
-E-442,trimethylamine,InChI=1S/C3H9N/c1-4(2)3/h1-3H3,GETQZCLCWQTVFV-UHFFFAOYSA-N,CN(C)C,0.84
-E-443,tripropylamine,"InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3",YFTHZRPMJXBUME-UHFFFAOYSA-N,CCCN(CCC)CCC,-2.28
-E-444,2-ethylhexylamine,"InChI=1S/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3",LTHNHFOGQMKPOV-UHFFFAOYSA-N,NCC(CCCC)CC,-1.71
-E-445,n-dibutylamine,"InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3",JQVDAXLFBXTEQA-UHFFFAOYSA-N,CCCCNCCCC,-1.44
-E-446,aniline,"InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2",PAYRUJLWNCNPSJ-UHFFFAOYSA-N,c1ccccc1N,-0.41
-E-447,"1,2-benzenediamine","InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2",GEYOCULIXLDCMW-UHFFFAOYSA-N,c1cccc(N)c1N,-0.42
-E-448,"1,4-benzenediamine","InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2",CBCKQZAAMUWICA-UHFFFAOYSA-N,c1cc(N)ccc1N,-0.38
-E-449,2-methylaniline,"InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3",RNVCVTLRINQCPJ-UHFFFAOYSA-N,c1cccc(C)c1N,-0.85
-E-450,4-methylaniline,"InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3",RZXMPPFPUUCRFN-UHFFFAOYSA-N,c1cc(C)ccc1N,-1.21
-E-451,3-methylaniline,"InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3",JJYPMNFTHPTTDI-UHFFFAOYSA-N,c1ccc(C)cc1N,-0.85
-E-452,benzylamine,"InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2",WGQKYBSKWIADBV-UHFFFAOYSA-N,c1ccccc1CN,-1.53
-E-453,N-ethylaniline,"InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3",OJGMBLNIHDZDGS-UHFFFAOYSA-N,c1ccccc1NCC,-1.7
-E-454,"N,N-diethylaniline","InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",GGSUCNLOZRCGPQ-UHFFFAOYSA-N,c1ccccc1N(CC)CC,-3.03
-E-455,benzidine,"InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2",HFACYLZERDEVSX-UHFFFAOYSA-N,Nc(ccc(c(ccc(N)c1)c1)c2)c2,-2.7
-E-456,diphenylamine,"InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H",DMBHHRLKUKUOEG-UHFFFAOYSA-N,c1ccccc1Nc2ccccc2,-3.51
-E-457,di-(p-aminophenyl)methane,"InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2",YBRVSVVVWCFQMG-UHFFFAOYSA-N,Nc(ccc(c1)Cc(ccc(N)c2)c2)c1,-2.3
-E-458,phenyl_hydrazine,"InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2",HKOOXMFOFWEVGF-UHFFFAOYSA-N,N(N)c(cccc1)c1,0.07
-E-459,pyridine,InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,JUJWROOIHBZHMG-UHFFFAOYSA-N,c1ccccn1,0.76
-E-460,"2,3-dimethylpyridine","InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3",HPYNZHMRTTWQTB-UHFFFAOYSA-N,c1ccc(C)c(C)n1,0.38
-E-461,"2,4-dimethylpyridine","InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3",JYYNAJVZFGKDEQ-UHFFFAOYSA-N,c1cc(C)cc(C)n1,0.38
-E-462,"2,6-dimethylpyridine","InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3",OISVCGZHLKNMSJ-UHFFFAOYSA-N,Cc1cccc(C)n1,0.45
-E-463,"3,4-dimethylpyridine","InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3",NURQLCJSMXZBPC-UHFFFAOYSA-N,c1cc(C)c(C)cn1,0.36
-E-464,"3,5-dimethylpyridine","InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3",HWWYDZCSSYKIAD-UHFFFAOYSA-N,c1c(C)cc(C)cn1,0.38
-E-465,quinoline,InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H,SMWDFEZZVXVKRB-UHFFFAOYSA-N,n(c(c(ccc1)cc2)c1)c2,-1.3
-E-466,"2,2'-bipyridine",InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H,ROFVEXUMMXZLPA-UHFFFAOYSA-N,n(c(ccc1)c(nccc2)c2)c1,-1.42
-E-467,"4,4'-bipyridine",InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H,MWVTWFVJZLCBMC-UHFFFAOYSA-N,n(ccc(c1)c(ccnc2)c2)c1,-1.54
-E-468,nicotine,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,n(cccc1C(N(CC2)C)C2)c1,0.79
-E-469,isoniazid,"InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)",QRXWMOHMRWLFEY-UHFFFAOYSA-N,NNC(=O)c1ccncc1,0.01
-E-470,nicotinamide,"InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)",DFPAKSUCGFBDDF-UHFFFAOYSA-N,O=C(N)c(cccn1)c1,0.61
-E-471,3-pyridinemethanol,"InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2",MVQVNTPHUGQQHK-UHFFFAOYSA-N,n(cccc1CO)c1,0.96
-E-472,2-pyrazinecarboxamide,"InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)",IPEHBUMCGVEMRF-UHFFFAOYSA-N,O=C(N)c(nccn1)c1,-0.91
-E-473,pyrimidine,InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,CZPWVGJYEJSRLH-UHFFFAOYSA-N,n(cccn1)c1,1.1
-E-474,benzo(f)quinoline,InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H,HCAUQPZEWLULFJ-UHFFFAOYSA-N,c1ccc2c(c1)ccc3ncccc23,-3.36
-E-475,benzothiazole,InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,IOJUPLGTWVMSFF-UHFFFAOYSA-N,c1ccc2ncsc2c1,-1.5
-E-476,thiophene,InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H,YTPLMLYBLZKORZ-UHFFFAOYSA-N,s1cccc1,-1.45
-E-477,biquinoline,InChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18/h1-12H,WPTCSQBWLUUYDV-UHFFFAOYSA-N,n(c(c(ccc1)cc2)c1)c2c(nc(c(ccc3)c4)c3)c4,-5.4
-E-478,8-quinolinol,"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H",MCJGNVYPOGVAJF-UHFFFAOYSA-N,n(c(c(ccc1)cc2)c1O)c2,-2.42
-E-479,benzoxazole,InChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,BCMCBBGGLRIHSE-UHFFFAOYSA-N,o(c(c(n1)ccc2)c2)c1,-1.16
-E-480,pyridazine,InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,PBMFSQRYOILNGV-UHFFFAOYSA-N,n(nccc1)c1,1.1
-E-481,5-hydroxyquinoline,"InChI=1S/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H",GYESAYHWISMZOK-UHFFFAOYSA-N,c1cc2ncccc2c(O)c1,-2.54
-E-482,3-methylthiophene,"InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3",QENGPZGAWFQWCZ-UHFFFAOYSA-N,C1(C)=CSC=C1,-2.39
-E-483,2-ethylthiophene,"InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3",JCCCMAAJYSNBPR-UHFFFAOYSA-N,C1=CSC(CC)=C1,-2.59
-E-484,3-hydroxy-5-methylisoxazole,"InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)",KGVPNLBXJKTABS-UHFFFAOYSA-N,Cc1cc(O)no1,-0.07
-E-485,phenylbutazone,"InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3",VYMDGNCVAMGZFE-UHFFFAOYSA-N,O=C(N(N(C1=O)c(cccc2)c2)c(cccc3)c3)C1CCCC,-3.81
-E-486,cocaine,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3",ZPUCINDJVBIVPJ-UHFFFAOYSA-N,COC(=O)C1C(CC2CCC1N2C)OC(=O)c3ccccc3,-2.23
-E-487,imipramine,"InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3",BCGWQEUPMDMJNV-UHFFFAOYSA-N,CN(C)CCCN2c1ccccc1CCc3ccccc23,-4.19
-E-488,chlorpromazine,"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,CN(C)CCCN2c1ccccc1Sc3ccc(Cl)cc23,-5.01
-E-489,cyclobarbital,"InChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)",WTYGAUXICFETTC-UHFFFAOYSA-N,CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2,-2.17
-E-490,allobarbital,"InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)",FDQGNLOWMMVRQL-UHFFFAOYSA-N,C=CCC1(CC=C)C(=O)NC(=O)NC1=O,-2.06
-E-491,pencillamine,"InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)",VVNCNSJFMMFHPL-UHFFFAOYSA-N,CC(C)(S)C(N)C(O)=O,-0.13
-E-492,haloperidol,"InChI=1S/C21H23ClFNO2/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",LNEPOXFFQSENCJ-UHFFFAOYSA-N,OC2(CCN(CCCC(=O)c1ccc(F)cc1)CC2)c3ccc(Cl)cc3,-4.43
-E-493,hexabarital,"InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)",UYXAWHWODHRRMR-UHFFFAOYSA-N,CN2C(=O)NC(=O)C(C)(C1=CCCCC1)C2=O,-2.74
-E-494,Diethylstilbestrol,"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,Oc(ccc(C(=C(c(ccc(O)c1)c1)CC)CC)c2)c2,-4.35
-E-495,chloramphenicol,"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,O=C(NC(C(O)c(ccc(N(=O)=O)c1)c1)CO)C(Cl)Cl,-2.11
-E-496,strychnine,"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=C(N(c(c(C1(C(N(C2)CC(C3C4C5OC6)=C6)C3)C2)ccc7)c7)C14)C5,-3.32
-E-497,barbital,"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,CCC1(CC)C(=O)NC(=O)NC1=O,-1.39
-E-498,meprobamate,"InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)",NPPQSCRMBWNHMW-UHFFFAOYSA-N,O=C(OCC(CCC)(C)COC(=O)N)N,-1.67
-E-499,sulfamethazine,"InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",ASWVTGNCAZCNNR-UHFFFAOYSA-N,O=S(=O)(Nc(nc(cc1C)C)n1)c(ccc(N)c2)c2,-2.27
-E-500,aminopyrine,"InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3",RMMXTBMQSGEXHJ-UHFFFAOYSA-N,c1ccccc1N2C(=O)C(N(C)C)=C(C)N2C,-0.63
-E-501,promazine,"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,c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1,-4.3
-E-502,hydrochlorthiazide,"InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)",JZUFKLXOESDKRF-UHFFFAOYSA-N,O=S(=O)(N)c(c(cc(NCNS1(=O)=O)c12)Cl)c2,-2.62
-E-503,chlorothiazide,"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,NS(=O)(=O)c1c(Cl)cc2N=CNS(=O)(=O)c2c1,-3.05
-E-504,procaine,"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,O=C(OCCN(CC)CC)c(ccc(N)c1)c1,-1.4
-E-505,promethazine,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3",PWWVAXIEGOYWEE-UHFFFAOYSA-N,c1ccc2Sc3ccccc3N(CC(C)N(C)C)c2c1,-4.26
-E-506,niridazole,"InChI=1S/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)",RDXLYGJSWZYTFJ-UHFFFAOYSA-N,O=C1NCCN1c2ncc(s2)N(=O)=O,-3.22
-E-507,phenacetin,"InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)",CPJSUEIXXCENMM-UHFFFAOYSA-N,CC(=O)Nc1ccc(OCC)cc1,-2.37
-E-508,sulfanilamide,"InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",FDDDEECHVMSUSB-UHFFFAOYSA-N,O=S(=O)(N)c(ccc(N)c1)c1,-1.36
-E-509,fluphenazine,"InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2",PLDUPXSUYLZYBN-UHFFFAOYSA-N,OCCN4CCN(CCCN2c1ccccc1Sc3ccc(cc23)C(F)(F)F)CC4,-4.15
-E-510,tubercidin,"InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)",HDZZVAMISRMYHH-UHFFFAOYSA-N,c12ncnc(N)c1ccn2C3OC(CO)C(O)C3(O),-1.95
-E-511,sulfathiozole,"InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)",JNMRHUJNCSQMMB-UHFFFAOYSA-N,c1cc(N)ccc1S(=O)(=O)Nc2nccs2,-2.43
-E-512,pentobarbital,"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,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,-2.52
-E-513,aprobarbital,"InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)",UORJNBVJVRLXMQ-UHFFFAOYSA-N,CC(C)C1(CC=C)C(=O)NC(=O)NC1=O,-1.71
-E-514,thiamylal,"InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",XLOMZPUITCYLMJ-UHFFFAOYSA-N,O=C1NC(=S)NC(=O)C1(CC=C)C(C)CCC,-3.46
-E-515,5-butyl-5-ethylbarbituric_acid,"InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)",STDBAQMTJLUMFW-UHFFFAOYSA-N,CCCCC1(CC)C(=O)NC(=O)NC1=O,-1.64
-E-516,carbromal,"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,O=C(NC(=O)C(Br)(CC)CC)N,-2.68
-E-517,phthalimide,"InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)",XKJCHHZQLQNZHY-UHFFFAOYSA-N,O=C(NC(=O)c1cccc2)c12,-2.61
-E-518,coumarin,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,c1cc2OC(=O)C=Cc2cc1,-1.89
-E-519,sulfaethidole,"InChI=1S/C10H12N4O2S2/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8/h3-6H,2,11H2,1H3,(H,13,14)",SVYBEBLNQGDRHF-UHFFFAOYSA-N,CCc2nnc(NS(=O)(=O)c1ccc(N)cc1)s2,-1.94
-E-520,eugenol,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",RRAFCDWBNXTKKO-UHFFFAOYSA-N,O(c(c(O)ccc1CC=C)c1)C,-1.56
-E-521,phenallymal,"InChI=1S/C13H12N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h2-7H,1,8H2,(H2,14,15,16,17,18)",WOIGZSBYKGQJGL-UHFFFAOYSA-N,c1ccccc1C2(CC=C)C(=O)NC(=O)NC2=O,-2.18
-E-522,trifluoperazine,"InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3",ZEWQUBUPAILYHI-UHFFFAOYSA-N,CN4CCN(CCCN2c1ccccc1Sc3ccc(cc23)C(F)(F)F)CC4,-4.52
-E-523,sulfadimethoxine,"InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",ZZORFUFYDOWNEF-UHFFFAOYSA-N,c1cc(N)ccc1S(=O)(=O)Nc2nc(OC)nc(OC)c2,-2.96
-E-524,primidone,"InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)",DQMZLTXERSFNPB-UHFFFAOYSA-N,CCC1(C(=O)NCNC1=O)c2ccccc2,-2.64
-E-525,oxyphenbutazone,"InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3",HFHZKZSRXITVMK-UHFFFAOYSA-N,CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3,-3.73
-E-526,trichlormethiazide,"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,O=S(=O)(N)c(c(cc(NC(NS1(=O)=O)C(Cl)Cl)c12)Cl)c2,-2.68
-E-527,lidocaine,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)",NNJVILVZKWQKPM-UHFFFAOYSA-N,O=C(Nc(c(ccc1)C)c1C)CN(CC)CC,-1.76
-E-528,sulfanilacetamide,"InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",SKIVFJLNDNKQPD-UHFFFAOYSA-N,O=C(NS(=O)(=O)c(ccc(N)c1)c1)C,-1.23
-E-529,erythritol,"InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2",UNXHWFMMPAWVPI-UHFFFAOYSA-N,OCC(O)C(O)CO,0.7
-E-530,ephedrine,"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,OC(c(cccc1)c1)C(NC)C,-0.42
-E-531,carbutamide,"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,O=C(NCCCC)NS(=O)(=O)c(ccc(N)c1)c1,-2.18
-E-532,metoclopramide,"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,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,-3.18
-E-533,metronidazole,"InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3",VAOCPAMSLUNLGC-UHFFFAOYSA-N,Cc1ncc(N(=O)=O)n1CCO,-1.26
-E-534,ethoxyzolamide,"InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)",OUZWUKMCLIBBOG-UHFFFAOYSA-N,CCOc2ccc1nc(sc1c2)S(N)(=O)=O,-3.81
-E-535,heptabarbital,"InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)",PAZQYDJGLKSCSI-UHFFFAOYSA-N,CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2,-3
-E-536,eriodictyol,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",SBHXYTNGIZCORC-UHFFFAOYSA-N,Oc1cc(O)c2C(=O)CC(c3cc(O)c(O)cc3)Oc2c1,-3.62
-E-537,sulfaperine,"InChI=1S/C11H12N4O2S/c1-8-6-13-11(14-7-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",DZQVFHSCSRACSX-UHFFFAOYSA-N,c1cc(N)ccc1S(=O)(=O)Nc2ncc(C)cn2,-2.82
-E-538,sulfameter,"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,c1cc(N)ccc1S(=O)(=O)Nc2ncc(OC)cn2,-2.58
-E-539,tolcyclamide,"InChI=1S/C14H20N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-14(17)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,15,16,17)",RIGBPMDIGYBTBJ-UHFFFAOYSA-N,c1cc(C)ccc1S(=O)(=O)NC(=O)NC2CCCCC2,-4.21
-E-540,trimethoprim,"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,COc2cc(Cc1cnc(N)nc1N)cc(OC)c2OC,-2.86
-E-541,lorazepam,"InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)",DIWRORZWFLOCLC-UHFFFAOYSA-N,OC3N=C(c1ccccc1Cl)c2cc(Cl)ccc2NC3=O,-3.6
-E-542,tolazamide,"InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)",OUDSBRTVNLOZBN-UHFFFAOYSA-N,Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2,-3.68
-E-543,nitrapyrin,"InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H",DCUJJWWUNKIJPH-UHFFFAOYSA-N,n(c(ccc1)C(Cl)(Cl)Cl)c1Cl,-3.76
-E-544,kasugamycin,"InChI=1S/C14H21N3O3/c1-14(2,3)16-13(19)20-11-8-6-7-10(9-11)15-12(18)17(4)5/h6-9H,1-5H3,(H,15,18)(H,16,19)",OWNAXTAAAQTBSP-UHFFFAOYSA-N,CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1,-2.93
-E-545,flurbiprofen,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)",SYTBZMRGLBWNTM-UHFFFAOYSA-N,c1ccccc1c2c(F)cc(C(C)C(=O)O)cc2,-4.49
-E-546,ditalimfos,"InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3",MTBZIGHNGSTDJV-UHFFFAOYSA-N,CCOP(=S)(OCC)N2C(=O)c1ccccc1C2=O,-3.35
-E-547,carboxin,"InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)",GYSSRZJIHXQEHQ-UHFFFAOYSA-N,CC1=C(SCCO1)C(=O)Nc2ccccc2,-3.14
-E-548,chlordimenform,"InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3",STUSTWKEFDQFFZ-UHFFFAOYSA-N,CN(C)C=Nc1ccc(Cl)cc1C,-2.86
-E-549,nifuroxime,"InChI=1S/C5H4N2O4/c8-6-3-4-1-2-5(11-4)7(9)10/h1-3,8H",PTBKFATYSVLSSD-UHFFFAOYSA-N,o1c(N(=O)(=O))ccc1C=NO,-2.19
-E-550,dioxacarb,"InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)",SDKQRNRRDYRQKY-UHFFFAOYSA-N,CNC(=O)Oc1ccccc1C2OCCO2,-1.57
