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• Epn

IUPAC Name: ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-$l^{5}-phosphane | CAS Registry Number: 2104-64-5
Synonyms: Santox, Tsumaphos, Kasutop Dust, Meidon 15 Dust, MAPJ, Caswell No. 454, EPN 300, HSDB 4049, C14H14NO4PS, ENT 17,798, WLN: WNR DOPS&R&O2, EPN-300, OMS 219, EPN300, NSC 8943, CHEBI:34733, EINECS 218-276-8, (+)-EPN, (-)-EPN, NSC8943

Molecular Formula:	C₁₄H₁₄NO₄PS	Molecular Weight:	323.304021 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: AIGRXSNSLVJMEA-UHFFFAOYSA-N

• Epoxiconazole

IUPAC Name: 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole | CAS Registry Number: 133855-98-8
Synonyms: Epoxiconazol, 36848_RIEDEL, CID107901, LS-192865, C11229, (2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole, 1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-, 1H-1,2,4-Triazole, 1-(((2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-, rel-, 1H-1,2,4-Triazole, 1-((3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-, cis-(+-)-

Molecular Formula:	C₁₇H₁₃ClFN₃O	Molecular Weight:	329.756023 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: ZMYFCFLJBGAQRS-IAGOWNOFSA-N

• Eprazinone

IUPAC Name: 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one | CAS Registry Number: 10402-90-1
Synonyms: Eprazinona, Eprazinonum, Eprazinonum [INN-Latin], Eprazinona [INN-Spanish], Eprazinone [INN:DCF], UNII-883YNL63WU, EPRAZINONE DIHYDROCHLORIDE, EINECS 233-873-3, CID3245, AIDS001644, C24H32N2O2, AIDS-001644, BRN 0844684, NCGC00167445-01, 10402-53-6 (DIHYDROCHLORIDE), LS-125250, 5-23-02-00216 (Beilstein Handbook Reference), 1-(2-Phenyl-2-ethoxyethyl)-4-(2-benzyloxypropyl)piperazine, 3-(4-(beta-Ethoxyphenethyl)-1-piperazinyl)-2-methylpropiophenone, Propiophenone, 2-(4-(beta-ethoxyphenethyl)-1-piperazinyl)methyl-

Molecular Formula:	C₂₄H₃₂N₂O₂	Molecular Weight:	380.523080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BSHWLCACYCVCJE-UHFFFAOYSA-N

• Eprazinone HCl

IUPAC Name: 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one dihydrochloride | CAS Registry Number: 10402-53-6
Synonyms: Resplen, Eftapan, Mucitux, Eprazinone, eprazinone hydrochloride, Resplen (TN), EPRAZINONE DIHYDROCHLORIDE, C24H32N2O2.2HCl, Eprazinone hydrochloride (JAN), EINECS 233-872-8, 746 CE, NSC 317935, LS-125251, D01106, 1-(2-Benzoylpropyl)-2-(2-ethoxy-2-phenylethyl)piperazine dihydrochloride, 1-(2-phenyl-2-ethoxy)ethyl-4-(2-benzyloxy)propylpiperazine, 1-(2-Phenyl-2-ethoxy)ethyl-4-(2-benzyloxy)propylpiperazine dihydrochloride, 2-(4-(beta-Ethoxyphenethyl)-1-piperazinylmethyl)propiophenone dihydrochloride, 3-(4-(2-Ethoxy-2-phenylethyl)-1-piperazinyl)-2-methyl-1-phenyl-1-propanone dihydrochloride, 3-(4-(beta-Ethoxyphenethyl)-1-piperazinyl)-2-methyl-1-propiophenone dihydrochloride

Molecular Formula:	C₂₄H₃₄Cl₂N₂O₂	Molecular Weight:	453.444960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: BPMQVOKMMQFZGV-UHFFFAOYSA-N

• Ergocornine

Synonyms: Ergocornin, Biomol-NT_000006, MLS000069342, MLS001076288, BPBio1_001133, EINECS 209-272-7, MolPort-002-533-522, NSC 407316, CID73453, BRN 0078784, LS-64543, SMR000058938, C09162, 4-25-00-00963 (Beilstein Handbook Reference), BRD-K19360254-001-01-3, 12'-Hydroxy-2',5'-alpha-bis(1-methylethyl)ergotaman-3',6',18-trione, Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'-alpha)-

Molecular Formula:	C₃₁H₃₉N₅O₅	Molecular Weight:	561.671860 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: UJYGDMFEEDNVBF-OGGGUQDZSA-N

• ERGOCORNININE

Synonyms: Ergocorninine, Isoergocornine, Ergocornine, EINECS 209-273-2, CID164671, (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione, Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'alpha,8alpha)-