-E-551,ibuprofen,"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,O=C(O)C(c(ccc(c1)CC(C)C)c1)C,-3.99
-E-552,naprosyn,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)",CMWTZPSULFXXJA-UHFFFAOYSA-N,COc2ccc1cc(ccc1c2)C(C)C(O)=O,-4.16
-E-553,benznidazole,"InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)",CULUWZNBISUWAS-UHFFFAOYSA-N,c1ccccc1CNC(=O)CN2C(N(=O)=O)=NC=C2,-2.81
-E-554,fenbufen,"InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)",ZPAKPRAICRBAOD-UHFFFAOYSA-N,c1ccccc1c2ccc(C(=O)CCC(=O)O)cc2,-5.06
-E-555,minoxidil,"InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)",ZFMITUMMTDLWHR-UHFFFAOYSA-N,C1CCCCN1c2nc(N)n(=O)c(N)c2,-1.98
-E-556,tetroxoprim,"InChI=1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)",WSWJIZXMAUYHOE-UHFFFAOYSA-N,n1c(N)nc(N)c(Cc2cc(OC)c(OCCOC)c(OC)c2)c1,-2.1
-E-557,sufentanil,"InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3",GGCSSNBKKAUURC-UHFFFAOYSA-N,C1CN(CCC2=CC=CS2)CCC1(COC)N(C(=O)CC)c3ccccc3,-3.71
-E-558,flutriafol,"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,n1cncn1CC(O)(c2ccc(F)cc2)c3ccccc3F,-3.37
-E-559,5-fluorouracil,"InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",GHASVSINZRGABV-UHFFFAOYSA-N,N1C(=O)NC(=O)C(F)=C1,-1.07
-E-560,methyl_hydrazine,"InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3",HDZGCSFEDULWCS-UHFFFAOYSA-N,CNN,1.34
-E-561,5-methyluracil,"InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)",RWQNBRDOKXIBIV-UHFFFAOYSA-N,C1=C(C)C(=O)NC(=O)N1,-1.52
-E-562,uracil,"InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",ISAKRJDGNUQOIC-UHFFFAOYSA-N,C1=CC(=O)NC(=O)N1,-1.48
-E-563,2-ethyl-2-phenylgluterimide,"InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)",JMBQKKAJIKAWKF-UHFFFAOYSA-N,CCC1(CCC(=O)NC1=O)c2ccccc2,-2.34
-E-564,N-nitrosopiperidine,InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2,UWSDONTXWQOZFN-UHFFFAOYSA-N,O=NN(CCCC1)C1,-0.17
-E-565,azobenzene,InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H,DMLAVOWQYNRWNQ-UHFFFAOYSA-N,N(=Nc(cccc1)c1)c(cccc2)c2,-4.45
-E-566,N-methylmorpholine,"InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3",SJRJJKPEHAURKC-UHFFFAOYSA-N,O(CCN(C1)C)C1,1
-E-567,piperidine,"InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2",NQRYJNQNLNOLGT-UHFFFAOYSA-N,N(CCCC1)C1,1.07
-E-568,morpholine,"InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2",YNAVUWVOSKDBBP-UHFFFAOYSA-N,O(CCNC1)C1,1.06
-E-569,pyrrolidine,"InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2",RWRDLPDLKQPQOW-UHFFFAOYSA-N,N(CCC1)C1,1.15
-E-570,2-cyanoguanidine,"InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)",QGBSISYHAICWAH-UHFFFAOYSA-N,NC(=NC(#N))N,-0.31
-E-571,1-methyluracil,"InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)",XBCXJKGHPABGSD-UHFFFAOYSA-N,C1=CC(=O)NC(=O)N1C,-0.8
-E-572,pyrrolidone,"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",HNJBEVLQSNELDL-UHFFFAOYSA-N,O=C(NCC1)C1,1.07
-E-573,N-methylpiperidine,"InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3",PAMIQIKDUOTOBW-UHFFFAOYSA-N,N(CCCC1)(C1)C,0.23
-E-574,N-methyl-2-pyridone,"InChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3",DVVGIUUJYPYENY-UHFFFAOYSA-N,CN1C(=O)C=CC=C1,0.96
-E-575,acrylonitrile,"InChI=1S/C3H3N/c1-2-3-4/h2H,1H2",NLHHRLWOUZZQLW-UHFFFAOYSA-N,C=CC#N,0.15
-E-576,benzonitrile,InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H,JFDZBHWFFUWGJE-UHFFFAOYSA-N,c1ccccc1C#N,-1
-E-577,phthalonitrile,InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,XQZYPMVTSDWCCE-UHFFFAOYSA-N,N#Cc(c(C#N)ccc1)c1,-2.38
-E-578,hydrazobenzene,"InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H",YBQZXXMEJHZYMB-UHFFFAOYSA-N,N(Nc(cccc1)c1)c(cccc2)c2,-2.92
-E-579,4-aminophenol,"InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2",PLIKAWJENQZMHA-UHFFFAOYSA-N,Oc(ccc(N)c1)c1,-0.8
-E-580,2-aminobenzoic_acid,"InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)",RWZYAGGXGHYGMB-UHFFFAOYSA-N,c1cccc(N)c1C(=O)O,-1.52
-E-581,4-aminobenzoic_acid,"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)",ALYNCZNDIQEVRV-UHFFFAOYSA-N,O=C(O)c(ccc(N)c1)c1,-0.4
-E-582,O-methyl_carbamate,"InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)",GTCAXTIRRLKXRU-UHFFFAOYSA-N,O=C(OC)N,0.97
-E-583,O-butyl_carbamate,"InChI=1S/C5H11NO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3,(H2,6,7)",SKKTUOZKZKCGTB-UHFFFAOYSA-N,O=C(OCCCC)N,-0.66
-E-584,O-isobutyl_carbamate,"InChI=1S/C5H11NO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3,(H2,6,7)",BRUZQRBVNRKLJG-UHFFFAOYSA-N,O=C(OCC(C)C)N,-0.3
-E-585,O-t-butyl_carbamate,"InChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)",LFKDJXLFVYVEFG-UHFFFAOYSA-N,O=C(OC(C)(C)C)N,0.1
-E-586,O-benzyl_carbamate,"InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)",PUJDIJCNWFYVJX-UHFFFAOYSA-N,O=C(OCc1ccccc1)N,-0.35
-E-587,urea,"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",XSQUKJJJFZCRTK-UHFFFAOYSA-N,NC(=O)N,0.96
-E-588,hydroxyurea,"InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)",VSNHCAURESNICA-UHFFFAOYSA-N,O=C(N)NO,1.12
-E-589,1-nitroso-1-methylurea,"InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)",ZRKWMRDKSOPRRS-UHFFFAOYSA-N,O=C(N)N(C)N=O,-0.85
-E-590,1-nitroso-1-ethylurea,"InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)",FUSGACRLAFQQRL-UHFFFAOYSA-N,O=C(N)N(CC)N=O,-0.96
-E-591,tetramethylurea,InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3,AVQQQNCBBIEMEU-UHFFFAOYSA-N,O=C(N(C)C)N(C)C,0.94
-E-592,benzylurea,"InChI=1S/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)",RJNJWHFSKNJCTB-UHFFFAOYSA-N,NC(=O)NCc1ccccc1,-0.95
-E-593,acetamide,"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)",DLFVBJFMPXGRIB-UHFFFAOYSA-N,CC(=O)N,1.58
-E-594,"N,N-dimethylacetamide",InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3,FXHOOIRPVKKKFG-UHFFFAOYSA-N,CC(=O)N(C)C,1.11
-E-595,benzamide,"InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)",KXDAEFPNCMNJSK-UHFFFAOYSA-N,O=C(N)c(cccc1)c1,-0.96
-E-596,phthalamide,"InChI=1S/C8H8N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)",NAYYNDKKHOIIOD-UHFFFAOYSA-N,O=C(N)c(c(ccc1)C(=O)N)c1,-2.92
-E-597,acetanilide,"InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)",FZERHIULMFGESH-UHFFFAOYSA-N,O=C(Nc(cccc1)c1)C,-1.33
-E-598,fenuron,"InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)",XXOYNJXVWVNOOJ-UHFFFAOYSA-N,O=C(N(C)C)Nc(cccc1)c1,-1.6
-E-599,propoxur,"InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)",ISRUGXGCCGIOQO-UHFFFAOYSA-N,CNC(=O)Oc1ccccc1OC(C)C,-2.05
-E-600,morphine,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3",BQJCRHHNABKAKU-UHFFFAOYSA-N,C1=CC2C(N(C)C5)Cc3ccc(O)c4c3C2(C5)C(O4)C1O,-3.28
-E-601,codeine,"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,COc1ccc2CC5C3C=CC(O)C4Oc1c2C34CCN5C,-1.52
-E-602,1-nitropropane,"InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3",JSZOAYXJRCEYSX-UHFFFAOYSA-N,CCCN(=O)=O,-0.8
-E-603,nitrobenzene,InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H,LQNUZADURLCDLV-UHFFFAOYSA-N,O=N(=O)c(cccc1)c1,-1.8
-E-604,2-nitrotoluene,"InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3",PLAZTCDQAHEYBI-UHFFFAOYSA-N,O=N(=O)c(c(ccc1)C)c1,-2.33
-E-605,3-nitrotoluene,"InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3",QZYHIOPPLUPUJF-UHFFFAOYSA-N,O=N(=O)c(cccc1C)c1,-2.44
-E-606,4-nitrotoluene,"InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3",ZPTVNYMJQHSSEA-UHFFFAOYSA-N,O=N(=O)c(ccc(c1)C)c1,-2.49
-E-607,4-nitrophenol,"InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H",BTJIUGUIPKRLHP-UHFFFAOYSA-N,O=N(=O)c(ccc(O)c1)c1,-0.74
-E-608,2-nitrophenol,"InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H",IQUPABOKLQSFBK-UHFFFAOYSA-N,O=N(=O)c(c(O)ccc1)c1,-1.74
-E-609,3-nitrophenol,"InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H",RTZZCYNQPHTPPL-UHFFFAOYSA-N,O=N(=O)c(cccc1O)c1,-1.01
-E-610,dinoseb,"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,O=N(=O)c(cc(N(=O)=O)c(O)c1C(CC)C)c1,-3.38
-E-611,3-nitrobenzoic_acid,"InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)",AFPHTEQTJZKQAQ-UHFFFAOYSA-N,O=C(O)c(cccc1N(=O)=O)c1,-1.68
-E-612,2-nitroanisole,"InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3",CFBYEGUGFPZCNF-UHFFFAOYSA-N,O=N(=O)c(c(OC)ccc1)c1,-1.96
-E-613,4-nitroanisole,"InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3",BNUHAJGCKIQFGE-UHFFFAOYSA-N,O=N(=O)c(ccc(OC)c1)c1,-2.41
-E-614,3-nitroaniline,"InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2",XJCVRTZCHMZPBD-UHFFFAOYSA-N,O=N(=O)c(cccc1N)c1,-2.19
-E-615,4-nitroaniline,"InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2",TYMLOMAKGOJONV-UHFFFAOYSA-N,O=N(=O)c(ccc(N)c1)c1,-2.37
-E-616,quanidinoacetic_acid,"InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)",BPMFZUMJYQTVII-UHFFFAOYSA-N,NC(=N)NCC(=O)O,-1.51
-E-617,4-chloroaniline,"InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2",QSNSCYSYFYORTR-UHFFFAOYSA-N,Nc(ccc(c1)Cl)c1,-1.66
-E-618,2-chloroaniline,"InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2",AKCRQHGQIJBRMN-UHFFFAOYSA-N,Nc(c(ccc1)Cl)c1,-1.52
-E-619,"3,4-dichloroaniline","InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2",SDYWXFYBZPNOFX-UHFFFAOYSA-N,Nc(ccc(c1Cl)Cl)c1,-3.24
-E-620,3-trifluoromethylaniline,"InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2",VIUDTWATMPPKEL-UHFFFAOYSA-N,FC(F)(F)c(cccc1N)c1,-1.47
-E-621,"3,3'-dichlorobenzidine","InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2",HUWXDEQWWKGHRV-UHFFFAOYSA-N,Nc(c(cc(c(ccc(N)c1Cl)c1)c2)Cl)c2,-4.92
-E-622,"2,6-dichlorobenzonitrile",InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,YOYAIZYFCNQIRF-UHFFFAOYSA-N,Clc1cccc(Cl)c1C#N,-4.24
-E-623,simazine,"InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)",ODCWYMIRDDJXKW-UHFFFAOYSA-N,n(c(nc(n1)NCC)NCC)c1Cl,-4.55
-E-624,trietazine,"InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)",HFBWPRKWDIRYNX-UHFFFAOYSA-N,n(c(nc(n1)N(CC)CC)NCC)c1Cl,-4.06
-E-625,cyanazine,"InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)",MZZBPDKVEFVLFF-UHFFFAOYSA-N,CCNc1nc(Cl)nc(NC(C)(C)C#N)n1,-3.15
-E-626,propazine,"InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)",WJNRPILHGGKWCK-UHFFFAOYSA-N,CC(C)Nc1nc(Cl)nc(NC(C)C)n1,-4.43
-E-627,chloropham,"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,CC(C)OC(=O)Nc1cccc(Cl)c1,-3.38
-E-628,monolinuron,"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,O=C(N(OC)C)Nc(ccc(c1)Cl)c1,-2.57
-E-629,monuron,"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,O=C(N(C)C)Nc(ccc(c1)Cl)c1,-2.89
-E-630,linuron,"InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",XKJMBINCVNINCA-UHFFFAOYSA-N,O=C(N(OC)C)Nc(ccc(c1Cl)Cl)c1,-3.52
-E-631,fluometuron,"InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)",RZILCCPWPBTYDO-UHFFFAOYSA-N,O=C(N(C)C)Nc(cccc1C(F)(F)F)c1,-3.43
-E-632,propachlor,"InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",MFOUDYKPLGXPGO-UHFFFAOYSA-N,CC(C)N(C(=O)CCl)c1ccccc1,-2.48
-E-633,neburon,"InChI=1S/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)",CCGPUGMWYLICGL-UHFFFAOYSA-N,CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,-4.77
-E-634,terbacil,"InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)",NBQCNZYJJMBDKY-UHFFFAOYSA-N,CC1=C(Cl)C(=O)N(C(C)(C)C)C(=O)N1,-2.48
-E-635,chloroxuron,"InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)",IVUXTESCPZUGJC-UHFFFAOYSA-N,CN(C)C(=O)Nc2ccc(Oc1ccc(Cl)cc1)cc2,-4.89
-E-636,nitrofen,InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H,XITQUSLLOSKDTB-UHFFFAOYSA-N,O=N(=O)c(ccc(Oc(c(cc(c1)Cl)Cl)c1)c2)c2,-5.46
-E-637,trifluralin,"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,CCCN(CCC)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O,-5.68
-E-638,triadimefon,"InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3",WURBVZBTWMNKQT-UHFFFAOYSA-N,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2,-3.61
-E-639,butanethiol,"InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3",WQAQPCDUOCURKW-UHFFFAOYSA-N,CCCCS,-2.18
-E-640,thiophenol,"InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H",RMVRSNDYEFQCLF-UHFFFAOYSA-N,c1ccccc1S,-2.12
-E-641,ametryn,"InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)",RQVYBGPQFYCBGX-UHFFFAOYSA-N,CCNc1nc(NC(C)C)nc(SC)n1,-3.04
-E-642,terbutryne,"InChI=1S/C10H19N5S/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)",IROINLKCQGIITA-UHFFFAOYSA-N,CCNc1nc(NC(C)(C)C)nc(SC)n1,-4
-E-643,ethylenethiourea,"InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)",PDQAZBWRQCGBEV-UHFFFAOYSA-N,N(C(=S)NC1)C1,-0.71
-E-644,"1,3-diethylthiourea","InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)",FLVIGYVXZHLUHP-UHFFFAOYSA-N,CCNC(=S)NCC,-1.46
-E-645,1-phenylthiourea,"InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)",FULZLIGZKMKICU-UHFFFAOYSA-N,NC(=S)Nc(cccc1)c1,-1.77
-E-646,2-thiouracil,"InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",ZEMGGZBWXRYJHK-UHFFFAOYSA-N,n(ccc(n1)O)c1S,-2.26
-E-647,saccharin,"InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)",CVHZOJJKTDOEJC-UHFFFAOYSA-N,O=C(NS(=O)(=O)c1cccc2)c12,-1.64
-E-648,4-toluenesulfonamide,"InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)",LMYRWZFENFIFIT-UHFFFAOYSA-N,O=S(=O)(N)c(ccc(c1)C)c1,-1.74
-E-649,2-toluenesulfonamide,"InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)",YCMLQMDWSXFTIF-UHFFFAOYSA-N,O=S(=O)(N)c(c(ccc1)C)c1,-2.02
-E-650,oryzalin,"InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)",UNAHYJYOSSSJHH-UHFFFAOYSA-N,CCCN(CCC)c1c(cc(cc1N(=O)=O)S(N)(=O)=O)N(=O)=O,-5.16
-E-651,triethyl_phosphate,"InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3",DQWPFSLDHJDLRL-UHFFFAOYSA-N,O=P(OCC)(OCC)OCC,0.43
-E-652,tricresyl_phosphate,"InChI=1S/C21H21O7P/c1-13-7-8-17(23)12-20(13)27-29(25,26-19-10-9-16(22)11-15(19)3)28-21-14(2)5-4-6-18(21)24/h4-12,22-24H,1-3H3",JVHMUUUYNIPCPF-UHFFFAOYSA-N,O=P(Oc1ccc(O)cc1C)(Oc2cc(O)ccc2C)Oc3c(O)cccc3C,-6.7
-E-653,phorate,"InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3",BULVZWIRKLYCBC-UHFFFAOYSA-N,CCOP(=S)(OCC)SCSCC,-4.11
-E-654,disulfoton,"InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3",DOFZAZXDOSGAJZ-UHFFFAOYSA-N,CCOP(=S)(OCC)SCCSCC,-4.23
-E-655,prometryn,"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,COP(=S)(OC)SCN2C(=O)c1ccccc1C2=O,-4.1
-E-656,chlorpyriphos_methyl,"InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3",HRBKVYFZANMGRE-UHFFFAOYSA-N,COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl,-4.82
-E-657,parathion_methyl,"InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3",RLBIQVVOMOPOHC-UHFFFAOYSA-N,COP(=S)(OC)Oc1ccc(cc1)N(=O)=O,-3.68
-E-658,dicaphton,"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,COP(=S)(OC)Oc1ccc(cc1Cl)N(=O)=O,-4.31
-E-659,ethion,"InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3",RIZMRRKBZQXFOY-UHFFFAOYSA-N,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,-5.54
-E-660,DEF,"InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3",ZOKXUAHZSKEQSS-UHFFFAOYSA-N,O=P(SCCCC)(SCCCC)SCCCC,-5.14
-E-661,bromophos,"InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3",NYQDCVLCJXRDSK-UHFFFAOYSA-N,COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl,-6.09
-E-662,ronnel,"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,COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl,-5.72
-E-663,cholic_acid,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)",BHQCQFFYRZLCQQ-UHFFFAOYSA-N,O=C(O)CCC(C(C(C(C(C(C(C(C1)CC(O)C2)(C2)C)C3)C1O)C4)(C3O)C)C4)C,-3.37
-E-664,deoxycholic_acid,"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,O=C(O)CCC(C(C(C(C(C(C(C(C1)CC(O)C2)(C2)C)C3)C1)C4)(C3O)C)C4)C,-3.95
-E-665,hyodeoxycholic_acid,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)",RUDATBOHQWOJDD-UHFFFAOYSA-N,C1C(O)CC2CC(O)C3C4CCC(C(C)CCC(=O)O)C4(C)CCC3C2(C)C1,-3.82
-E-666,chenodeoxycholic_acid,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)",RUDATBOHQWOJDD-UHFFFAOYSA-N,CC(CCC(O)=O)C3CCC4C2C(O)CC1CC(O)CCC1(C)C2CCC34C,-3.64
-E-667,triazolam,"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3",JOFWLTCLBGQGBO-UHFFFAOYSA-N,c1cc2N3C(C)=NN=C3CN=C(c4c(Cl)cccc4)c2cc1Cl,-4.08
-E-668,indomethacin,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",CGIGDMFJXJATDK-UHFFFAOYSA-N,COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)O)c2c1,-4.62
-E-669,2-aminothiazole,"InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)",RAIPHJJURHTUIC-UHFFFAOYSA-N,s1c(N)ncc1,-0.36
-E-670,1-naphthyl_isothiocyanate,InChI=1S/C11H7NS/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,JBDOSUUXMYMWQH-UHFFFAOYSA-N,N(c(c(c(ccc1)cc2)c1)c2)=C=S,-4.6
-E-671,3-chloropropionitrile,InChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2,GNHMRTZZNHZDDM-UHFFFAOYSA-N,N#CCCCl,-0.29
-E-672,3-pentenenitrile,"InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3",UVKXJAUUKPDDNW-UHFFFAOYSA-N,N#CCC=CC,-0.96
-E-673,4-aminoacetanilide,"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,O=C(Nc(ccc(N)c1)c1)C,-0.98
-E-674,4-bromoacetanilide,"InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)",MSLICLMCQYQNPK-UHFFFAOYSA-N,O=C(Nc(ccc(c1)Br)c1)C,-3.08
-E-675,4-fluoroacetanilide,"InChI=1S/C8H8FNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)",JHEFOJNPLXSWNZ-UHFFFAOYSA-N,O=C(Nc(ccc(c1)F)c1)C,-1.78
-E-676,4-formylacetanilide,"InChI=1S/C9H9NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-6H,1H3,(H,10,12)",SKLUWKYNZNXSLX-UHFFFAOYSA-N,O=C(Nc(ccc(c1)C=O)c1)C,-1.58
-E-677,4-iodoacetanilide,"InChI=1S/C8H8INO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)",SIULLDWIXYYVCU-UHFFFAOYSA-N,O=C(Nc(ccc(c1)I)c1)C,-3.25
-E-678,4-methoxyacetanilide,"InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)",XVAIDCNLVLTVFM-UHFFFAOYSA-N,O=C(Nc(ccc(c1)OC)c1)C,-1.3
-E-679,cycluron,"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,CN(C)C(=O)NC1CCCCCCC1,-2.36
-E-680,dibucaine,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)",PUFQVTATUTYEAL-UHFFFAOYSA-N,CCCCOc2cc(C(=O)NCCN(CC)CC)c1ccccc1n2,-3.7
-E-681,doxepin,"InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3",ODQWQRRAPPTVAG-UHFFFAOYSA-N,CN(C)CCC=C2c1ccccc1COc3ccccc23,-3.4
-E-682,fluotrimazole,"InChI=1S/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H",LXMQMMSGERCRSU-UHFFFAOYSA-N,FC(F)(F)c(cccc1C(n(ncn2)c2)(c(cccc3)c3)c(cccc4)c4)c1,-8.4
-E-683,indoline,"InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2",LPAGFVYQRIESJQ-UHFFFAOYSA-N,N(c(c(ccc1)C2)c1)C2,-1.04
-E-684,isonoruron,"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,O=C(NC1C2C3CCCC3C(C1)C2)N(C)C,-3.01
-E-685,isoproturon,"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,CC(C)c1ccc(NC(=O)N(C)C)cc1,-3.54
-E-686,nalidixic_acid,"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,Cc1ccc2C(=O)C(C(=O)O)=CN(CC)c2n1,-3.37
-E-687,pipedemic_acid,"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,C1CNCCN1c2ncc3C(=O)C(C(=O)O)=CN(CC)c3n2,-2.98
-E-688,norethisterone,"InChI=1S/C20H26O2/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/h1,12,15-18,22H,4-11H2,2H3",VIKNJXKGJWUCNN-UHFFFAOYSA-N,CC34CCC1C(CCC2=CC(=O)CCC12)C3CCC4(O)C#C,-4.57
-E-689,norethisterone_acetate,"InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3",IMONTRJLAWHYGT-UHFFFAOYSA-N,CC(=O)OC3(CCC4C2CCC1=CC(=O)CCC1C2CCC34C)C#C,-4.79
-E-690,6-methylprednisolone,"InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3",VHRSUDSXCMQTMA-UHFFFAOYSA-N,O=C1C=C2C(C)CC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C3C2(C)C=C1,-2.99
-E-691,ioxynil,"InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H",NRXQIUSYPAHGNM-UHFFFAOYSA-N,Oc1c(I)cc(C#N)cc1I,-3.61
-E-692,thiopental,"InChI=1S/C11H18N2O2S/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)",IUJDSEJGGMCXSG-UHFFFAOYSA-N,O=C1NC(=S)NC(=O)C1(CC)C(C)CCC,-3.36
-E-693,alloxanthin,"InChI=1S/C8H6N4O8/c13-1-7(19,2(14)10-5(17)9-1)8(20)3(15)11-6(18)12-4(8)16/h19-20H,(H2,9,10,13,14,17)(H2,11,12,15,16,18)",IWDDXZKCDHOOSF-UHFFFAOYSA-N,O=C(NC(=O)C(O)(C1=O)C(O)(C(=O)NC(=O)N2)C2=O)N1,-2.23
-E-694,riboflavin,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)",AUNGANRZJHBGPY-UHFFFAOYSA-N,Cc1c(C)cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO)c2c1,-3.68
-E-695,chloramben,"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,O=C(O)c(c(c(N)cc1Cl)Cl)c1,-2.47
-E-696,barbane,"InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)",MCOQHIWZJUDQIC-UHFFFAOYSA-N,ClCC#CCOC(=O)Nc1cccc(Cl)c1,-4.37
-E-697,tetracycline,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)",OFVLGDICTFRJMM-UHFFFAOYSA-N,CN(C)C2C1CC4C(=C(O)C1(O)C(=O)C(=C2O)C(N)=O)C(=O)c3c(O)cccc3C4(C)O,-3.12
-E-698,oxytetracycline,"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,O=C(N)C(=C(O)C(N(C)C)C(C1(O)C(O)=C(C2C(O)(c(c3c(O)cc4)c4)C)C3=O)C2O)C1=O,-3.14
-E-699,L-tryptophan,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)",COLNVLDHVKWLRT-UHFFFAOYSA-N,O=C(O)C(N)Cc(cccc1)c1,-1.23
-E-700,diphenamid,"InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3",QAHFOPIILNICLA-UHFFFAOYSA-N,CN(C)C(=O)C(c1ccccc1)c2ccccc2,-2.98
-E-701,triallate,"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,CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl,-4.88
-E-702,methionine,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",FFEARJCKVFRZRR-UHFFFAOYSA-N,O=C(O)C(N)CCSC,-0.42
-E-703,pedulate,"InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3",SGEJQUSYQTVSIU-UHFFFAOYSA-N,CCCCN(CC)C(=O)SCCC,-3.35
-E-704,methyl_nicotinate,"InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3",YNBADRVTZLEFNH-UHFFFAOYSA-N,O=C(OC)c(cccn1)c1,-0.46
-E-705,propyl-p-aminobenzoate,"InChI=1S/C10H13NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3",NBFQYHKHPBMJJV-UHFFFAOYSA-N,CCCOC(=O)c1ccc(N)cc1,-2.33
-E-706,gamma-butyrolactone,InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,YEJRWHAVMIAJKC-UHFFFAOYSA-N,O=C(OCC1)C1,1.07
-E-707,methyl_gallate,"InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3",FBSFWRHWHYMIOG-UHFFFAOYSA-N,O=C(OC)c(cc(O)c(O)c1O)c1,-1.24
-E-708,methyl-4-hydroxybenzoate,"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3",LXCFILQKKLGQFO-UHFFFAOYSA-N,O=C(OC)c(ccc(O)c1)c1,-1.78
-E-709,ethyl_cinnamate,"InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3",KBEBGUQPQBELIU-UHFFFAOYSA-N,O=C(OCC)C=Cc(cccc1)c1,-3
-E-710,diethyl_succinate,"InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3",DKMROQRQHGEIOW-UHFFFAOYSA-N,O=C(OCC)CCC(=O)OCC,-0.96
-E-711,diallyl_phthalate,"InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2",QUDWYFHPNIMBFC-UHFFFAOYSA-N,O=C(OCC=C)c(c(ccc1)C(=O)OCC=C)c1,-3.13
-E-712,butyl_benzoate,"InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3",XSIFPSYPOVKYCO-UHFFFAOYSA-N,O=C(OCCCC)c(cccc1)c1,-3.48
-E-713,methyl-4-aminobenzoate,"InChI=1S/C8H9NO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3",LZXXNPOYQCLXRS-UHFFFAOYSA-N,O=C(OC)c(ccc(N)c1)c1,-1.59
-E-714,hexyl-4-aminobenzoate,"InChI=1S/C13H19NO2/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9H,2-5,10,14H2,1H3",UWIGKXXCHKVGHW-UHFFFAOYSA-N,CCCCCCOC(=O)c1ccc(N)cc1,-3.95
-E-715,heptyl-4-aminobenzoate,"InChI=1S/C14H21NO2/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10H,2-6,11,15H2,1H3",IAHJVNSZPMIREM-UHFFFAOYSA-N,CCCCCCCOC(=O)c1ccc(N)cc1,-4.6
-E-716,octyl-4-aminobenzoate,"InChI=1S/C15H23NO2/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11H,2-7,12,16H2,1H3",XOEUGELJHSUYGP-UHFFFAOYSA-N,CCCCCCCCOC(=O)c1ccc(N)cc1,-5.4
-E-717,salicylanilide,"InChI=1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16)",WKEDVNSFRWHDNR-UHFFFAOYSA-N,O=C(Nc(cccc1)c1)c(c(O)ccc2)c2,-3.59
-E-718,phenylhydroxylamine,"InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H",CKRZKMFTZCFYGB-UHFFFAOYSA-N,ONc(cccc1)c1,-0.74
-E-719,thioanisole,"InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3",HNKJADCVZUBCPG-UHFFFAOYSA-N,S(c(cccc1)c1)C,-2.39
-E-720,formanilide,"InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)",DYDNPESBYVVLBO-UHFFFAOYSA-N,O=CNc(cccc1)c1,-0.68
-E-721,N-acetylsulfanilamide,"InChI=1S/C8H10N2O3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)",PKOFBDHYTMYVGJ-UHFFFAOYSA-N,c1cc(NC(=O)C)ccc1S(=O)(=O)N,-1.61
-E-722,3-methylacetanilide,"InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)",ALMHSXDYCFOZQD-UHFFFAOYSA-N,O=C(Nc(cccc1C)c1)C,-2.09
-E-723,2-nitroacetanilide,"InChI=1S/C8H8N2O3/c1-6(11)9-7-4-2-3-5-8(7)10(12)13/h2-5H,1H3,(H,9,11)",BUNFNRVLMKHKIT-UHFFFAOYSA-N,O=C(Nc(c(N(=O)=O)ccc1)c1)C,-1.91
-E-724,N-methylacetanilide,"InChI=1S/C9H11NO/c1-8(11)10(2)9-6-4-3-5-7-9/h3-7H,1-2H3",LMTGCJANOQOGPI-UHFFFAOYSA-N,O=C(N(c(cccc1)c1)C)C,-0.95
-E-725,2-hydroxyacetanilide,"InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)",ADVGKWPZRIDURE-UHFFFAOYSA-N,O=C(Nc(c(O)ccc1)c1)C,-2.24
-E-726,naepaine,"InChI=1S/C14H22N2O2/c1-2-3-4-9-16-10-11-18-14(17)12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11,15H2,1H3",UYXHCVFXDBNRQW-UHFFFAOYSA-N,c1cc(N)ccc1C(=O)OCCNCCCCC,-3.27
-E-727,nimetazepam,"InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3",GWUSZQUVEVMBPI-UHFFFAOYSA-N,c1c(N(=O)(=O))cc2C(c3ccccc3)=NCC(=O)N(C)c2c1,-3.8
-E-728,stadacaine,"InChI=1S/C17H27NO3/c1-4-7-13-20-16-10-8-15(9-11-16)17(19)21-14-12-18(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3",QNIUOGIMJWORNZ-UHFFFAOYSA-N,c1cc(OCCCC)ccc1C(=O)OCCN(CC)CC,-3.84
-E-729,tripelenamine,"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,n(c(N(Cc(cccc1)c1)CCN(C)C)ccc2)c2,-2.64
-E-730,medrogestone,"InChI=1S/C23H32O2/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-11-23(5)19(17)8-10-22(23,4)15(2)24/h12-13,17-19H,6-11H2,1-5H3",HCFSGRMEEXUOSS-UHFFFAOYSA-N,C1C(=O)C=C2C(C)=CC3C4CCC(C(=O)C)(C)C4(C)CCC3C2(C)C1,-5.27
-E-731,megestrol_acetate,"InChI=1S/C24H32O4/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/h12-13,18-20H,6-11H2,1-5H3",RQZAXGRLVPAYTJ-UHFFFAOYSA-N,C1C(=O)C=C2C(C)=CC3C4CCC(C(=O)C)(OC(=O)C)C4(C)CCC3C2(C)C1,-5.35
-E-732,ethylcyclohexane,"InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3",IIEWJVIFRVWJOD-UHFFFAOYSA-N,C1CCCCC1CC,-4.25
-E-733,"4,5-dichloroquiaiacol","InChI=1S/C7H6Cl2O2/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3,10H,1H3",HAAFFTHBNFBVKY-UHFFFAOYSA-N,c1c(Cl)c(Cl)cc(O)c1OC,-2.53
-E-734,L-carvone,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3",ULDHMXUKGWMISQ-UHFFFAOYSA-N,O=C(C(=CCC1C(=C)C)C)C1,-2.06
-E-735,Nitroguanidine,"InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)",IDCPFAYURAQKDZ-UHFFFAOYSA-N,O=N(=O)NC(=N)N,-1.37
-E-736,Chloroacetamide,"InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)",VXIVSQZSERGHQP-UHFFFAOYSA-N,O=C(N)CCl,-0.02
-E-737,Parabanic_Acid,"InChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)",ZFLIKDUSUDBGCD-UHFFFAOYSA-N,O=C(NC(=O)C1=O)N1,-0.4
-E-738,beta-Iodopropionic_Acid,"InChI=1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)",KMRNTNDWADEIIX-UHFFFAOYSA-N,O=C(O)CCI,-0.43
-E-739,Nitroglycerin,"InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2",SNIOPGDIGTZGOP-UHFFFAOYSA-N,O=N(=O)OCC(ON(=O)=O)CON(=O)=O,-2.22
-E-740,1-Acetylurea,"InChI=1S/C3H6N2O2/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)",GKRZNOGGALENQJ-UHFFFAOYSA-N,O=C(NC(=O)C)N,-0.9
-E-741,Glycerol,"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2",PEDCQBHIVMGVHV-UHFFFAOYSA-N,OCC(O)CO,1.12
-E-742,Alloxan,"InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)",HIMXGTXNXJYFGB-UHFFFAOYSA-N,O=C(NC(=O)C(=O)C1=O)N1,-1.25
-E-743,5-Nitrobarbituric_Acid,"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,O=C(NC(=O)C(N(=O)=O)C1=O)N1,-2.28
-E-744,4(3H)-Pyrimidone,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h2-3H,1H2",TZYQTWHRLVDYPL-UHFFFAOYSA-N,O=C1N=CN=CC1,0.59
-E-745,Succinimide,"InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)",KZNICNPSHKQLFF-UHFFFAOYSA-N,O=C(NC(=O)C1)C1,0.3
-E-746,"2,5-Piperazinedione","InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)",BXRNXXXXHLBUKK-UHFFFAOYSA-N,O=C(NCC(=O)N1)C1,-0.83
-E-747,Allantoin,"InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)",POJWUDADGALRAB-UHFFFAOYSA-N,O=C(NC(NC(=O)N1)C1=O)N,-1.6
-E-748,bis-(2-chloroethyl)-sulfoxide,InChI=1S/C4H8Cl2OS/c5-1-3-8(7)4-2-6/h1-4H2,NOMHBBFEJSVGSC-UHFFFAOYSA-N,ClCCS(=O)CCCl,-1.16
-E-749,bis-(2.chloroethyl)-sulfone,"InChI=1S/C3H6Cl2O2S/c4-1-2-8(6,7)3-5/h1-3H2",XEPMSXZCQZXKRP-UHFFFAOYSA-N,ClCCS(=O)(=O)CCl,-1.5
-E-750,3-Hydroxytetrahydrofuran,"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2",XDPCNPCKDGQBAN-UHFFFAOYSA-N,O(CC(O)C1)C1,1.05
-E-751,alpha-Aminobutyric_Acid,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",QWCKQJZIFLGMSD-UHFFFAOYSA-N,CCC(N)C(=O)O,0.31
-E-752,beta-Aminobutyric_Acid,"InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)",OQEBBZSWEGYTPG-UHFFFAOYSA-N,O=C(O)CC(N)C,1.08
-E-753,Threonine,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)",AYFVYJQAPQTCCC-UHFFFAOYSA-N,O=C(O)C(N)C(O)C,-0.09
-E-754,Orotic_Acid,"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,C1(=O)NC(=O)NC(C(=O)O)=C1,-1.93
-E-755,2-Hydroxypyridine,"InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)",UBQKCCHYAOITMY-UHFFFAOYSA-N,n(c(O)ccc1)c1,1.02
-E-756,3-Hydroxypyridine,"InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H",GRFNBEZIAWKNCO-UHFFFAOYSA-N,n(cccc1O)c1,-0.46
-E-757,"1,3-Dichloro-5,5-dimethylhydantoin",InChI=1S/C5H6Cl2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3,KEQGZUUPPQEDPF-UHFFFAOYSA-N,O=C(N(C(C1=O)(C)C)Cl)N1Cl,-2.6
-E-758,5-Methyl-2-thiouracil,"InChI=1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)",ZLAQATDNGLKIEV-UHFFFAOYSA-N,n(cc(c(n1)O)C)c1S,-2.45
-E-759,Methylthiouracil,"InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)",HWGBHCRJGXAGEU-UHFFFAOYSA-N,n(c(O)cc(n1)C)c1S,-2.43
-E-760,5-Ethylhydantoin,"InChI=1S/C5H8N2O2/c1-2-3-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)",RSBRXBZGVHQUJK-UHFFFAOYSA-N,CCC1NC(=O)NC1(=O),-0.06
-E-761,Methazolamide,"InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)",FLOSMHQXBMRNHR-UHFFFAOYSA-N,CC(=O)N=C1N(C)N=C(S(=O)(=O)N)S1,-1.83
-E-762,Glutamine,"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,O=C(O)C(N)CCC(=O)N,-0.55
-E-763,Dazomet,"InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3",QAYICIQNSGETAS-UHFFFAOYSA-N,N(CSC(N1C)=S)(C1)C,-2.13
-E-764,"4,5,7-Trichloro-2,1,3-benzothiadiazole",InChI=1S/C6HCl3N2S/c7-2-1-3(8)5-6(4(2)9)11-12-10-5/h1H,SZYWFOPNFNROQB-UHFFFAOYSA-N,c1c(Cl)c(Cl)c2nsnc2c1Cl,-4.98
-E-765,7-Chloropteridine,InChI=1S/C6H3ClN4/c7-5-2-9-6-4(11-5)1-8-3-10-6/h1-3H,YAVYBQFUSWPIQK-UHFFFAOYSA-N,c1c(Cl)nc2cncnc2n1,-0.87
-E-766,Pteridine,InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H,CPNGPNLZQNNVQM-UHFFFAOYSA-N,c1cnc2cncnc2n1,0.02