Molecular Formula:	C₃₁H₃₉N₅O₅	Molecular Weight:	561.671860 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: UJYGDMFEEDNVBF-XJUOHTAZSA-N

• ERGOCRISTINE

Synonyms: Ergocristine, Ergocrystine, EINECS 208-120-7, NSC 93743, CID98255, NSC93743, BRN 0079046, LS-64290, 4-25-00-00966 (Beilstein Handbook Reference), Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'-alpha)-, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'.alpha.)-, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha)-, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha)- (9CI)

Molecular Formula:	C₃₅H₃₉N₅O₅	Molecular Weight:	609.714660 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: HEFIYUQVAZFDEE-UHFFFAOYSA-N

• ERGOCRISTININE

Synonyms: Ergocristinine, Isoergocristine, Ergocristine, EINECS 208-119-1, CID164639, (8alpha)-5'alpha-Benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,8alpha)-

Molecular Formula:	C₃₅H₃₉N₅O₅	Molecular Weight:	609.714660 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: HEFIYUQVAZFDEE-KHWPRRIISA-N

• ERGOMETRINE (CAS: 74283-21-9)

• ERGOMETRININE

Synonyms: Ergometrinine, Ergobasinine, Ergometrinin, Ergonovinine, Isoergometrine, Ergobasinin, TNP00144, BRN 0094900, CID5486180, NCGC00017253-01, LS-64358, 4-25-00-00950 (Beilstein Handbook Reference), 9,10-Didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methylergoline-8-alpha-carboxamide, Ergoline-8-alpha-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl-

Molecular Formula:	C₁₉H₂₃N₃O₂	Molecular Weight:	325.404820 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: WVVSZNPYNCNODU-PLQHRBFRSA-N

• Ergonovine

Synonyms: Ergometrine, Ergobasine, Ergostetrine, Ergoklinine, Ergometrin, Ergotocine, Margonovine, Neofemergen, Secacornin, Secometrin, Basergin, Ergometrinine, Ergometrina, Ergometrinum, Ergobasin, ERGONOVINE, Ergotrate, Ergotrate Maleate, ergometrine maleate, Ergometrinum [INN-Latin]

Molecular Formula:	C₁₉H₂₃N₃O₂	Molecular Weight:	325.404820 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: WVVSZNPYNCNODU-XTQGRXLLSA-N

• Ergosine

Synonyms: alpha-Ergosine, Ergosinine, CHEBI:4823, EINECS 209-226-6, NSC 122047, BRN 0102152, CID105137, LS-64527, C09167, 4-25-00-00961 (Beilstein Handbook Reference), (5'alpha)-12'-hydroxy-5'-isobutyl-2'-methyl-3',6',18-trioxoergotaman, (5'alpha)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-3',6',18-trioxoergotaman, (5'alpha)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'-alpha)-, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'-alpha)- (9CI)

Molecular Formula:	C₃₀H₃₇N₅O₅	Molecular Weight:	547.645280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: NESVMZOPWPCFAU-ZPRCMDFASA-N

• ERGOSININE

Synonyms: Ergosinine, CID135569, (5'alpha,8alpha)-12'-Hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'alpha,8alpha)-

Molecular Formula:	C₃₀H₃₇N₅O₅	Molecular Weight:	547.645280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: NESVMZOPWPCFAU-UGTZLQJCSA-N

• Ergost-8(14)-ene, (5a)-

IUPAC Name: (5R,9R,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene | CAS Registry Number: 6673-69-4
Synonyms: CTK2F2695, AG-G-51832, 5a-Ergost-8(14)-ene (7CI,8CI);

Molecular Formula:	C₂₈H₄₈	Molecular Weight:	384.680720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: JEEPHKGUAQDHOE-BIFNGEDZSA-N

• ergostanol

IUPAC Name: (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 6538-02-9
Synonyms: Ergostanol, UNII-A17PU7ED98, A17PU7ED98, 5alpha-Ergostan-3beta-ol, Epiergostanol, Ergostanol [MI], Dihydrobrassicastanol, 5alpha(H)-Campestanol, 24alpha-Methylcholestanol, AC1NR2P7, SCHEMBL480834, (24S)-5alpha-Ergostan-3beta-ol, Ergostan-3-ol, (3beta,5alpha)-, LMST01030102, AG-F-61481, C19651, (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula:	C₂₈H₅₀O	Molecular Weight:	402.696000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: ARYTXMNEANMLMU-OZEQXKMUSA-N

• Ergosterol

IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 57-87-4
Synonyms: ERGOSTEROL, Provitamin D2, Ergosterin, 47130U_SUPELCO, E6510_SIGMA, MEGxm0_000450, 45480_FLUKA, 5,7,22-Ergostatrien-3beta-ol, ACon0_000429, ACon1_000637, CHEBI:16933, AIDS064232, AIDS-064232, Ergosta-5,7,22E-trien-3beta-ol, NSC62791, CID444679, LMST01030093, ZINC04084618, 3beta-Hydroxy-5,7,22-ergostatriene, NCGC00168889-01