-E-767,4-Mercaptopteridine,"InChI=1S/C6H4N4S/c11-6-9-3-4-5(10-6)8-2-1-7-4/h1-3H,(H,8,9,10,11)",DAAQPMSPBHQGQA-UHFFFAOYSA-N,c1cnc2cnc(S)nc2n1,-2.77
-E-768,7-Mercaptopteridine,"InChI=1S/C6H4N4S/c11-5-2-8-6-4(10-5)1-7-3-9-6/h1-3H,(H,10,11)",LDLJGAYVPOULLZ-UHFFFAOYSA-N,c1c(S)nc2cncnc2n1,-2.71
-E-769,Urocanic_Acid,"InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)",LOIYMIARKYCTBW-UHFFFAOYSA-N,O=C(O)C=CC(N=CN1)=C1,-1.96
-E-770,1-Methyluric_Acid,"InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)",QFDRTQONISXGJA-UHFFFAOYSA-N,CN1C(=O)NC(NC2=O)=C(N2)C1=O,-1.56
-E-771,Isosorbide_Dinitrate,"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,O=N(=O)OC(C(OCC1ON(=O)=O)C1O2)C2,-2.63
-E-772,Histidine,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)",HNDVDQJCIGZPNO-UHFFFAOYSA-N,O=C(O)C(N)CC(N=CN1)=C1,-0.53
-E-773,Allicin,"InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2",JDLKFOPOAOFWQN-UHFFFAOYSA-N,C=CCS(=O)SCC=C,-0.83
-E-774,Daminozide,"InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)",NOQGZXFMHARMLW-UHFFFAOYSA-N,CN(C)NC(=O)CCC(O)=O,-0.2
-E-775,d-Quercitol,"InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2",IMPKVMRTXBRHRB-UHFFFAOYSA-N,OC1C(O)C(O)C(O)C(O)C1,-0.17
-E-776,D-Inositol,InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H,CDAISMWEOUEBRE-UHFFFAOYSA-N,OC1C(O)C(O)C(O)C(O)C1O,0.35
-E-777,n-Amyl_Carbamate,"InChI=1S/C6H13NO2/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3,(H2,7,8)",MYDQAEQZZKVJSL-UHFFFAOYSA-N,NC(=O)OCCCCC,-1.47
-E-778,tert-Amyl_Carbamate,"InChI=1S/C6H13NO2/c1-6(2,3)4-9-5(7)8/h4H2,1-3H3,(H2,7,8)",AFQYFVWMIRMBAE-UHFFFAOYSA-N,NC(=O)OCC(C)(C)C,-0.8
-E-779,Sorbitol,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2",FBPFZTCFMRRESA-UHFFFAOYSA-N,OCC(O)C(O)C(O)C(O)CO,1.09
-E-780,Quintozene,InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9,LKPLKUMXSAEKID-UHFFFAOYSA-N,O=N(=O)c(c(c(c(c1Cl)Cl)Cl)Cl)c1Cl,-5.82
-E-781,Bromoxynil,"InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H",UPMXNNIRAGDFEH-UHFFFAOYSA-N,Oc1c(Br)cc(C#N)cc1Br,-3.33
-E-782,"3,5-Diiodosalicylic_Acid","InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)",DHZVWQPHNWDCFS-UHFFFAOYSA-N,O=C(O)c(c(O)c(cc1I)I)c1,-3.31
-E-783,o-Iodobenzoic_Acid,"InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)",CJNZAXGUTKBIHP-UHFFFAOYSA-N,O=C(O)c(c(ccc1)I)c1,-2.73
-E-784,2-Methylpteridine,"InChI=1S/C7H6N4/c1-5-6-7(11-4-10-5)9-3-2-8-6/h2-4H,1H3",WESDBLALURHRDL-UHFFFAOYSA-N,c1cnc2c(C)ncnc2n1,-0.12
-E-785,4-Methylpteridine,"InChI=1S/C7H6N4/c1-5-10-4-6-7(11-5)9-3-2-8-6/h2-4H,1H3",BIGRRCHSUAXSEE-UHFFFAOYSA-N,c1cnc2cnc(C)nc2n1,-0.47
-E-786,7-Methylpteridine,"InChI=1S/C7H6N4/c1-5-2-9-7-6(11-5)3-8-4-10-7/h2-4H,1H3",IQCHKMQERZPOIJ-UHFFFAOYSA-N,c1c(C)nc2cncnc2n1,0.06
-E-787,4-Methoxypteridine,"InChI=1S/C7H6N4O/c1-12-7-10-4-5-6(11-7)9-3-2-8-5/h2-4H,1H3",NIKKSNUDXYPTRO-UHFFFAOYSA-N,c1cnc2cnc(OC)nc2n1,-1.11
-E-788,7-Methoxypteridine,"InChI=1S/C7H6N4O/c1-12-6-3-9-7-5(11-6)2-8-4-10-7/h2-4H,1H3",AWIJPALBOQNRBS-UHFFFAOYSA-N,c1c(OC)nc2cncnc2n1,-0.91
-E-789,2-Methylthiopteridine,"InChI=1S/C7H6N4S/c1-12-7-5-6(10-4-11-7)9-3-2-8-5/h2-4H,1H3",XKENOTHGZDIXRS-UHFFFAOYSA-N,c1cnc2c(SC)ncnc2n1,-1.76
-E-790,4-Methylthiopteridine,"InChI=1S/C7H6N4S/c1-12-7-10-4-5-6(11-7)9-3-2-8-5/h2-4H,1H3",LNTLWEUAGAFRJR-UHFFFAOYSA-N,c1cnc2cnc(SC)nc2n1,-2.36
-E-791,Salicylaldehyde,"InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H",SMQUZDBALVYZAC-UHFFFAOYSA-N,O=Cc(c(O)ccc1)c1,-0.86
-E-792,Gallic_Acid,"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,O=C(O)c(cc(O)c(O)c1O)c1,-1.16
-E-793,Salicylamide,"InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)",SKZKKFZAGNVIMN-UHFFFAOYSA-N,O=C(N)c(c(O)ccc1)c1,-1.76
-E-794,4-Phenylsemicarbazide,"InChI=1S/C7H9N3O/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)",MOCKWYUCPREFCZ-UHFFFAOYSA-N,c1ccccc1NC(=O)NN,-2.33
-E-795,Sulfaguanidine,"InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)",BRBKOPJOKNSWSG-UHFFFAOYSA-N,c1cc(N)ccc1S(=O)(=O)NC(=N)N,-1.99
-E-796,3-Methylcyclohexanone,"InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3",UJBOOUHRTQVGRU-UHFFFAOYSA-N,O=C(CCCC1C)C1,-1.87
-E-797,2-Methylcyclohexanone,"InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3",LFSAPCRASZRSKS-UHFFFAOYSA-N,C1CCCC(C)C1=O,-0.94
-E-798,n-Hexyl_Carbamate,"InChI=1S/C7H15NO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3,(H2,8,9)",ROASJEHPZNKHOF-UHFFFAOYSA-N,NC(=O)OCCCCCC,-1.92
-E-799,Phthalic_Anhydride,InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,LGRFSURHDFAFJT-UHFFFAOYSA-N,O=C(OC(=O)c1cccc2)c12,-1.39
-E-800,Chlorfenac,"InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)",QZXCCPZJCKEPSA-UHFFFAOYSA-N,O=C(O)Cc(c(ccc1Cl)Cl)c1Cl,-3.08
-E-801,"2,4,5-T","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,O=C(O)COc(c(cc(c1Cl)Cl)Cl)c1,-2.96
-E-802,Trifluoro-o-toluic_Acid,"InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)",FBRJYBGLCHWYOE-UHFFFAOYSA-N,OC(=O)c1ccccc1C(F)(F)F,-1.6
-E-803,2-Chlorophenoxyacetic_Acid,"InChI=1S/C8H7ClO3/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",OPQYFNRLWBWCST-UHFFFAOYSA-N,OC(=O)COc1ccccc1Cl,-2.16
-E-804,4-Chlorophenoxyacetic_Acid,"InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",SODPIMGUZLOIPE-UHFFFAOYSA-N,O=C(O)COc(ccc(c1)Cl)c1,-2.29
-E-805,Chloramben_Methyl_Ester,"InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3",DTSSCQVCVYZGSI-UHFFFAOYSA-N,O=C(OC)c(c(c(N)cc1Cl)Cl)c1,-3.26
-E-806,Cyclohexanol_Acetate,"InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3",YYLLIJHXUHJATK-UHFFFAOYSA-N,C1CCCCC1OC(=O)C,-1.67
-E-807,Vanillic_Acid,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",WKOLLVMJNQIZCI-UHFFFAOYSA-N,O=C(O)c(ccc(O)c1OC)c1,-2.05
-E-808,"Phenol,_4-chloro-3,5-dimethyl-","InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3",OSDLLIBGSJNGJE-UHFFFAOYSA-N,Oc(cc(c(c1C)Cl)C)c1,-2.8
-E-809,m-Aminoacetophenone,"InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3",CKQHAYFOPRIUOM-UHFFFAOYSA-N,c1ccc(N)cc1C(=O)C,-1.28
-E-810,p-Aminoacetophenone,"InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3",GPRYKVSEZCQIHD-UHFFFAOYSA-N,O=C(c(ccc(N)c1)c1)C,-1.61
-E-811,"2,3-Xylenol","InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3",QWBBPBRQALCEIZ-UHFFFAOYSA-N,Oc(c(c(cc1)C)C)c1,-1.43
-E-812,"2,5-Xylenol","InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3",NKTOLZVEWDHZMU-UHFFFAOYSA-N,Oc(c(ccc1C)C)c1,-1.54
-E-813,"2,6-Xylenol","InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3",NXXYKOUNUYWIHA-UHFFFAOYSA-N,Oc(c(ccc1)C)c1C,-1.31
-E-814,"3,4-Xylenol","InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3",YCOXTKKNXUZSKD-UHFFFAOYSA-N,Oc(ccc(c1C)C)c1,-1.41
-E-815,Endothall,"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,O=C(O)C(C(C(=O)O)C(O1)CC2)C12,-0.27
-E-816,"N,N-Diallyldichloroacetamide","InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2",YRMLFORXOOIJDR-UHFFFAOYSA-N,O=C(N(CC=C)CC=C)C(Cl)Cl,-1.62
-E-817,Chloralose,"InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2",OJYGBLRPYBAHRT-UHFFFAOYSA-N,O(C(OC(C1O)C(O)CO)C1O2)C2C(Cl)(Cl)Cl,-1.84
-E-818,Phenylethanolamine,"InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2",ULSIYEODSMZIPX-UHFFFAOYSA-N,OC(c(cccc1)c1)CN,-0.48
-E-819,2-Chloroallyl_Diethyldithiocarbamate,"InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3",XJCLWVXTCRQIDI-UHFFFAOYSA-N,CCN(CC)C(=S)SCC(Cl)=C,-3.39
-E-820,"2,4-Octadione","InChI=1S/C8H14O2/c1-3-4-5-8(10)6-7(2)9/h3-6H2,1-2H3",GJYXGIIWJFZCLN-UHFFFAOYSA-N,CCCCC(=O)CC(=O)C,-1.56
-E-821,"3-Propyl-2,4-pentadione","InChI=1S/C8H14O2/c1-4-5-8(6(2)9)7(3)10/h8H,4-5H2,1-3H3",AQGSZYZZVTYOMQ-UHFFFAOYSA-N,CC(=O)C(CCC)C(=O)C,-0.88
-E-822,"5,5-Dimethyl-2,4-hexadione","InChI=1S/C8H14O2/c1-6(9)5-7(10)8(2,3)4/h5H2,1-4H3",LCLCVVVHIPPHCG-UHFFFAOYSA-N,CC(C)(C)C(=O)CC(=O)C,-1.63
-E-823,Pelletierine,"InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3",JEIZLWNUBXHADF-UHFFFAOYSA-N,N1CCCCC1CC(=O)C,-0.45
-E-824,Isocarbamid,"InChI=1S/C8H15N3O2/c1-6(2)5-10-8(13)11-4-3-9-7(11)12/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)",SBYAVOHNDJTVPA-UHFFFAOYSA-N,O=C1NCCN1C(=O)NCC(C)C,-2.15
-E-825,"1,1,3-Trimethylcyclopentane","InChI=1S/C8H16/c1-7-4-5-8(2,3)6-7/h7H,4-6H2,1-3H3",OBKHYUIZSOIEPG-UHFFFAOYSA-N,CC1(C)CC(C)CC1,-4.48
-E-826,"1,4-Dimethylcyclohexane","InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3",QRMPKOFEUHIBNM-UHFFFAOYSA-N,CC1CCC(C)CC1,-4.47
-E-827,n-Propylcyclopentane,"InChI=1S/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H3",KDIAMAVWIJYWHN-UHFFFAOYSA-N,C1C(CCC)CCC1,-4.74
-E-828,"trans-1,2-Dimethylcyclohexane","InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3",KVZJLSYJROEPSQ-UHFFFAOYSA-N,C1C(C)C(C)CCC1,-4.33
-E-829,n-Heptyl_Carbamate,"InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-11-8(9)10/h2-7H2,1H3,(H2,9,10)",AXMPFOXRWZXZFA-UHFFFAOYSA-N,NC(=O)OCCCCCCC,-2.62
-E-830,"2-Ethyl-1,3-hexanediol","InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3",RWLALWYNXFYRGW-UHFFFAOYSA-N,CCCC(O)C(CC)CO,-0.54
-E-831,Methazole,"InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3",LRUUNMYPIBZBQH-UHFFFAOYSA-N,CN2C(=O)ON(c1ccc(Cl)c(Cl)c1)C2=O,-2.82
-E-832,Tricyclazole,"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,Cc1cccc2sc3nncn3c12,-2.07
-E-833,Dichlorprop,"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,O=C(O)C(Oc(c(cc(c1)Cl)Cl)c1)C,-2.45
-E-834,Atropic_Acid,"InChI=1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)",ONPJWQSDZCGSQM-UHFFFAOYSA-N,c1ccccc1C(=C)C(=O)O,-2.06
-E-835,(4-Chloro-2-methylphenoxy)acetic_Acid,"InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)",WHKUVVPPKQRRBV-UHFFFAOYSA-N,O=C(O)COc(c(cc(c1)Cl)C)c1,-2.23
-E-836,"3,5-Diiodotyrosine","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,O=C(C(Cc1cc(c(c(c1)I)O)I)N)O,-2.86
-E-837,Hydrocinnamic_Acid,"InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)",XMIIGOLPHOKFCH-UHFFFAOYSA-N,O=C(O)CCc(cccc1)c1,-1.41
-E-838,dl-Tropic_Acid,"InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)",JACRWUWPXAESPB-UHFFFAOYSA-N,OCC(C(O)=O)c1ccccc1,-0.93
-E-839,p-Aminopropiophenone,"InChI=1S/C9H11NO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",FSWXOANXOQPCFF-UHFFFAOYSA-N,O=C(c(ccc(N)c1)c1)CC,-2.63
-E-840,Propionanilide,"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,c1ccccc1NC(=O)CC,-1.92
-E-841,m-Tolyl_Methylcarbamate,"InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)",VOEYXMAFNDNNED-UHFFFAOYSA-N,O=C(Oc(cccc1C)c1)NC,-1.8
-E-842,Levodopa,"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)",WTDRDQBEARUVNC-UHFFFAOYSA-N,O=C(O)C(N)Cc(ccc(O)c1O)c1,-1.6
-E-843,l-Camphoronic_Acid,"InChI=1S/C9H14O6/c1-8(2,6(12)13)9(3,7(14)15)4-5(10)11/h4H2,1-3H3,(H,10,11)(H,12,13)(H,14,15)",MJCJFUJXVGIUOD-UHFFFAOYSA-N,OC(=O)CC(C)(C(=O)O)C(C)(C)C(=O)O,-0.29
-E-844,Ecgonine,"InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)",PHMBVCPLDPDESM-UHFFFAOYSA-N,C1C(N2C)CC(O)C(C(=O)O)C2C1,-0.02
-E-845,Azelaic_Acid,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",BDJRBEYXGGNYIS-UHFFFAOYSA-N,O=C(O)CCCCCCCC(=O)O,-1.89
-E-846,Thiofanox,"InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)",FZSVSABTBYGOQH-UHFFFAOYSA-N,O=C(ON=C(C(C)(C)C)CSC)NC,-1.62
-E-847,n-Octyl_Carbamate,"InChI=1S/C9H19NO2/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3,(H2,10,11)",YPNZTHVEMNUDND-UHFFFAOYSA-N,CCCCCCCCOC(=O)N,-3.3
-E-848,Chlordene,"InChI=1S/C10H6Cl6/c11-6-7(12)9(14)5-3-1-2-4(5)8(6,13)10(9,15)16/h1-2,4-5H,3H2",XCJXQCUJXDUNDN-UHFFFAOYSA-N,ClC1=C(Cl)C(Cl)(C2(Cl)Cl)C3CC=CC3C12Cl,-5.64
-E-849,1-Hydroxychlordene,"InChI=1S/C10H6Cl6O/c11-6-7(12)9(14)5-3(1-2-4(5)17)8(6,13)10(9,15)16/h1-5,17H",YQWCIPIEEBVRNY-UHFFFAOYSA-N,OC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,-5.46
-E-850,Brompyrazone,"InChI=1S/C10H8BrN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2",ODNZLRLWXRXPOH-UHFFFAOYSA-N,O=C1C(Br)=C(N)C=NN1c2ccccc2,-3.12
-E-851,Captafol,"InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2",JHRWWRDRBPCWTF-UHFFFAOYSA-N,ClC(Cl)C(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O,-5.4
-E-852,4-Hydroxy-2-methylquinoline,"InChI=1S/C10H9NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)",NWINIEGDLHHNLH-UHFFFAOYSA-N,c1ccc2c(O)cc(C)nc2c1,-1.2
-E-853,Chlorfenprop-methyl,"InChI=1S/C10H10Cl2O2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3",YJKIALIXRCSISK-UHFFFAOYSA-N,COC(=O)C(Cl)Cc1ccc(Cl)cc1,-3.77
-E-854,"2,4-DB","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,OC(=O)CCCOc1ccc(Cl)cc1Cl,-3.67
-E-855,Sulfapyrazine,"InChI=1S/C10H10N4O2S/c11-8-1-3-9(4-2-8)17(15,16)14-10-7-12-5-6-13-10/h1-7H,11H2,(H,13,14)",YEAICDDXRUOCKJ-UHFFFAOYSA-N,c1cc(N)ccc1S(=O)(=O)Nc2cnccn2,-3.7
-E-856,Meconin,"InChI=1S/C10H10O4/c1-12-7-4-3-6-5-14-10(11)8(6)9(7)13-2/h3-4H,5H2,1-2H3",ORFFGRQMMWVHIB-UHFFFAOYSA-N,COc1ccc2COC(=O)c2c1OC,-1.89
-E-857,Opianic_Acid,"InChI=1S/C10H10O5/c1-14-7-4-3-6(5-11)8(10(12)13)9(7)15-2/h3-5H,1-2H3,(H,12,13)",HVXXOIGTXJOVON-UHFFFAOYSA-N,OC(=O)c1c(C=O)ccc(OC)c1OC,-1.92
-E-858,Mecoprop,"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,O=C(O)C(Oc(c(cc(c1)Cl)C)c1)C,-2.55
-E-859,Tranid,"InChI=1S/C10H12ClN3O2/c1-13-10(15)16-14-9-7-3-5(8(9)11)2-6(7)4-12/h5-8H,2-3H2,1H3,(H,13,15)",QCQPGRMMDFIQMB-UHFFFAOYSA-N,CNC(=O)ON=C1C(C2)C(C#N)CC2C1Cl,-2.08
-E-860,Quinethazone,"InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)",AGMMTXLNIQSRCG-UHFFFAOYSA-N,CCC2NC(=O)c1cc(c(Cl)cc1N2)S(N)(=O)=O,-3.29
-E-861,Bentazon,"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,O=C(N(S(=O)(=O)Nc1cccc2)C(C)C)c12,-2.68
-E-862,Inosine,"InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)",UGQMRVRMYYASKQ-UHFFFAOYSA-N,OCC1OC(C(O)C1O)n2cnc3C(=O)NC=Nc23,-1.23
-E-863,Anethole,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3",RUVINXPYWBROJD-UHFFFAOYSA-N,O(c(ccc(c1)C=CC)c1)C,-3.13
-E-864,Chlorpropamide,"InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)",RKWGIWYCVPQPMF-UHFFFAOYSA-N,c1cc(Cl)ccc1S(=O)(=O)NC(=O)NCCC,-3.03
-E-865,Triforine,"InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)",RROQIUMZODEXOR-UHFFFAOYSA-N,ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl,-4.19
-E-866,Dyphylline,"InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3",KSCFJBIXMNOVSH-UHFFFAOYSA-N,O=C(N(C(=O)C(N(C=N1)CC(O)CO)=C12)C)N2C,-0.17
-E-867,"2,6-Diethylaniline","InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3",FOYHNROGBXVLLX-UHFFFAOYSA-N,Nc(c(ccc1)CC)c1CC,-2.35
-E-868,N-Phenyldiethanolamine,"InChI=1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2",OJPDDQSCZGTACX-UHFFFAOYSA-N,OCCN(c(cccc1)c1)CCO,-0.73
-E-869,Camphor,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",DSSYKIVIOFKYAU-UHFFFAOYSA-N,O=C(C(C(C1C2)(C)C)(C2)C)C1,-1.99
-E-870,Citral,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3",WTEVQBCEXWBHNA-UHFFFAOYSA-N,O=CC=C(CCC=C(C)C)C,-2.06
-E-871,l-Dihydrocarvone,"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,O=C1C(C)CCC(C(C)=C)C1,-2.18
-E-872,d-Camphoric_Acid,"InChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)",LSPHULWDVZXLIL-UHFFFAOYSA-N,O=C(O)C(C(C(C(=O)O)C1)(C)C)(C1)C,-1.42
-E-873,Borneol,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3",DTGKSKDOIYIVQL-UHFFFAOYSA-N,OC(C(C(C1C2)(C)C)(C2)C)C1,-2.32
-E-874,Eucalyptol,"InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3",WEEGYLXZBRQIMU-UHFFFAOYSA-N,O(C(CCC1C2)(C2)C)C1(C)C,-1.64
-E-875,Linalool,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",CDOSHBSSFJOMGT-UHFFFAOYSA-N,OC(C=C)(CCC=C(C)C)C,-1.99
-E-876,Menthol,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",NOOLISFMXDJSKH-UHFFFAOYSA-N,OC(C(CCC1C)C(C)C)C1,-2.53
-E-877,Menadione,"InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3",MJVAVZPDRWSRRC-UHFFFAOYSA-N,c1cc2C(=O)C=C(C)C(=O)c2cc1,-3.03
-E-878,Vasicinone,"InChI=1S/C11H12N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,11,14-15H,5-6H2",AKRGPMZFCFDFQW-UHFFFAOYSA-N,c1ccc2C(O)N3CCC(O)C3=Nc2c1,-2.07
-E-879,"2,7-Dimethylquinoline","InChI=1S/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3",QXKPLNCZSFACPU-UHFFFAOYSA-N,n(c(c(ccc1C)cc2)c1)c2C,-1.94
-E-880,Sulfapyridine,"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,O=S(=O)(Nc(nccc1)c1)c(ccc(N)c2)c2,-2.7
-E-881,Sulfamerazine,"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,O=S(=O)(Nc(nccc1C)n1)c(ccc(N)c2)c2,-2.85
-E-882,Mefluidide,"InChI=1S/C11H13F3N2O3S/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14/h4-5,16H,1-3H3,(H,15,17)",OKIBNKKYNPBDRS-UHFFFAOYSA-N,Cc1cc(C)c(NC(=O)C)cc1NS(=O)(=O)C(F)(F)F,-3.24
-E-883,Aminophenazone,"InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3",RLFWWDJHLFCNIJ-UHFFFAOYSA-N,O=C1N(c2ccccc2)N(C)C(C)=C1N,-0.62
-E-884,Sulfamoxole,"InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)",CYFLXLSBHQBMFT-UHFFFAOYSA-N,c1cc(N)ccc1S(=O)(=O)Nc2nc(C)c(C)o2,-2.44
-E-885,Sulfisoxazole,"InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3",NHUHCSRWZMLRLA-UHFFFAOYSA-N,O=S(=O)(Nc(onc1C)c1C)c(ccc(N)c2)c2,-2.91
-E-886,Cytisine,"InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2",ANJTVLIZGCUXLD-UHFFFAOYSA-N,C1=CC(=O)N2CC(C3)CNCC3C2=C1,0.36
-E-887,Ethiofencarb,"InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)",HEZNVIYQEUHLNI-UHFFFAOYSA-N,CCSCc1ccccc1OC(=O)NC,-2.09
-E-888,Formetanate,"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,CNC(=O)Oc1cccc(N=CN(C)C)c1,-2.34
-E-889,Carbophenothion,"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,CCOP(=S)(OCC)SCSc1ccc(Cl)cc1,-5.74
-E-890,Aminocarb,"InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)",IMIDOCRTMDIQIJ-UHFFFAOYSA-N,CNC(=O)Oc1ccc(N(C)C)c(C)c1,-2.36
-E-891,Dimetan,"InChI=1S/C11H17NO3/c1-11(2)6-8(13)5-9(7-11)15-10(14)12(3)4/h5H,6-7H2,1-4H3",ITEQSCBLCCNACE-UHFFFAOYSA-N,C1C(C)(C)CC(=O)C=C1OC(=O)N(C)C,-0.85
-E-892,Fensulfothion,"InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3",XDNBJTQLKCIJBV-UHFFFAOYSA-N,CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O,-2.3
-E-893,Pirimicarb,InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3,YFGYUFNIOHWBOB-UHFFFAOYSA-N,CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C,-1.95
-E-894,Dimethirimol,"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,Cc1c(CCCC)c(O)nc(N(C)C)n1,-2.24
-E-895,Cycloate,"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,CCSC(=O)N(CC)C1CCCCC1,-3.4
-E-896,Methyl_Caprate,"InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3",YRHYCMZPEVDGFQ-UHFFFAOYSA-N,O=C(OC)CCCCCCCCC,-4.63
-E-897,Butylate,"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,O=C(N(CC(C)C)CC(C)C)SCC,-3.68
-E-898,11-Aminoundecanoic_Acid,"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,O=C(O)CCCCCCCCCCN,-2.7
-E-899,Triclosan,"InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H",XEFQLINVKFYRCS-UHFFFAOYSA-N,O(c(c(O)cc(c1)Cl)c1)c(c(cc(c2)Cl)Cl)c2,-4.46
-E-900,Methoxsalen,"InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3",QXKHYNVANLEOEG-UHFFFAOYSA-N,O=C1C=Cc2cc3ccoc3c(OC)c2O1,-3.66
-E-901,Norflurazon,"InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3",NVGOPFQZYCNLDU-UHFFFAOYSA-N,c1c(C(F)(F)F)cccc1N2C(=O)C(Cl)=C(NC)C=N2,-4.04
-E-902,Diphenylnitrosamine,InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,UBUCNCOMADRQHX-UHFFFAOYSA-N,O=NN(c(cccc1)c1)c(cccc2)c2,-3.75
-E-903,Fenfuram,"InChI=1S/C12H11NO2/c1-9-11(7-8-15-9)12(14)13-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)",JFSPBVWPKOEZCB-UHFFFAOYSA-N,Cc1occc1C(=O)Nc2ccccc2,-3.3
-E-904,Dapsone,"InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2",MQJKPEGWNLWLTK-UHFFFAOYSA-N,O=S(=O)(c(ccc(N)c1)c1)c(ccc(N)c2)c2,-2.82
-E-905,Buturon,"InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)",BYYMILHAKOURNM-UHFFFAOYSA-N,CC(C#C)N(C)C(=O)Nc1ccc(Cl)cc1,-3.9
-E-906,Sulfisomidine,"InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",YZMCKZRAOLZXAZ-UHFFFAOYSA-N,c1cc(N)ccc1S(=O)(=O)Nc2nc(C)nc(C)c2,-2.24
-E-907,Carbetamide,"InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)",AMRQXHFXNZFDCH-UHFFFAOYSA-N,CCNC(=O)C(C)OC(=O)Nc1ccccc1,-1.83
-E-908,Glybuthiazole,"InChI=1S/C12H16N4O2S2/c1-12(2,3)10-14-15-11(19-10)16-20(17,18)9-6-4-8(13)5-7-9/h4-7H,13H2,1-3H3,(H,15,16)",DVQVBLBKEXITIK-UHFFFAOYSA-N,c1cc(N)ccc1S(=O)(=O)Nc2nnc(C(C)(C)C)s2,-3.74
-E-909,Isoamyl_Salicylate,"InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3",PMGCQNGBLMMXEW-UHFFFAOYSA-N,O=C(OCCC(C)C)c(c(O)ccc1)c1,-3.16
-E-910,Tolbutamide,"InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)",JLRGJRBPOGGCBT-UHFFFAOYSA-N,O=C(NCCCC)NS(=O)(=O)c(ccc(c1)C)c1,-3.39
-E-911,Tributylamine,"InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3",IMFACGCPASFAPR-UHFFFAOYSA-N,N(CCCC)(CCCC)CCCC,-3.12
-E-912,Niclosamide,"InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)",RJMUSRYZPJIFPJ-UHFFFAOYSA-N,Clc1cc(N(=O)(=O))ccc1NC(=O)c2cc(Cl)ccc2O,-4.7
-E-913,Niflumic_Acid,"InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)",JZFPYUNJRRFVQU-UHFFFAOYSA-N,OC(=O)c1cccnc1Nc2cc(C(F)(F)F)ccc2,-4.17
-E-914,Phenanthridine,InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H,RDOWQLZANAYVLL-UHFFFAOYSA-N,c1ccc2c(c1)cnc3ccccc23,-2.78
-E-915,Carbanilide,"InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)",GWEHVDNNLFDJLR-UHFFFAOYSA-N,O=C(Nc(cccc1)c1)Nc(cccc2)c2,-3.15
-E-916,Pyracarbolid,"InChI=1S/C13H15NO2/c1-10-12(8-5-9-16-10)13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)",YPCALTGLHFLNGA-UHFFFAOYSA-N,CC1=C(CCCO1)C(=O)Nc2ccccc2,-2.56
-E-917,Pyrolan,"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,CN(C)C(=O)Oc1cc(C)nn1c2ccccc2,-2.09
-E-918,Acetyl_Sulfisoxazole,"InChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3",JFNWFXVFBDDWCX-UHFFFAOYSA-N,c1cc(N)ccc1S(=O)(=O)N(C(=O)C)c2onc(C)c2C,-3.59
-E-919,Medinoterb_Acetate,"InChI=1S/C13H16N2O6/c1-7-10(14(17)18)6-9(13(3,4)5)12(21-8(2)16)11(7)15(19)20/h6H,1-5H3",LWULXYSYLOIDQY-UHFFFAOYSA-N,CC(=O)Oc1c(N(=O)(=O))c(C)c(N(=O)(=O))cc1C(C)(C)C,-4.47
-E-920,Ethofumesate,"InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3",IRCMYGHHKLLGHV-UHFFFAOYSA-N,CCOC2Oc1ccc(OS(C)(=O)=O)cc1C2(C)C,-3.42
-E-921,Ibuproxam,"InChI=1S/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)",BYPIURIATSUHDW-UHFFFAOYSA-N,c1cc(CC(C)C)ccc1C(C)C(=O)NO,-3.04
-E-922,Salbutamol,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3",NDAUXUAQIAJITI-UHFFFAOYSA-N,c1c(CO)c(O)ccc1C(O)CNC(C)(C)C,-1.22
-E-923,Methyl_Laurate,"InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3",UQDUPQYQJKYHQI-UHFFFAOYSA-N,O=C(OC)CCCCCCCCCCC,-4.69
-E-924,"o,p'-DDE",InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H,ZDYJWDIWLRZXDB-UHFFFAOYSA-N,ClC(=C(c1ccccc1Cl)c2ccc(cc2)Cl)Cl,-6.36
-E-925,Alizarin,"InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H",RGCKGOZRHPZPFP-UHFFFAOYSA-N,O=C(c(c(C(=O)c1c(O)c(O)cc2)ccc3)c3)c12,-2.78
-E-926,Difluron,"InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)",QQQYTWIFVNKMRW-UHFFFAOYSA-N,O=C(NC(=O)c(c(F)ccc1)c1F)Nc(ccc(c2)Cl)c2,-6.02
-E-927,"2-Phenyl-3,1-benzoxazin-4-one",InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)17-14(15-13)10-6-2-1-3-7-10/h1-9H,GWDYJKXSUSPLEA-UHFFFAOYSA-N,c1ccc2C(=O)N=C(c3ccccc3)Oc2c1,-4.61
-E-928,"o,p'-DDD","InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H",JWBOIMRXGHLCPP-UHFFFAOYSA-N,ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl,-6.51
-E-929,Flufenamic_Acid,"InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)",LPEPZBJOKDYZAD-UHFFFAOYSA-N,OC(=O)c1ccccc1Nc2cc(C(F)(F)F)ccc2,-4.36
-E-930,1-Anthranol,"InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H",AUKRYONWZHRJRE-UHFFFAOYSA-N,c1ccc2cc3ccccc3c(O)c2c1,-4.73
-E-931,Gentisin,"InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3",XOXYHGOIRWABTC-UHFFFAOYSA-N,Oc1ccc2Oc3cc(OC)cc(O)c3C(=O)c2c1,-2.93
-E-932,Dibenzamid,"InChI=1S/C14H11NO2/c16-13(11-7-3-1-4-8-11)15-14(17)12-9-5-2-6-10-12/h1-10H,(H,15,16,17)",ZHDORMMHAKXTPT-UHFFFAOYSA-N,c1ccccc1C(=O)NC(=O)c2ccccc2,-2.27
-E-933,Perfluidone,"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,Cc1cc(ccc1NS(=O)(=O)C(F)(F)F)S(=O)(=O)c2ccccc2,-3.8
-E-934,2-(4-Aminophenyl)-6-methyl-benzothiazole,"InChI=1S/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3",XRTJYEIMLZALBD-UHFFFAOYSA-N,N(c(c(S1)cc(c2)C)c2)=C1c(ccc(N)c3)c3,-3.68
-E-935,Khellin,"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,CC1=CC(=O)c2c(OC)c3ccoc3c(OC)c2O1,-2.4
-E-936,"4,7-Dimethyl-1,10-phenanthroline","InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3",JIVLDFFWTQYGSR-UHFFFAOYSA-N,n(c(c(c(c1)C)ccc2c(ccn3)C)c23)c1,-3.97
-E-937,"DL-1,2-Diphenylethanol","InChI=1S/C14H14O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14-15H,11H2",GBGXVCNOKWAMIP-UHFFFAOYSA-N,OC(c(cccc1)c1)Cc(cccc2)c2,-2.52
-E-938,Hydrobenzoin,"InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H",IHPDTPWNFBQHEB-UHFFFAOYSA-N,c1ccccc1C(O)C(O)c2ccccc2,-1.93
-E-939,Coumaphos,"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,S=P(OCC)(OCC)Oc1ccc2C(C)=C(Cl)C(=O)Oc2c1,-5.38
-E-940,Dialifos,"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,c1ccc2C(=O)N(C(CCl)SP(=S)(OCC)OCC)C(=O)c2c1,-6.34
-E-941,Reposal,"InChI=1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)",MKELYWOVSPVORM-UHFFFAOYSA-N,O=C1NC(=O)NC(=O)C1(CC)C2=CC(C3)CCC3C2,-2.64
-E-942,Anisomycin,"InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3",YKJYKKNCCRKFSL-UHFFFAOYSA-N,COc2ccc(CC1NCC(O)C1OC(C)=O)cc2,-1.61
-E-943,Siduron,"InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)",JXVIIQLNUPXOII-UHFFFAOYSA-N,CC1CCCCC1NC(=O)Nc2ccccc2,-4.11
-E-944,Karbutilate,"InChI=1S/C14H21N3O3/c1-14(2,3)16-13(19)20-11-8-6-7-10(9-11)15-12(18)17(4)5/h6-9H,1-5H3,(H,15,18)(H,16,19)",OWNAXTAAAQTBSP-UHFFFAOYSA-N,CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1,-2.93
-E-945,Bensulide,"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,CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1,-4.2
-E-946,Myristyl_Alcohol,"InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3",HLZKNKRTKFSKGZ-UHFFFAOYSA-N,C(O)CCCCCCCCCCCCC,-6.05
-E-947,Chlorflurecol-methyl,"InChI=1S/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17)",SVOAUHHKPGKPQK-UHFFFAOYSA-N,c1ccc2c3ccc(Cl)cc3C(O)(C(=O)O)c2c1,-4.18
-E-948,Liothyronine,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)",AUYYCJSJGJYCDS-UHFFFAOYSA-N,NC(Cc2cc(I)c(Oc1ccc(O)c(I)c1)c(I)c2)C(O)=O,-5.22
-E-949,Metiazinic_Acid,"InChI=1S/C15H13NO2S/c1-16-11-4-2-3-5-13(11)19-14-7-6-10(8-12(14)16)9-15(17)18/h2-8H,9H2,1H3,(H,17,18)",LMINNBXUMGNKMM-UHFFFAOYSA-N,c1ccc2Sc3ccc(CC(=O)O)cc3N(C)c2c1,-3.94
-E-950,Piroxicam,"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,CN2C(=C(O)c1ccccc1S2(=O)=O)C(=O)Nc3ccccn3,-4.16
-E-951,Xipamide,"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,c1c(S(=O)(=O)N)c(Cl)cc(O)c1C(=O)Nc2c(C)cccc2C,-3.79
-E-952,Mefenamic_Acid,"InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)",HYYBABOKPJLUIN-UHFFFAOYSA-N,OC(=O)c1ccccc1Nc2c(C)c(C)ccc2,-3.78
-E-953,Ancymidol,"InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3",HUTDUHSNJYTCAR-UHFFFAOYSA-N,COc1ccc(cc1)C(O)(C2CC2)c3cncnc3,-2.6
-E-954,Osthole,"InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3",MBRLOUHOWLUMFF-UHFFFAOYSA-N,COc1ccc2C=CC(=O)Oc2c1CC=C(C)C,-4.31
-E-955,Santonin,"InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3",XJHDMGJURBVLLE-UHFFFAOYSA-N,O=C(OC(C(C(C=CC1=O)(CC2)C)=C1C)C23)C3C,-3.09
-E-956,Acetohexamide,"InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)",VGZSUPCWNCWDAN-UHFFFAOYSA-N,O=C(NC(CCCC1)C1)NS(=O)(=O)c(ccc(c2)C(=O)C)c2,-2.06
-E-957,Meperidine,"InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3",XADCESSVHJOZHK-UHFFFAOYSA-N,CCOC(=O)C1(CCN(C)CC1)c2ccccc2,-1.89
-E-958,Metalaxyl,"InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3",ZQEIXNIJLIKNTD-UHFFFAOYSA-N,COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C,-1.6
-E-959,"d,l-Mepivacaine","InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)",INWLQCZOYSRPNW-UHFFFAOYSA-N,O=C(Nc(c(ccc1)C)c1C)C(N(CCC2)C)C2,-1.55
-E-960,Parethoxycaine,"InChI=1S/C15H23NO3/c1-4-16(5-2)11-12-19-15(17)13-7-9-14(10-8-13)18-6-3/h7-10H,4-6,11-12H2,1-3H3",OWWVHQUOYSPNNE-UHFFFAOYSA-N,c1cc(OCC)ccc1C(=O)OCCN(CC)CC,-2.71
-E-961,Sparteine,"InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2",SLRCCWJSBJZJBV-UHFFFAOYSA-N,C1CCN2CC(C3)C4CCCCN4CC3C2C1,-1.89
-E-962,Pentadecanoic_Acid,"InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)",WQEPLUUGTLDZJY-UHFFFAOYSA-N,O=C(O)CCCCCCCCCCCCCC,-4.31
-E-963,Metolazone,"InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)",AQCHWTWZEMGIFD-UHFFFAOYSA-N,CC2Nc1cc(Cl)c(cc1C(=O)N2c3ccccc3C)S(N)(=O)=O,-3.78
-E-964,Difenoxuron,"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,COc2ccc(Oc1ccc(NC(=O)N(C)C)cc1)cc2,-4.16
-E-965,Butacarb,"InChI=1S/C16H25NO2/c1-15(2,3)11-8-12(16(4,5)6)10-13(9-11)19-14(18)17-7/h8-10H,1-7H3,(H,17,18)",SLZWBCGZQRRUNG-UHFFFAOYSA-N,c1c(C(C)(C)C)cc(C(C)(C)C)cc1OC(=O)NC,-4.24
-E-966,Cetyl_Alcohol,"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,OCCCCCCCCCCCCCCCC,-7.26
-E-967,Bromopropylate,"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,C(O)(c1ccc(Br)cc1)(c2ccc(Br)cc2)C(=O)OC(C)C,-4.93
-E-968,Chloropropylate,"InChI=1S/C17H16Cl2O3/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",AXGUBXVWZBFQGA-UHFFFAOYSA-N,CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,-4.53
-E-969,Triflupromazine,"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,CN(C)CCCN2c1ccccc1Sc3ccc(C(F)(F)F)cc23,-5.3
-E-970,Piperine,"InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2",MXXWOMGUGJBKIW-UHFFFAOYSA-N,O=C(N(CCCC1)C1)C=CC=Cc(ccc(OCO2)c23)c3,-3.46
-E-971,Napropamide,"InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3",WXZVAROIGSFCFJ-UHFFFAOYSA-N,CCN(CC)C(=O)C(C)Oc1cccc2ccccc12,-3.57
-E-972,Scopolamine,"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,CN1C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,-0.48
-E-973,Hyoscyamine,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",RKUNBYITZUJHSG-UHFFFAOYSA-N,O=C(OC(CC(N(C1C2)C)C2)C1)C(c(cccc3)c3)CO,-1.91
-E-974,Butachlor,"InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3",HKPHPIREJKHECO-UHFFFAOYSA-N,CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC,-4.19
-E-975,Equilenin,"InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3",PDRGHUMCVRDZLQ-UHFFFAOYSA-N,c1c(O)cc2ccc3C4CCC(=O)C4(C)CCc3c2c1,-5.24
-E-976,Equilin,"InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3",WKRLQDKEXYKHJB-UHFFFAOYSA-N,c1c(O)cc2CC=C3C4CCC(=O)C4(C)CCC3c2c1,-5.28