Molecular Formula:	C₂₈H₄₄O	Molecular Weight:	396.648360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: DNVPQKQSNYMLRS-APGDWVJJSA-N

• ERGOTAMINE

Synonyms: Ergotamin, ergotaminum, Ergonsvine, Ergotamina, Cornutamine, Ergostat, Gynergen, Rigetamin, Temigran, Ergotamine (INN), Ergotamine bitartrate, Ergotaminum [INN-Latin], Ergotamina [INN-Spanish], Ergotamine [INN:BAN], HSDB 4076, UNII-PR834Q503T, CHEBI:4826, EINECS 204-023-9, CID8223, NSC 95090

Molecular Formula:	C₃₃H₃₅N₅O₅	Molecular Weight:	581.661500 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: XCGSFFUVFURLIX-VFGNJEKYSA-N

• ERGOTAMININE

Synonyms: Isoergotamine, Ergotaminine, Ergotamin, CID115248, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha,8alpha)-

Molecular Formula:	C₃₃H₃₅N₅O₅	Molecular Weight:	581.661500 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: XCGSFFUVFURLIX-BRMNWJGKSA-N

• Erucic Acid

IUPAC Name: (Z)-docos-13-enoic acid | CAS Registry Number: 112-86-7
Synonyms: ERUCIC ACID, cis-13-Docosenoic acid, Erucasaeure, Brassidic acid, cis-erucic acid, Hystrene 2290, 13-cis-Docosenoic acid, 13-Docosenoic acid, Z-13-Docosenoic acid, 13Z-docosenoic acid, (13Z)-Docosenoic acid, 13-Docosenoic acid, (Z)-, (Z)-Docos-13-enoic acid, Prifac 2990, delta13-cis-Docosenoic acid, trans-13-Docosenoic acid, delta13:14-Docosenoic acid, (Z)-13-Docosenoic acid, ERUCIC ACID, PRACT, 13-Docosenoic acid, (13Z)-

Molecular Formula:	C₂₂H₄₂O₂	Molecular Weight:	338.567680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DPUOLQHDNGRHBS-KTKRTIGZSA-N

• Erucic Acid Methyl Ester

IUPAC Name: methyl (Z)-docos-13-enoate | CAS Registry Number: 1120-34-9
Synonyms: Methyl erucate, Methyl (Z)-13 docosenoate, Erucic acid, methyl ester, Methyl cis-13-docosenoate, Methyl (Z)-docos-13-enoate, 45659_FLUKA, 13-Docosenoic acid, methyl ester, EINECS 214-305-3, CID5364423, 13-Docosenoic acid, (Z)-, methyl ester, AI3-11100, 13-Docosenoic acid, methyl ester, (13Z)-, 13-DOCOSENOIC ACID, METHYL ESTER, (Z)-

Molecular Formula:	C₂₃H₄₄O₂	Molecular Weight:	352.594260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZYNDJIBBPLNPOW-KHPPLWFESA-N

• Erythrodiol

IUPAC Name: (3S,6aR,6bS,8aS,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol | CAS Registry Number: 545-48-2
Synonyms: AIDS064685, AIDS-064685, CID470261, (3.beta.)-Olean-12-ene-3,28-diol

Molecular Formula:	C₃₀H₅₀O₂	Molecular Weight:	442.716800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: PSZDOEIIIJFCFE-QXSRUYARSA-N

• Erythromycin

IUPAC Name: (2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione | CAS Registry Number: 114-07-8
Synonyms: erythromycin, Erythromycin A, Abomacetin, Erymax, Emgel, erythro, Erythrocin, Ilotycin, Staticin, Eryacne, Erygel, Akne-Mycin, Erythromycin oxime, E-Mycin, Erythrocin stearate, T-Stat, Staticin (TN), Akne-mycin (TN), Prestwick_205, Erygel (TN)

Molecular Formula:	C₃₇H₆₇NO₁₃	Molecular Weight:	733.926780 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	14

InChIKey: ULGZDMOVFRHVEP-RWJQBGPGSA-N

• ERYTHROMYCIN ETHYL SUCCINATE

IUPAC Name: 4-O-[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] 1-O-ethyl butanedioate

Molecular Formula:	C₄₃H₇₅NO₁₆	Molecular Weight:	862.052700 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	17