-E-977,Thebainone_A,"InChI=1S/C18H21NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3-6,13-14,21H,7-10H2,1-2H3",SLJDAVMWFVYEFI-UHFFFAOYSA-N,c1c(OC)c(O)c2C3(C4)CC(=O)C=CC3C(N(C)C4)Cc2c1,-1.87
-E-978,Desipramine,"InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3",HCYAFALTSJYZDH-UHFFFAOYSA-N,CNCCCN2c1ccccc1CCc3ccccc23,-3.66
-E-979,alpha-Estradiol,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3",VOXZDWNPVJITMN-UHFFFAOYSA-N,c1c(O)cc2CCC3C4CCC(O)C4(C)CCC3c2c1,-4.84
-E-980,Cyhexatin,"InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;",UGCNRZFAUBJVPT-UHFFFAOYSA-N,C1CCC(CC1)[Sn](C2CCCCC2)C3CCCCC3.O,-5.59
-E-981,Stearic_Acid,"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,O=C(O)CCCCCCCCCCCCCCCCC,-5.68
-E-982,Warfarin,"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,c1ccc2C(O)=C(C(c3ccccc3)CC(=O)C)C(=O)Oc2c1,-3.89
-E-983,Kebuzone,"InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3",LGYTZKPVOAIUKX-UHFFFAOYSA-N,CC(=O)CCC1C(=O)N(c2ccccc2)N(c3ccccc3)C1=O,-3.27
-E-984,Cinchonidine,"InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2",KMPWYEUPVWOPIM-UHFFFAOYSA-N,OC(c(c(c(nc1)ccc2)c2)c1)C(N(CCC3C4C=C)C4)C3,-3.07
-E-985,Mepazine,"InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3",CBHCDHNUZWWAPP-UHFFFAOYSA-N,c1ccc2Sc3ccccc3N(CC4CN(C)CCC4)c2c1,-4.74
-E-986,Amitraz,"InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3",QXAITBQSYVNQDR-UHFFFAOYSA-N,CN(C=Nc1ccc(C)cc1C)C=Nc2ccc(C)cc2C,-5.47
-E-987,Methotrimeprazine,"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,c1ccc2Sc3ccc(OC)cc3N(CC(C)CN(C)C)c2c1,-4.22
-E-988,Adrenosterone,"InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3",RZRPTBIGEANTGU-UHFFFAOYSA-N,C1C(=O)C=C2CCC3C4CCC(=O)C4(C)CC(=O)C3C2(C)C1,-3.48
-E-989,Prasterone,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3",FMGSKLZLMKYGDP-UHFFFAOYSA-N,C1C(O)CC2=CCC3C4CCC(=O)C4(C)CCC3C2(C)C1,-4.12
-E-990,Androstane-17-one,"InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-16H,3-12H2,1-2H3",YJDYCULVYZDESB-UHFFFAOYSA-N,O=C1C2(C(C3CCC4C(C3CC2)(C)CCCC4)CC1)C,-6.7
-E-991,Androsterone,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3",QGXBDMJGAMFCBF-UHFFFAOYSA-N,C1C(O)CC2CCC3C4CCC(=O)C4(C)CCC3C2(C)C1,-4.4
-E-992,Hydroxyisoandrosterone,"InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3",PIXFHVWJOVNKQK-UHFFFAOYSA-N,C1C(O)CC2CCC3C4CCC(=O)C4(C)CC(O)C3C2(C)C1,-3.59
-E-993,Methoprene,"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,COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C,-5.19
-E-994,Amitriptyline,"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,CN(C)CCC=C2c1ccccc1CCc3ccccc23,-4.46
-E-995,Quinidine,"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,O(c(ccc(nccc1C(O)C(N(CCC2C3C=C)C3)C2)c14)c4)C,-3.37
-E-996,Ethinyl_Estradiol,"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,OC(C#C)(C(C(C(C(c(c(cc(O)c1)C2)c1)C3)C2)C4)(C3)C)C4,-4.3
-E-997,Ajmaline,"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,c1ccc2N(C)C3C4CC5C(CC)C(O)N4C(C56)CC3(C6O)c2c1,-2.82
-E-998,Cinmetacin,"InChI=1S/C21H19NO4/c1-14-17(13-21(24)25)18-12-16(26-2)9-10-19(18)22(14)20(23)11-8-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,25)",NKPPORKKCMYYTO-UHFFFAOYSA-N,c1c(OC)cc2c(CC(=O)O)c(C)n(C(=O)C=Cc3ccccc3)c2c1,-5.54
-E-999,Permethrin,"InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3",RLLPVAHGXHCWKJ-UHFFFAOYSA-N,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc3cccc(Oc2ccccc2)c3,-6.29
-E-1000,Demeclocycline,"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,c1cc(O)c2C(=O)C3=C(O)C4(O)C(=O)C(C(=O)N)=C(O)C(N(C)C)C4CC3C(O)c2c1Cl,-2.52
-E-1001,Pericyazine,"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,c1ccc2Sc3ccc(C(#N))cc3N(CCCN4CCC(O)CC4)c2c1,-3.98
-E-1002,Aldosterone,"InChI=1S/C21H28O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h8,13-15,17-19,22,25H,2-7,9-10H2,1H3",QUQBHBRVKLEOEI-UHFFFAOYSA-N,C1C(=O)C=C2CCC3C4CCC(C(=O)CO)C4(C5O)CC(O5)C3C2(C)C1,-3.85
-E-1003,"5,6-Dehydroisoandrosterone_Acetate","InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3",NCMZQTLCXHGLOK-UHFFFAOYSA-N,C1C(OC(=O)C)CC2=CCC3C4CCC(=O)C4(C)CCC3C2(C)C1,-4.46
-E-1004,Cortisone_Acetate,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3",ITRJWOMZKQRYTA-UHFFFAOYSA-N,CC(=O)OCC(=O)C3(O)CCC4C2CCC1=CC(=O)CCC1(C)C2C(=O)CC34C,-4
-E-1005,Pregnenolone,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3",ORNBQBCIOKFOEO-UHFFFAOYSA-N,C1C(O)CC2=CCC3C4CCC(C(=O)C)C4(C)CCC3C2(C)C1,-4.65
-E-1006,Chlortetracycline,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)",CYDMQBQPVICBEU-UHFFFAOYSA-N,O=C(N)C(=C(O)C(N(C)C)C(C1(O)C(O)=C(C2C(O)(c(c3c(O)cc4)c4Cl)C)C3=O)C2)C1=O,-2.88
-E-1007,Noscapine,"InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3",AKNNEGZIBPJZJG-UHFFFAOYSA-N,COc2ccc1C(OC(=O)c1c2OC)C4N(C)CCc5cc3OCOc3c(OC)c45,-3.14
-E-1008,Doxycycline,"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,CC3C2C(O)C1C(N(C)C)C(=C(C(N)=O)C(=O)C1(O)C(=C2C(=O)c4c(O)cccc34)O)O,-2.87
-E-1009,Testosterone_Propionate,"InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3",PDMMFKSKQVNJMI-UHFFFAOYSA-N,O=C(OC(C(C(C(C(C(C(=CC(=O)C1)C2)(C1)C)C3)C2)C4)(C3)C)C4)CC,-5.37
-E-1010,Rotenone,"InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3",JUVIOZPCNVVQFO-UHFFFAOYSA-N,COc5cc4OCC3Oc2c1CC(Oc1ccc2C(=O)C3c4cc5OC)C(C)=C,-4.42
-E-1011,Phenothrin,"InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3",SBNFWQZLDJGRLK-UHFFFAOYSA-N,CC(C)=CC3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C,-5.24
-E-1012,Delmadinone_Acetate,"InChI=1S/C23H27ClO4/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/h5,8,11-12,16-18H,6-7,9-10H2,1-4H3",CGBCCZZJVKUAMX-UHFFFAOYSA-N,O=C1C=C2C(Cl)=CC3C4CCC(C(=O)C)(OC(=O)C)C4(C)CCC3C2(C)C=C1,-4.95
-E-1013,Thiopropazate,"InChI=1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3",AIUHRQHVWSUTGJ-UHFFFAOYSA-N,CC(=O)OCCN4CCN(CCCN2c1ccccc1Sc3ccc(Cl)cc23)CC4,-4.7
-E-1014,Prednisolone-21-Trimethylacetate,"InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3",PHEOVVDXTQVHAZ-UHFFFAOYSA-N,O=C1C=C2CCC3C4CCC(O)(C(=O)COC(=O)C(C)(C)C)C4(C)CC(O)C3C2(C)C=C1,-4.58
-E-1015,Glycocholic_Acid,"InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)",RFDAIACWWDREDC-UHFFFAOYSA-N,O=C(NCC(=O)O)CCC(C(C(C(C(C(C(C(C1)CC(O)C2)(C2)C)C3)C1O)C4)(C3O)C)C4)C,-5.15
-E-1016,Rolitetracycline,"InChI=1S/C21H23NO6/c1-20(27)11-7-5-4-6-10(11)18(25)16-12(20)8-13-17(22(2)3)14(23)9-15(24)21(13,28)19(16)26/h4-7,9,12-13,17,23,26-28H,8H2,1-3H3",QMSHUERTGDUVNN-UHFFFAOYSA-N,c12C(=O)C3=C(O)C4(O)C(=O)C=C(O)C(N(C)C)C4CC3C(O)(C)c1cccc2,-1.42
-E-1017,Hydrocortisone_Tebutate,"InChI=1S/C27H40O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h12,18-20,23,29,32H,6-11,13-15H2,1-5H3",FNFPHNZQOKBKHN-UHFFFAOYSA-N,C1C(=O)C=C2CCC3C4CCC(O)(C(=O)COC(=O)CC(C)(C)C)C4(C)CC(O)C3C2(C)C1,-5.51
-E-1018,Natamycin,"InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)",NCXMLFZGDNKEPB-UHFFFAOYSA-N,O1C(C)C(O)C(N)C(O)C1OC2C=CC=CC=CC=CCC(C)OC(=O)C=CC(O3)C3CC(O)CC4(O)OC(C(C(=O)O)C(O)C4)C2,-3.21
-E-1019,3-methylpentane,"InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3",PFEOZHBOMNWTJB-UHFFFAOYSA-N,CCC(C)CC,-3.68
-E-1020,"2,4-dimethylpentane","InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3",BZHMBWZPUJHVEE-UHFFFAOYSA-N,CC(C)CC(C)C,-4.26
-E-1021,1-pentene,"InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3",YWAKXRMUMFPDSH-UHFFFAOYSA-N,CCCC=C,-2.68
-E-1022,cyclohexene,"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2",HGCIXCUEYOPUTN-UHFFFAOYSA-N,C1CC=CCC1,-2.59
-E-1023,"1,4-pentadiene","InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2",QYZLKGVUSQXAMU-UHFFFAOYSA-N,C=CCC=C,-2.09
-E-1024,cycloheptatriene,"InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2",CHVJITGCYZJHLR-UHFFFAOYSA-N,C1=CC=CC=CC1,-2.15
-E-1025,1-octyne,"InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3",UMIPWJGWASORKV-UHFFFAOYSA-N,CCCCCCC#C,-3.66
-E-1026,ethylbenzene,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,c1ccccc1CC,-2.77
-E-1027,"1,3,5-trimethylbenzene","InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3",AUHZEENZYGFFBQ-UHFFFAOYSA-N,c1c(C)cc(C)cc1C,-3.4
-E-1028,indane,"InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2",PQNFLJBBNBOBRQ-UHFFFAOYSA-N,c(c(ccc1)CC2)(c1)C2,-3.04
-E-1029,isobutylbenzene,"InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",KXUHSQYYJYAXGZ-UHFFFAOYSA-N,c1ccccc1CC(C)C,-4.12
-E-1030,n-hexylbenzene,"InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3",LTEQMZWBSYACLV-UHFFFAOYSA-N,c1ccccc1CCCCCC,-5.21
-E-1031,bibenzyl,"InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2",QWUWMCYKGHVNAV-UHFFFAOYSA-N,c1ccccc1CCc2ccccc2,-4.62
-E-1032,1-ethylnaphthalene,"InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3",ZMXIYERNXPIYFR-UHFFFAOYSA-N,c1ccc2ccccc2c1CC,-4.17
-E-1033,"1,3-dimethylnaphthalene","InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3",QHJMFSMPSZREIF-UHFFFAOYSA-N,c1c(C)cc2ccccc2c1C,-4.29
-E-1034,anthracene,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,c(c(ccc1)cc(c2ccc3)c3)(c1)c2,-6.35
-E-1035,"9,10-dimethylanthracene","InChI=1S/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H3",JTGMTYWYUZDRBK-UHFFFAOYSA-N,Cc2c1ccccc1c(C)c3ccccc23,-6.57
-E-1036,naphthacene,InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H,IFLREYGFSNHWGE-UHFFFAOYSA-N,c(c(cc(c1ccc2)c2)cc(c3ccc4)c4)(c1)c3,-8.6
-E-1037,chrysene,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,c1ccc2ccc3c4ccccc4ccc3c2c1,-8.06
-E-1038,"1,7-phenantroline",InChI=1S/C12H8N2/c1-2-4-10-9(3-1)5-6-11-12(10)14-8-7-13-11/h1-8H,YUFRAQHYKKPYLH-UHFFFAOYSA-N,c1ccc2ccc3nccnc3c2c1,-2.68
-E-1039,6-aminochrysene,"InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2",KIVUHCNVDWYUNP-UHFFFAOYSA-N,Nc3cc2c1ccccc1ccc2c4ccccc34,-6.2
-E-1040,3-methylcholanthrene,"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,c(c(ccc1C)cc(c2ccc3cccc4)c34)(c1CC5)c25,-7.92
-E-1041,dibromomethane,InChI=1S/CH2Br2/c2-1-3/h1H2,FJBFPHVGVWTDIP-UHFFFAOYSA-N,BrCBr,-1.17
-E-1042,tetrachloromethane,"InChI=1S/CCl4/c2-1(3,4)5",VZGDMQKNWNREIO-UHFFFAOYSA-N,ClC(Cl)(Cl)Cl,-2.31
-E-1043,"1,2-dichloroethane",InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2,WSLDOOZREJYCGB-UHFFFAOYSA-N,ClCCCl,-1.06
-E-1044,"1,1,2,2-tetrachloroethane",InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H,QPFMBZIOSGYJDE-UHFFFAOYSA-N,ClC(Cl)C(Cl)Cl,-1.74
-E-1045,1-chloropropane,"InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3",SNMVRZFUUCLYTO-UHFFFAOYSA-N,CCCCl,-1.47
-E-1046,2-iodopropane,"InChI=1S/C3H7I/c1-3(2)4/h3H,1-2H3",FMKOJHQHASLBPH-UHFFFAOYSA-N,CC(I)C,-2.09
-E-1047,"1,2-dibromopropane","InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3",XFNJYAKDBJUJAJ-UHFFFAOYSA-N,BrCC(Br)C,-2.15
-E-1048,1-bromobutane,"InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3",MPPPKRYCTPRNTB-UHFFFAOYSA-N,BrCCCC,-2.37
-E-1049,"2,3-dichlorobutane","InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3",RMISVOPUIFJTEO-UHFFFAOYSA-N,CC(Cl)C(Cl)C,-2.7
-E-1050,1-bromo-3-methylbutane,"InChI=1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3",YXZFFTJAHVMMLF-UHFFFAOYSA-N,BrCCC(C)C,-2.89
-E-1051,1-bromooctane,"InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3",VMKOFRJSULQZRM-UHFFFAOYSA-N,CCCCCCCCBr,-5.06
-E-1052,1-bromoheptane,"InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3",LSXKDWGTSHCFPP-UHFFFAOYSA-N,CCCCCCCBr,-4.43
-E-1053,"1,2-dibromoethylene",InChI=1S/C2H2Br2/c3-1-2-4/h1-2H,UWTUEMKLYAGTNQ-UHFFFAOYSA-N,BrC=CBr,-1.32
-E-1054,heptachlor,"InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H",FRCCEHPWNOQAEU-UHFFFAOYSA-N,ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,-6.32
-E-1055,hexachlorobutadiene,InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10,RWNKSTSCBHKHTB-UHFFFAOYSA-N,ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl,-4.91
-E-1056,bromobenzene,InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H,QARVLSVVCXYDNA-UHFFFAOYSA-N,c1ccccc1Br,-2.55
-E-1057,1-bromo-2-chlorobenzene,InChI=1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H,QBELEDRHMPMKHP-UHFFFAOYSA-N,c1cccc(Cl)c1Br,-3.19
-E-1058,"1,3-dibromobenzene",InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H,JSRLURSZEMLAFO-UHFFFAOYSA-N,c1ccc(Br)cc1Br,-3.54
-E-1059,"1,2,4-tribromobenzene",InChI=1S/C6H3Br3/c7-4-1-2-5(8)6(9)3-4/h1-3H,FWAJPSIPOULHHH-UHFFFAOYSA-N,c1cc(Br)cc(Br)c1Br,-4.5
-E-1060,pentachlorobenzene,InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,CEOCDNVZRAIOQZ-UHFFFAOYSA-N,c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,-5.65
-E-1061,m-difluorobenzene,InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H,UEMGWPRHOOEKTA-UHFFFAOYSA-N,c1ccc(F)cc1F,-2
-E-1062,4-chlorobiphenyl,InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,FPWNLURCHDRMHC-UHFFFAOYSA-N,c1ccccc1c2ccc(Cl)cc2,-5.2
-E-1063,"2,4'-PCB",InChI=1S/C12H8Cl2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,UFNIBRDIUNVOMX-UHFFFAOYSA-N,c1cc(Cl)ccc1c2c(Cl)cccc2,-5.28
-E-1064,"2,2',5-PCB",InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H,DCMURXAZTZQAFB-UHFFFAOYSA-N,c1cccc(Cl)c1c2c(Cl)ccc(Cl)c2,-6.02
-E-1065,"2',3,4-PCB",InChI=1S/C12H7Cl3/c13-10-4-2-1-3-9(10)8-5-6-11(14)12(15)7-8/h1-7H,RIMXLXBUOQMDHV-UHFFFAOYSA-N,c1cc(Cl)c(Cl)cc1c2c(Cl)cccc2,-6.29
-E-1066,"2,3,4,5-PCB",InChI=1S/C12H6Cl4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h1-6H,HLQDGCWIOSOMDP-UHFFFAOYSA-N,c1ccccc1c2c(Cl)c(Cl)c(Cl)c(Cl)c2,-7.16
-E-1067,"2,2',5,6'-PCB",InChI=1S/C12H6Cl4/c13-7-4-5-9(14)8(6-7)12-10(15)2-1-3-11(12)16/h1-6H,SFTUSTXGTCCSHX-UHFFFAOYSA-N,c1c(Cl)ccc(Cl)c1c2c(Cl)cccc2Cl,-6.8
-E-1068,"2,2',3,4,5'-PCB",InChI=1S/C12H5Cl5/c13-6-1-3-9(14)8(5-6)7-2-4-10(15)12(17)11(7)16/h1-5H,OPKYDBFRKPQCBS-UHFFFAOYSA-N,c1c(Cl)ccc(Cl)c1c2c(Cl)c(Cl)c(Cl)cc2,-7.91
-E-1069,"2,3,4,5,6-PCB",InChI=1S/C12H5Cl5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h1-5H,GGMPTLAAIUQMIE-UHFFFAOYSA-N,Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1c2ccccc2,-7.92
-E-1070,"2,2',3,4,5,5'-PCB",InChI=1S/C12H4Cl6/c13-5-1-2-8(14)6(3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H,UCLKLGIYGBLTSM-UHFFFAOYSA-N,c1c(Cl)ccc(Cl)c1c2c(Cl)c(Cl)c(Cl)c(Cl)c2,-7.68
-E-1071,"2,2',3,3',4,4'-PCB",InChI=1S/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H,BTAGRXWGMYTPBY-UHFFFAOYSA-N,c1cc(Cl)c(Cl)c(Cl)c1c2c(Cl)c(Cl)c(Cl)cc2,-8.01
-E-1072,"2,2',3,3',5,5',6,6'-PCB",InChI=1S/C12H2Cl8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H,JPOPEORRMSDUIP-UHFFFAOYSA-N,Clc1c(Cl)cc(Cl)c(Cl)c1c2c(Cl)c(Cl)cc(Cl)c2Cl,-9.15
-E-1073,"p,p'-DDD","InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H",AHJKRLASYNVKDZ-UHFFFAOYSA-N,ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,-7.2
-E-1074,2-bromonaphthalene,InChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,APSMUYYLXZULMS-UHFFFAOYSA-N,c(c(ccc1Br)ccc2)(c2)c1,-4.4
-E-1075,2-pentanol,"InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3",JYVLIDXNZAXMDK-UHFFFAOYSA-N,CCCC(O)C,-0.29
-E-1076,"2,2-dimethyl-1-propanol","InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3",KPSSIOMAKSHJJG-UHFFFAOYSA-N,OCC(C)(C)C,-0.4
-E-1077,"2,3-dimethylbutanol","InChI=1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3",SXSWMAUXEHKFGX-UHFFFAOYSA-N,CC(C)C(C)CO,-0.39
-E-1078,4-methyl-1-pentanol,"InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3",PCWGTDULNUVNBN-UHFFFAOYSA-N,CC(C)CCCO,-1.14
-E-1079,"3,3-dimethyl-2-butanol","InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3",DFOXKPDFWGNLJU-UHFFFAOYSA-N,OC(C(C)(C)C)C,-0.62
-E-1080,2-heptanol,"InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3",CETWDUZRCINIHU-UHFFFAOYSA-N,OC(CCCCC)C,-1.55
-E-1081,"2,4-dimethyl-1-pentanol","InChI=1S/C7H16O/c1-6(2)4-7(3)5-8/h6-8H,4-5H2,1-3H3",OVOVDHYEOQJKMD-UHFFFAOYSA-N,OCC(C)CC(C)C,-1.6
-E-1082,"2,4-dimethyl-3-pentanol","InChI=1S/C7H16O/c1-5-7(4,8)6(2)3/h6,8H,5H2,1-4H3",RFZHJHSNHYIRNE-UHFFFAOYSA-N,CC(C)C(O)(C)CC,-1.22
-E-1083,"2,3,3-trimethyl-2-butanol","InChI=1S/C7H16O/c1-6(2,3)7(4,5)8/h8H,1-5H3",OKXVARYIKDXAEO-UHFFFAOYSA-N,CC(O)(C)C(C)(C)C,-0.72
-E-1084,3-methyl-3-heptanol,"InChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3",PQOSNJHBSNZITJ-UHFFFAOYSA-N,CCC(C)(O)CCCC,-1.6
-E-1085,1-decanol,"InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3",MWKFXSUHUHTGQN-UHFFFAOYSA-N,OCCCCCCCCCC,-3.63
-E-1086,p-methylbenzyl_alcohol,"InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3",KMTDMTZBNYGUNX-UHFFFAOYSA-N,OCc(ccc(c1)C)c1,-1.2
-E-1087,"1,2-benzenediol","InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",YCIMNLLNPGFGHC-UHFFFAOYSA-N,Oc(c(O)ccc1)c1,0.62
-E-1088,m-cresol,"InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3",RLSSMJSEOOYNOY-UHFFFAOYSA-N,c1ccc(C)cc1O,-0.68
-E-1089,thymol,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",MGSRCZKZVOBKFT-UHFFFAOYSA-N,Oc(c(ccc1C)C(C)C)c1,-2.22
-E-1090,2-naphthol,"InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H",JWAZRIHNYRIHIV-UHFFFAOYSA-N,Oc(ccc(c1ccc2)c2)c1,-2.28
-E-1091,butanal,"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3",ZTQSAGDEMFDKMZ-UHFFFAOYSA-N,CCCC=O,-0.01
-E-1092,nonanal,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3",GYHFUZHODSMOHU-UHFFFAOYSA-N,O=CCCCCCCCC,-3.17
-E-1093,furfural,InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H,HYBBIBNJHNGZAN-UHFFFAOYSA-N,O=CC(OC=C1)=C1,-0.1
-E-1094,cyclohexanone,InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2,JHIVVAPYMSGYDF-UHFFFAOYSA-N,O=C(CCCC1)C1,-0.6
-E-1095,2-nonanone,"InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3",VKCYHJWLYTUGCC-UHFFFAOYSA-N,O=C(CCCCCCC)C,-2.58
-E-1096,"2,5-cyclohexadiene-1,4-dione",InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H,AZQWKYJCGOJGHM-UHFFFAOYSA-N,C1(=O)C=CC(=O)C=C1,-0.99
-E-1097,benzophenone,InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,RWCCWEUUXYIKHB-UHFFFAOYSA-N,O=C(c(cccc1)c1)c(cccc2)c2,-3.12
-E-1098,succinic_acid,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",KDYFGRWQOYBRFD-UHFFFAOYSA-N,O=C(O)CCC(=O)O,-0.2
-E-1099,caprinic_acid,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",GHVNFZFCNZKVNT-UHFFFAOYSA-N,CCCCCCCCCC(=O)O,-3.44
-E-1100,m-toluic_acid,"InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)",GPSDUZXPYCFOSQ-UHFFFAOYSA-N,O=C(O)c(cccc1C)c1,-2.14
-E-1101,cinnamic_acid,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",WBYWAXJHAXSJNI-UHFFFAOYSA-N,O=C(O)C=Cc(cccc1)c1,-2.48
-E-1102,1-naphthaceneacetic_acid,"InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)",PRPINYUDVPFIRX-UHFFFAOYSA-N,O=C(O)Cc(c(c(ccc1)cc2)c1)c2,-2.65
-E-1103,diphenylacetic_acid,"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,O=C(O)C(c(cccc1)c1)c(cccc2)c2,-3.22
-E-1104,tetradecanoic_acid,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",TUNFSRHWOTWDNC-UHFFFAOYSA-N,O=C(O)CCCCCCCCCCCCC,-5.33
-E-1105,ethyl_formate,"InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3",WBJINCZRORDGAQ-UHFFFAOYSA-N,O=COCC,0.15
-E-1106,ethyl_propionate,"InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3",FKRCODPIKNYEAC-UHFFFAOYSA-N,O=C(OCC)CC,-0.66
-E-1107,ethyl_butyrate,"InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3",OBNCKNCVKJNDBV-UHFFFAOYSA-N,O=C(OCC)CCC,-1.28
-E-1108,propyl_butyrate,"InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3",HUAZGNHGCJGYNP-UHFFFAOYSA-N,O=C(OCCC)CCC,-1.92
-E-1109,ethyl_capronate,"InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3",SHZIWNPUGXLXDT-UHFFFAOYSA-N,O=C(OCC)CCCCC,-2.31
-E-1110,ethyl_nonanoate,"InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3",BYEVBITUADOIGY-UHFFFAOYSA-N,O=C(OCC)CCCCCCCC,-3.8
-E-1111,methyl_benzoate,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",QPJVMBTYPHYUOC-UHFFFAOYSA-N,O=C(OC)c(cccc1)c1,-1.85
-E-1112,dibutyl_phthalate,"InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3",DOIRQSBPFJWKBE-UHFFFAOYSA-N,O=C(OCCCC)c(c(ccc1)C(=O)OCCCC)c1,-4.4
-E-1113,diethyl_ether,"InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",RTZKZFJDLAIYFH-UHFFFAOYSA-N,CCOCC,-0.09
-E-1114,methyl_t-butyl_ether,"InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3",BZLVMXJERCGZMT-UHFFFAOYSA-N,COC(C)(C)C,-0.24
-E-1115,propyl_isopropyl_ether,"InChI=1S/C6H14O/c1-4-5-7-6(2)3/h6H,4-5H2,1-3H3",JIEJJGMNDWIGBJ-UHFFFAOYSA-N,CCCOC(C)C,-1.34
-E-1116,anisole,"InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3",RDOXTESZEPMUJZ-UHFFFAOYSA-N,c1ccccc1OC,-1.85
-E-1117,styrene_oxide,"InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2",AWMVMTVKBNGEAK-UHFFFAOYSA-N,O(C1c(cccc2)c2)C1,-1.6
-E-1118,2-butoxyethanol,"InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3",POAOYUHQDCAZBD-UHFFFAOYSA-N,CCCCOCCO,-0.42
-E-1119,hydrocortisone,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3",JYGXADMDTFJGBT-UHFFFAOYSA-N,O=C(C(O)(C(C(C(C(C(C(=CC(=O)C1)C2)(C1)C)C3O)C2)C4)(C3)C)C4)CO,-2.97
-E-1120,prednisolone_acetate,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3",LRJOMUJRLNCICJ-UHFFFAOYSA-N,O=C1C=C2CCC3C4CCC(O)(C(=O)COC(=O)C)C4(C)CC(O)C3C2(C)C=C1,-4.37
-E-1121,deoxycorticosterone,"InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3",ZESRJSPZRDMNHY-UHFFFAOYSA-N,C1C(=O)C=C2CCC3C4CCC(C(=O)CO)C4(C)CCC3C2(C)C1,-3.75
-E-1122,fludrocortisone,"InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3",AAXVEMMRQDVLJB-UHFFFAOYSA-N,CC12CC(O)C3(F)C(CCC4=CC(=O)CCC43C)C2CCC1(O)C(=O)CO,-3.43
-E-1123,salicylic_acid,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",YGSDEFSMJLZEOE-UHFFFAOYSA-N,O=C(O)c(c(O)ccc1)c1,-1.82
-E-1124,ethyl-p-hydroxybenzoate,"InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",NUVBSKCKDOMJSU-UHFFFAOYSA-N,O=C(OCC)c(ccc(O)c1)c1,-2.35
-E-1125,2-chlorophenol,"InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H",ISPYQTSUDJAMAB-UHFFFAOYSA-N,Oc(c(ccc1)Cl)c1,-1.06
-E-1126,"2,4,6-trichlorophenol","InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",LINPIYWFGCPVIE-UHFFFAOYSA-N,Clc1cc(Cl)cc(Cl)c1O,-2.34
-E-1127,p-chlorobenzoic_acid,"InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)",XRHGYUZYPHTUJZ-UHFFFAOYSA-N,O=C(O)c(ccc(c1)Cl)c1,-3.31
-E-1128,dieldrin,"InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2",DFBKLUNHFCTMDC-UHFFFAOYSA-N,ClC4=C(Cl)C5(Cl)C3C1CC(C2OC12)C3C4(Cl)C5(Cl)Cl,-6.29
-E-1129,hexylamine,"InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3",BMVXCPBXGZKUPN-UHFFFAOYSA-N,CCCCCCN,-1.1
-E-1130,n-octylamine,"InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3",IOQPZZOEVPZRBK-UHFFFAOYSA-N,CCCCCCCCN,-2.75
-E-1131,N-methylaniline,"InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3",AFBPFSWMIHJQDM-UHFFFAOYSA-N,c1ccccc1NC,-1.28
-E-1132,"N,N-dimethylaniline","InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3",JLTDJTHDQAWBAV-UHFFFAOYSA-N,c1ccccc1N(C)C,-1.92
-E-1133,1-naphthylamine,"InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2",RUFPHBVGCFYCNW-UHFFFAOYSA-N,c(c(c(N)cc1)ccc2)(c2)c1,-1.92
-E-1134,"2,5-dimethylpyridine","InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3",XWKFPIODWVPXLX-UHFFFAOYSA-N,c1c(C)ccc(C)n1,0.4
-E-1135,isoquinoline,InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H,AWJUIBRHMBBTKR-UHFFFAOYSA-N,c1ccc2cnccc2c1,-1.45
-E-1136,nicotinic_acid,"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)",PVNIIMVLHYAWGP-UHFFFAOYSA-N,O=C(O)c(cccn1)c1,-0.84
-E-1137,"2,6-dimethyl-4-pyrimidinamine","InChI=1S/C6H9N3/c1-4-3-6(7)9-5(2)8-4/h3H,1-2H3,(H2,7,8,9)",BJJDXAFKCKSLTE-UHFFFAOYSA-N,n1c(C)nc(N)cc1C,-1.28
-E-1138,2-mercaptobenzothiazole,"InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",YXIWHUQXZSMYRE-UHFFFAOYSA-N,N(c(c(S1)ccc2)c2)=C1S,-3.18
-E-1139,6-hydroxyquinoline,"InChI=1S/C9H7NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-6,11H",OVYWMEWYEJLIER-UHFFFAOYSA-N,c1c(O)cc2cccnc2c1,-2.16
-E-1140,metharbital,"InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)",FWJKNZONDWOGMI-UHFFFAOYSA-N,CCC1(CC)C(=O)NC(=O)N(C)C1=O,-2.23
-E-1141,atropine,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",RKUNBYITZUJHSG-UHFFFAOYSA-N,O=C(OC(CC(N(C1C2)C)C2)C1)C(c(cccc3)c3)CO,-2.12
-E-1142,furosemide,"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,NS(=O)(=O)c2cc(C(O)=O)c(NCc1ccco1)cc2Cl,-3.66
-E-1143,amobarbital,"InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",VIROVYVQCGLCII-UHFFFAOYSA-N,CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,-2.57
-E-1144,perphenazine,"InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2",RGCVKNLCSQQDEP-UHFFFAOYSA-N,OCCN4CCN(CCCN2c1ccccc1Sc3ccc(Cl)cc23)CC4,-4.16
-E-1145,acetazoleamide,"InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)",BZKPWHYZMXOIDC-UHFFFAOYSA-N,CC(=O)Nc1nnc(S(=O)(=O)N)s1,-2.36
-E-1146,arecoline,"InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3",HJJPJSXJAXAIPN-UHFFFAOYSA-N,CN1CCC=C(C(=O)OC)C1,0.81
-E-1147,probarbital,"InChI=1S/C9H14N2O3/c1-4-9(5(2)3)6(12)10-8(14)11-7(9)13/h5H,4H2,1-3H3,(H2,10,11,12,13,14)",HHLXJTDUHFBYAU-UHFFFAOYSA-N,C(C)(C)C1(CC)C(=O)NC(=O)NC1(=O),-2.21
-E-1148,sulfamethoxypyridazine,"InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)",VLYWMPOKSSWJAL-UHFFFAOYSA-N,COc2ccc(NS(=O)(=O)c1ccc(N)cc1)nn2,-3.28
-E-1149,disulfiram,"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,N(C(=S)SSC(N(CC)CC)=S)(CC)CC,-4.86
-E-1150,griseofulvin,"InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3",DDUHZTYCFQRHIY-UHFFFAOYSA-N,COC1=CC(=O)CC(C)C13Oc2c(Cl)c(OC)cc(OC)c2C3=O,-4.61
-E-1151,sulfamethiazole,"InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)",VACCAVUAMIDAGB-UHFFFAOYSA-N,c1cc(N)ccc1S(=O)(=O)Nc2nnc(C)s2,-2.41
-E-1152,brucine,"InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3",RRKTZKIUPZVBMF-UHFFFAOYSA-N,O=C(N(c(c(C1(C(N(C2)CC(C3C4C5OC6)=C6)C3)C2)cc(OC)c7OC)c7)C14)C5,-2.09
-E-1153,sulfaphenazole,"InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2",QWCJHSGMANYXCW-UHFFFAOYSA-N,Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2c3ccccc3,-2.32
-E-1154,sulfamethoxazole,"InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",JLKIGFTWXXRPMT-UHFFFAOYSA-N,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,-2.62
-E-1155,sulfamethomidine,"InChI=1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)",QKLSCPPJEVXONT-UHFFFAOYSA-N,c1cc(N)ccc1S(=O)(=O)Nc2nc(C)nc(OC)c2,-2.54
-E-1156,oxycarboxin,"InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)",AMEKQAFGQBKLKX-UHFFFAOYSA-N,c1ccccc1NC(=O)C2=C(C)OCCS2(=O)=O,-2.43
-E-1157,ketoprofen,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)",DKYWVDODHFEZIM-UHFFFAOYSA-N,O=C(c(cccc1C(C(=O)O)C)c1)c(cccc2)c2,-3.7
-E-1158,caffeine,"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,CN1C(=O)N(C)c2ncn(C)c2C1(=O),-0.97
-E-1159,cycloheximide,"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,CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2,-1.13
-E-1160,piperazine,"InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2",GLUUGHFHXGJENI-UHFFFAOYSA-N,N(CCNC1)C1,1.07
-E-1161,hydantoin,"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)",WJRBRSLFGCUECM-UHFFFAOYSA-N,O=C(NCC1=O)N1,-0.4
-E-1162,N-methylpyrrolidone,"InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3",SECXISVLQFMRJM-UHFFFAOYSA-N,O=C1CCCN1C,1
-E-1163,2-aminophenol,"InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2",CDAWCLOXVUBKRW-UHFFFAOYSA-N,c1cccc(N)c1O,-0.72
-E-1164,O-ethyl_carbamate,"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)",JOYRKODLDBILNP-UHFFFAOYSA-N,O=C(OCC)N,0.85
-E-1165,carbaryl,"InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)",CVXBEEMKQHEXEN-UHFFFAOYSA-N,O=C(Oc(c(c(ccc1)cc2)c1)c2)NC,-3.28
-E-1166,N-methylurea,"InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)",XGEGHDBEHXKFPX-UHFFFAOYSA-N,O=C(NC)N,1.13
-E-1167,acrylamide,"InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)",HRPVXLWXLXDGHG-UHFFFAOYSA-N,O=C(N)C=C,0.96
-E-1168,4-hydroxyacetanilide,"InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)",RZVAJINKPMORJF-UHFFFAOYSA-N,O=C(Nc(ccc(O)c1)c1)C,-1.03
-E-1169,2-nitropropane,"InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3",FGLBSLMDCBOPQK-UHFFFAOYSA-N,CC(C)N(=O)=O,-0.62
-E-1170,1-nitronaphthalene,InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,RJKGJBPXVHTNJL-UHFFFAOYSA-N,O=N(=O)c(c(c(ccc1)cc2)c1)c2,-3.54
-E-1171,4-nitrobenzoic_acid,"InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)",OTLNPYWUJOZPPA-UHFFFAOYSA-N,O=C(O)c(ccc(N(=O)=O)c1)c1,-2.8
-E-1172,2-nitroaniline,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2",DPJCXCZTLWNFOH-UHFFFAOYSA-N,O=N(=O)c(c(N)ccc1)c1,-1.96
-E-1173,3-chloroaniline,"InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2",PNPCRKVUWYDDST-UHFFFAOYSA-N,Clc(cccc1N)c1,-1.37
-E-1174,chlorothalonil,InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14,CRQQGFGUEAVUIL-UHFFFAOYSA-N,N#Cc(c(c(c(c1C#N)Cl)Cl)Cl)c1Cl,-5.64
-E-1175,fluridone,"InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3",YWBVHLJPRPCRSD-UHFFFAOYSA-N,CN1C=C(c2ccccc2)C(=O)C(c3cc(C(F)(F)F)ccc3)=C1,-4.44
-E-1176,propanil,"InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)",LFULEKSKNZEWOE-UHFFFAOYSA-N,CCC(=O)Nc1ccc(Cl)c(Cl)c1,-3
-E-1177,alachlor,"InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3",XCSGPAVHZFQHGE-UHFFFAOYSA-N,CCc1cccc(CC)c1N(COC)C(=O)CCl,-3.26
-E-1178,ethanethiol,"InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3",DNJIEGIFACGWOD-UHFFFAOYSA-N,CCS,-0.6
-E-1179,thiourea,"InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)",UMGDCJDMYOKAJW-UHFFFAOYSA-N,NC(=S)N,0.32
-E-1180,asulam,"InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)",VGPYEHKOIGNJKV-UHFFFAOYSA-N,COC(=O)NS(=O)(=O)c1ccc(N)cc1,-1.66
-E-1181,trichlorfon,"InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3",NFACJZMKEDPNKN-UHFFFAOYSA-N,COP(=O)(OC)C(O)C(Cl)(Cl)Cl,-0.22
-E-1182,fenthion,"InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3",PNVJTZOFSHSLTO-UHFFFAOYSA-N,COP(=S)(OC)Oc1ccc(SC)c(C)c1,-4.57
-E-1183,fenitrothion,"InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3",ZNOLGFHPUIJIMJ-UHFFFAOYSA-N,COP(=S)(OC)Oc1ccc(N(=O)=O)c(C)c1,-4.04
-E-1184,iodofenphos,"InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3",LFVLUOAHQIVABZ-UHFFFAOYSA-N,COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl,-6.62
-E-1185,hyocholic_acid,"InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)",DKPMWHFRUGMUKF-UHFFFAOYSA-N,C1C(O)CC2C(O)C(O)C3C4CCC(C(C)CCC(=O)O)C4(C)CCC3C2(C)C1,-4.35
-E-1186,2-methylpiperazine,"InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3",JOMNTHCQHJPVAZ-UHFFFAOYSA-N,N(CCNC1C)C1,0.74
-E-1187,4-chloroacetanilide,"InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)",GGUOCFNAWIODMF-UHFFFAOYSA-N,O=C(Nc(ccc(c1)Cl)c1)C,-2.84
-E-1188,4-nitroacetanilide,"InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)",NQRLPDFELNCFHW-UHFFFAOYSA-N,O=C(Nc(ccc(c1)N(=O)=O)c1)C,-2.69
-E-1189,hydrastine,"InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3",JZUTXVTYJDCMDU-UHFFFAOYSA-N,COc2ccc1C(OC(=O)c1c2OC)C4N(C)CCc5cc3OCOc3cc45,-4.11
-E-1190,nitrazepam,"InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)",KJONHKAYOJNZEC-UHFFFAOYSA-N,O=C3CN=C(c1ccccc1)c2cc(ccc2N3)N(=O)=O,-3.8
-E-1191,dichlorphen,"InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2",MDNWOSOZYLHTCG-UHFFFAOYSA-N,Oc(c(cc(c1)Cl)Cc(c(O)ccc2Cl)c2)c1,-3.95
-E-1192,picloram,"InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)",NQQVFXUMIDALNH-UHFFFAOYSA-N,Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl,-2.75
-E-1193,L-tyrosine,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",OUYCCCASQSFEME-UHFFFAOYSA-N,O=C(O)C(N)Cc(ccc(O)c1)c1,-2.57
-E-1194,diallate,"InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3",SPANOECCGNXGNR-UHFFFAOYSA-N,CC(C)N(C(C)C)C(=O)SCC(Cl)=CCl,-4.08
-E-1195,butyl-p-hydroxybenzoate,"InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3",QFOHBWFCKVYLES-UHFFFAOYSA-N,O=C(OCCCC)c(ccc(O)c1)c1,-2.72
-E-1196,propyl_gallate,"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,O=C(OCCC)c(cc(O)c(O)c1O)c1,-1.78
-E-1197,pentyl-4-aminobenzoate,"InChI=1S/C12H17NO2/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h5-8H,2-4,9,13H2,1H3",VKYWCHMXHQTCJQ-UHFFFAOYSA-N,CCCCCOC(=O)c1ccc(N)cc1,-3.26
-E-1198,p-terphenyl,InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H,XJKSTNDFUHDPQJ-UHFFFAOYSA-N,c(c(cccc1)c1)(ccc(c(cccc2)c2)c3)c3,-7.11
-E-1199,2-chloroacetanilide,"InChI=1S/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)",KNVQTRVKSOEHPU-UHFFFAOYSA-N,O=C(Nc(c(ccc1)Cl)c1)C,-1.4
-E-1200,coniine,"InChI=1S/C7H15N/c1-2-7-5-3-4-6-8-7/h7-8H,2-6H2,1H3",QBBKKFZGCDJDQK-UHFFFAOYSA-N,N(C(CCC1)CC)C1,-1.5
-E-1201,estragole,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3",ZFMSMUAANRJZFM-UHFFFAOYSA-N,O(c(ccc(c1)CC=C)c1)C,-2.92
-E-1202,tetrachloroguaiacol,"InChI=1S/C7H4Cl4O2/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h12H,1H3",YZZVKLJKDFFSFL-UHFFFAOYSA-N,Clc1c(Cl)c(Cl)c(Cl)c(O)c1OC,-4.02
-E-1203,Rhodanine,"InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)",KIWUVOGUEXMXSV-UHFFFAOYSA-N,O=C(NC(=S)S1)C1,-1.77
-E-1204,Cytosine,"InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)",OPTASPLRGRRNAP-UHFFFAOYSA-N,N1C(=O)N=C(N)C=C1,-1.14
-E-1205,L-Asparagine,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",DCXYFEDJOCDNAF-UHFFFAOYSA-N,O=C(O)C(N)CC(=O)N,-0.74
-E-1206,Diethyl_Sulfone,"InChI=1S/C4H10O2S/c1-3-7(5,6)4-2/h3-4H2,1-2H3",MBDUIEKYVPVZJH-UHFFFAOYSA-N,CCS(=O)(=O)CC,0.04
-E-1207,4-Hydroxypyridine,"InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)",GCNTZFIIOFTKIY-UHFFFAOYSA-N,n1ccc(O)cc1,1.02
-E-1208,6-Methyluracil,"InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)",SHVCSCWHWMSGTE-UHFFFAOYSA-N,N1C(=O)NC(=O)C=C1C,-1.26
-E-1209,L-Arabinose,"InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2",SRBFZHDQGSBBOR-UHFFFAOYSA-N,O(C(O)C(O)C(O)C1O)C1,0.39
-E-1210,2-Mercaptopteridine,"InChI=1S/C6H4N4S/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1-3H,(H,8,9,10,11)",GTLUQRDIJWHQGF-UHFFFAOYSA-N,c1cnc2c(S)ncnc2n1,-2.36
-E-1211,Benzenesulfonamide,"InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)",KHBQMWCZKVMBLN-UHFFFAOYSA-N,O=S(=O)(N)c(cccc1)c1,-1.56
-E-1212,Thiram,InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3,KUAZQDVKQLNFPE-UHFFFAOYSA-N,N(C(=S)SSC(N(C)C)=S)(C)C,-3.9
-E-1213,"trans-2,5-Dimethylpiperazine","InChI=1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3",NSMWYRLQHIXVAP-UHFFFAOYSA-N,N1C(C)CNC(C)C1,0.49
-E-1214,m-Iodobenzoic_Acid,"InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)",KVBWBCRPWVKFQT-UHFFFAOYSA-N,O=C(O)c(cccc1I)c1,-3.27
-E-1215,2-Methoxypteridine,"InChI=1S/C7H6N4O/c1-12-7-5-6(10-4-11-7)9-3-2-8-5/h2-4H,1H3",KCCOKUSVNPDIBJ-UHFFFAOYSA-N,c1cnc2c(OC)ncnc2n1,-1.11
-E-1216,7-Methylthiopteridine,"InChI=1S/C7H6N4S/c1-12-6-3-9-7-5(11-6)2-8-4-10-7/h2-4H,1H3",PWBADUKEIVQTGV-UHFFFAOYSA-N,c1c(SC)nc2cncnc2n1,-1.55
-E-1217,Propylthiouracil,"InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)",KNAHARQHSZJURB-UHFFFAOYSA-N,N1C(=S)NC(=O)C=C1CCC,-2.15
-E-1218,Chlorquinox,InChI=1S/C8H2Cl4N2/c9-3-4(10)6(12)8-7(5(3)11)13-1-2-14-8/h1-2H,NHTGQOXRZFUGJX-UHFFFAOYSA-N,Clc1c(Cl)c(Cl)c2nccnc2c1Cl,-5.43
-E-1219,"2,4-D","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,O=C(O)COc(c(cc(c1)Cl)Cl)c1,-2.51
-E-1220,Methyl_Salicylate,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",OSWPMRLSEDHDFF-UHFFFAOYSA-N,O=C(OC)c(c(O)ccc1)c1,-2.34
-E-1221,N-Methylanthranilic_Acid,"InChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)",WVMBPWMAQDVZCM-UHFFFAOYSA-N,O=C(O)c(c(NC)ccc1)c1,-2.88
-E-1222,Phenetole,"InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3",DLRJIFUOBPOJNS-UHFFFAOYSA-N,c1ccccc1OCC,-2.33
-E-1223,Tyramine,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",DZGWFCGJZKJUFP-UHFFFAOYSA-N,NCCc1ccc(O)cc1,-1.12
-E-1224,"6-Methyl-2,4-heptadione","InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3",IGMOYJSFRIASIE-UHFFFAOYSA-N,CC(C)CC(=O)CC(=O)C,-1.6
-E-1225,"cis-1,2-Dimethylcyclohexane","InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3",KVZJLSYJROEPSQ-UHFFFAOYSA-N,C1C(C)C(C)CCC1,-4.27
-E-1226,Benazolin,"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,OC(=O)CN1C(=O)Sc2cccc(Cl)c12,-2.61
-E-1227,DL-2-(2-Chlorophenoxy)propionic_Acid,"InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)",YNTJKQDWYXUTLZ-UHFFFAOYSA-N,OC(=O)C(Oc1cc(Cl)ccc1)C,-2.22
-E-1228,Methyl-4-methoxybenzoate,"InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3",DDIZAANNODHTRB-UHFFFAOYSA-N,O=C(OC)c(ccc(OC)c1)c1,-2.41
-E-1229,Dulcin,"InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)",GGLIEWRLXDLBBF-UHFFFAOYSA-N,CCOc1ccc(NC(N)=O)cc1,-2.17
-E-1230,Pelargonic_Acid,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",FBUKVWPVBMHYJY-UHFFFAOYSA-N,O=C(O)CCCCCCCC,-2.75
-E-1231,Pyrazon,"InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2",WYKYKTKDBLFHCY-UHFFFAOYSA-N,c1ccccc1N2C(=O)C(Cl)=C(N)C=N2,-2.87
-E-1232,Sulfadiazine,"InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",SEEPANYCNGTZFQ-UHFFFAOYSA-N,O=S(=O)(Nc(nccc1)n1)c(ccc(N)c2)c2,-3.51
-E-1233,p-Acetoxy-acetanilide,"InChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)",UJAOSPFULOFZRR-UHFFFAOYSA-N,CC(=O)Nc1ccc(OC(C)=O)cc1,-1.91
-E-1234,"5,6,7,8-Tetrahydro-2-naphthol","InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2",UMKXSOXZAXIOPJ-UHFFFAOYSA-N,Oc1cc2CCCCc2cc1,-1.99
-E-1235,Carvacrol,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",RECUKUPTGUEGMW-UHFFFAOYSA-N,Oc(c(ccc1C(C)C)C)c1,-2.08
-E-1236,d-Fenchone,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",LHXDLQBQYFFVNW-UHFFFAOYSA-N,O=C(C(CC1C2)(C2)C)C1(C)C,-1.85
-E-1237,l-Menthone,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",NFLGAXVYCFJBMK-UHFFFAOYSA-N,O=C(C(CCC1C)C(C)C)C1,-2.49
-E-1238,"2,4-Dimethylquinoline","InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3",ZTNANFDSJRRZRJ-UHFFFAOYSA-N,n(c(c(c(c1)C)ccc2)c2)c1C,-1.94
-E-1239,Dinitramine,"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,CCN(CC)c1c(cc(c(N)c1N(=O)=O)C(F)(F)F)N(=O)=O,-5.47
-E-1240,Dimethyl_Carbate,"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,C1=CC(C2)C(C(=O)OC)C(C(=O)OC)C12,-1.2
-E-1241,Phenbutamide,"InChI=1S/C11H16N2O3S/c1-2-3-9-12-11(14)13-17(15,16)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,12,13,14)",AFOGBLYPWJJVAL-UHFFFAOYSA-N,c1ccccc1S(=O)(=O)NC(=O)NCCCC,-3.05
-E-1242,Ethirimol,"InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)",BBXXLROWFHWFQY-UHFFFAOYSA-N,CCCCc1c(C)nc(NCC)nc1O,-3.02
-E-1243,Quinonamid,"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,c1ccc2C(=O)C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2c1,-5.03
-E-1244,Quinhydrone,"InChI=1S/C12H10O4/c13-8-3-5-12(16,6-4-8)10-7-9(14)1-2-11(10)15/h1-7,14-16H",KKIYXTAGNVTYLV-UHFFFAOYSA-N,O=C1C=CC(c2cc(ccc2O)O)(C=C1)O,-1.73
-E-1245,4-Hexylresorcinol,"InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3",WFJIVOKAWHGMBH-UHFFFAOYSA-N,Oc(c(ccc1O)CCCCCC)c1,-2.59
-E-1246,Benodanil,"InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)",LJOZMWRYMKECFF-UHFFFAOYSA-N,Ic1ccccc1C(=O)Nc2ccccc2,-4.21
-E-1247,Benfluralin,"InChI=1S/C13H16F3N3O4/c1-3-5-6-17(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",SMDHCQAYESWHAE-UHFFFAOYSA-N,CCCCN(CC)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O,-5.53
-E-1248,Bupirimate,"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,CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C,-4.16
-E-1249,"o,p'-DDT","InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H",CVUGPAFCQJIYDT-UHFFFAOYSA-N,Clc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl,-6.62
-E-1250,Diphenic_Acid,"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,O=C(O)c(c(c(c(ccc1)C(=O)O)c1)ccc2)c2,-2.28
-E-1251,Benzoin,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,c1ccccc1C(=O)Oc2ccccc2,-2.85
-E-1252,Pindone,"InChI=1S/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3",RZKYEQDPDZUERB-UHFFFAOYSA-N,O=C(C(C(=O)c(c1ccc2)c2)C1=O)C(C)(C)C,-4.11
-E-1253,Methapyrilene,"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,CN(C)CCN(Cc1cccs1)c2ccccn2,-2.64
-E-1254,Morin,"InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H",YXOLAZRVSSWPPT-UHFFFAOYSA-N,Oc1cc(O)c2C(=O)C(O)=C(c3ccc(O)cc3O)Oc2c1,-3.08
-E-1255,Bendroflumethiazide,"InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)",HDWIHXWEUNVBIY-UHFFFAOYSA-N,NS(=O)(=O)c3cc2c(NC(Cc1ccccc1)NS2(=O)=O)cc3C(F)(F)F,-3.59
-E-1256,Oxadiazon,"InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3",CHNUNORXWHYHNE-UHFFFAOYSA-N,CC(C)Oc1cc(c(Cl)cc1Cl)N2N=C(OC2=O)C(C)(C)C,-5.69
-E-1257,Metolachlor,"InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3",WVQBLGZPHOPPFO-UHFFFAOYSA-N,CCc1cccc(C)c1N(C(C)COC)C(=O)CCl,-2.73
-E-1258,Hematein,"InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2",HLUCICHZHWJHLL-UHFFFAOYSA-N,O=C1C=C2CC3(O)COc4c(O)c(O)ccc4C3=C2C=C1O,-2.7
-E-1259,Fenarimol,"InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H",NHOWDZOIZKMVAI-UHFFFAOYSA-N,n(cc(C(O)(c(ccc(c1)Cl)c1)c(c(ccc2)Cl)c2)cn3)c3,-4.38
-E-1260,Antazoline,"InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)",REYFJDPCWQRWAA-UHFFFAOYSA-N,N1CCN=C1CN(c2ccccc2)Cc3ccccc3,-2.6
-E-1261,Dienestrol,"InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,17-20H,1-2H2",UBEHJDYYBJLBAZ-UHFFFAOYSA-N,c1cc(O)ccc1C(C=C)C(C=C)c2ccc(O)cc2,-4.95
-E-1262,Hexestrol,"InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3",PBBGSZCBWVPOOL-UHFFFAOYSA-N,c1cc(O)ccc1C(CC)C(CC)c2ccc(O)cc2,-4.43
-E-1263,Hydrocinchonine,"InChI=1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3",WFJNHVWTKZUUTR-UHFFFAOYSA-N,c12ccccc1nccc2C(O)C3N(C4)CCC(C4CC)C3,-2.63
-E-1264,Epitiostanol,"InChI=1S/C19H30OS/c1-18-8-7-14-12(13(18)5-6-17(18)20)4-3-11-9-15-16(21-15)10-19(11,14)2/h11-17,20H,3-10H2,1-2H3",OBMLHUPNRURLOK-UHFFFAOYSA-N,C1(S5)C5CC2CCC3C4CCC(O)C4(C)CCC3C2(C)C1,-5.41
-E-1265,Prochlorperazine,"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,CN4CCN(CCCN2c1ccccc1Sc3ccc(Cl)cc23)CC4,-4.4
-E-1266,Abietic_Acid,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)",RSWGJHLUYNHPMX-UHFFFAOYSA-N,O=C(O)C(C(C(C(C(=C1)C=C(C2)C(C)C)C2)(CC3)C)C1)(C3)C,-3.8
-E-1267,Ethisterone,"InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3",CHNXZKVNWQUJIB-UHFFFAOYSA-N,C1C(=O)C=C2CCC3C4CCC(O)(C#C)C4(C)CCC3C2(C)C1,-5.66
-E-1268,Ethyl_Biscoumacetate,"InChI=1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3",JCLHQFUTFHUXNN-UHFFFAOYSA-N,c1ccc2OC(=O)C(C(C(=O)OCC)C3=C(O)c4ccccc4OC3=O)=C(O)c2c1,-3.66
-E-1269,Amikacin,"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)",LKCWBDHBTVXHDL-UHFFFAOYSA-N,NCCC(O)C(=O)NC2CC(N)C(OC1OC(CN)C(O)C(O)C1O)C(O)C2OC3OC(CO)C(O)C(N)C3O,-0.5
-E-1270,Glyburide,"InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)",ZNNLBTZKUZBEKO-UHFFFAOYSA-N,c1c(Cl)ccc(OC)c1C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2,-5.09
-E-1271,Diosgenin,"InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3",WQLVFSAGQJTQCK-UHFFFAOYSA-N,C1C(O)CC2=CCC3C4CC5OC6(OCC(C)CC6)C(C)C5C4(C)CCC3C2(C)C1,-7.32
-E-1272,"2,2',4,5,5'-PCB",InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H,LAHWLEDBADHJGA-UHFFFAOYSA-N,Clc1ccc(Cl)c(c1)c2cc(Cl)c(Cl)cc2Cl,-7.89
-E-1273,benzocaine,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",BLFLLBZGZJTVJG-UHFFFAOYSA-N,O=C(OCC)c(ccc(N)c1)c1,-2.32
-E-1274,acetylsalicylic_acid,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",BSYNRYMUTXBXSQ-UHFFFAOYSA-N,O=C(Oc(c(ccc1)C(=O)O)c1)C,-1.72
-E-1275,antipyrine,"InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3",VEQOALNAAJBPNY-UHFFFAOYSA-N,c1ccccc1N2C(=O)C=C(C)N2C,-0.56
-E-1276,atrazine,"InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)",MXWJVTOOROXGIU-UHFFFAOYSA-N,n(c(nc(n1)NC(C)C)NCC)c1Cl,-3.85
-E-1277,phenobarbital,"InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)",DDBREPKUVSBGFI-UHFFFAOYSA-N,CCC1(C(=O)NC(=O)NC1=O)c2ccccc2,-2.34
-E-1278,diuron,"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,O=C(N(C)C)Nc(ccc(c1Cl)Cl)c1,-3.8
-E-1279,nitrofurantoin,"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,O=C(N(N=CC(OC(N(=O)=O)=C1)=C1)CC2=O)N2,-3.47
-E-1280,phenytoin,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)",CXOFVDLJLONNDW-UHFFFAOYSA-N,O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3,-3.99
-E-1281,diazepam,"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,O=C(N(c(c(cc(c1)Cl)C(=N2)c(cccc3)c3)c1)C)C2,-3.76
-E-1282,testosterone,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3",MUMGGOZAMZWBJJ-UHFFFAOYSA-N,C1C(=O)C=C2CCC3C4CCC(O)C4(C)CCC3C2(C)C1,-4.09
-E-1283,lindane,InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,JLYXXMFPNIAWKQ-UHFFFAOYSA-N,C(C(C(C(C1Cl)Cl)Cl)Cl)(C1Cl)Cl,-4.6
-E-1284,parathion,"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,CCOP(=S)(OCC)Oc1ccc(cc1)N(=O)=O,-4.66
-E-1285,diazinon,"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,O(P(OCC)(Oc(nc(nc1C)C(C)C)c1)=S)CC,-3.64
-E-1286,phenolphthalein,"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,O=C(OC(c1cccc2)(c(ccc(O)c3)c3)c(ccc(O)c4)c4)c12,-2.9
-E-1287,malathion,"InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3",JXSJBGJIGXNWCI-UHFFFAOYSA-N,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,-3.37
-E-1288,chlorpyriphos,"InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3",SBPBAQFWLVIOKP-UHFFFAOYSA-N,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,-5.49
-E-1289,prostaglandin_E2,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)",XEYBRNLFEZDVAW-UHFFFAOYSA-N,CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O,-2.47
-E-1290,"p,p'-DDT","InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H",YVGGHNCTFXOJCH-UHFFFAOYSA-N,c(ccc(c1)Cl)(c1)C(c(ccc(c2)Cl)c2)C(Cl)(Cl)Cl,-7.15
-E-1291,chlordane,"InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2",BIWJNBZANLAXMG-UHFFFAOYSA-N,ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,-6.86
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