InChIKey: NSYZCCDSJNWWJL-BEUFCITMSA-N

• Erythromycin Ethylsuccinate

IUPAC Name: 1-O-[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,4R,6R,7R,8S,9R,12R,13S,14S)-9-ethyl-2,7,8-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,6,8,12,14-hexamethyl-5,11-dioxo-10-oxacyclotetradec-1-yl]oxy]-6-methyloxan-3-yl] 4-O-ethyl butanedioate | CAS Registry Number: 1264-62-6
Synonyms: Monomycin, EryPed, Pediamycin, erythromycin ethylsuccinate, Wyamycin E, Erythroped, Pediazole, Erythrocin W, Mixture Name, E-Mycin E, E-Mycin-E, Eryped (TN), ERYZOLE, Erythrocin W (TN), ERY-PED, Spectrum_001046, Spectrum2_000983, Spectrum3_000419, Spectrum4_000536, Spectrum5_000668

Molecular Formula:	C₄₃H₇₅NO₁₆	Molecular Weight:	862.052700 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	17

InChIKey: NSYZCCDSJNWWJL-YXOIYICCSA-N

• Escapeflam DK-15

Synonyms: Dechlorane plus, Dechloran A, Dechlorane 605, Dechlorane Plus 25, Dechlorane Plus 35, Dechlorane Plus 515, Dechlorane Plus 1000, Dechlorane Plus 2520, HSDB 7450, EINECS 236-948-9, CID26111, BRN 2195908, AI3-27889, Bis(hexachlorocyclopentadieno)cyclooctane, LS-62010, Dodecachlorododecahydrodimethanodibenzocyclooctane, 4-05-00-01783 (Beilstein Handbook Reference), 1,4:7,10-Dimethanodibenzo(a,e)cyclooctane, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-, 1,4:7,10-Dimethanodibenzo(a,e)cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-, 1,6,7,8,9,14,15,16,17,17,18,18-Dodecachloropentacyclo(12.2.1.16,9.02,13.05,10)octadeca-7,15-diene

Molecular Formula:	C₁₈H₁₂Cl₁₂	Molecular Weight:	653.723880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: UGQQAJOWXNCOPY-UHFFFAOYSA-N

• Escitalopram Oxalate

IUPAC Name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; oxalic acid | CAS Registry Number: 219861-08-2
Synonyms: Lexapro, Escitalopram oxalate, Cipralex, Seroplex, Esertia, Gaudium, Entact, Lexapro (TN), Escitalopram oxalate [USAN], Escitalopram oxalate (USAN), MLS001401408, SPECTRUM1505216, (+)-(S)-Citalopram oxalate, MLD-55, Lu 26-054-0, NCGC00095903-01, CPD000469191, Lu-26-054-0, SAM001246668, SMR000469191

Molecular Formula:	C₂₂H₂₃FN₂O₅	Molecular Weight:	414.426823 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: KTGRHKOEFSJQNS-BDQAORGHSA-N

• Esfenvalerate

IUPAC Name: [(S)-cyano-[3-(phenoxy)phenyl]methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate | CAS Registry Number: 66230-04-4
Synonyms: ESFENVALERATE, Fenvalerate (S,S)-isomer, CHEBI:39346, NCGC00163956-01, NCGC00163956-02, (S)-cyano(3-phenoxyphenyl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate

Molecular Formula:	C₂₅H₂₂ClNO₃	Molecular Weight:	419.900080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: NYPJDWWKZLNGGM-RPWUZVMVSA-N

• Estradiol

IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol | CAS Registry Number: 50-28-2
Synonyms: estradiol, beta-Estradiol, 17beta-Estradiol, Estrace, progynon, Dihydroxyestrin, Oestradiol, Diogynets, Aquadiol, Dihydrofolliculin, Divigel, Vagifem, Diogyn, Dihydrotheelin, Oestroglandol, Dimenformon, Estraldine, Follicyclin, Gynoestryl, Perlatanol

Molecular Formula:	C₁₈H₂₄O₂	Molecular Weight:	272.381960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N

• Estragole Natural

IUPAC Name: 1-methoxy-4-prop-2-enylbenzene | CAS Registry Number: 140-67-0
Synonyms: Estragole, p-Allylanisole, Tarragon, 4-Allylanisole, Isoanethole, Esdragole, Esdragol, Esdragon, Terragon, Methyl chavicol, Methylchavicol, Anisole, p-allyl-, Estragol, Chavicol methyl ether, 1-Allyl-4-methoxybenzene, p-Methoxyallylbenzene, 4-Allylmethoxybenzene, 4-Methoxyallylbenzene, Chavicol, O-methyl-, Estragole (natural)

Molecular Formula:	C₁₀H₁₂O	Molecular Weight:	148.201680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZFMSMUAANRJZFM-UHFFFAOYSA-N

• Estriol-2,4-D2

IUPAC Name: (8R,9S,13S,14S,16R,17R)-2,4-dideuterio-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol | CAS Registry Number: 53866-32-3
Synonyms: SCHEMBL13153303, [2H2]-16-alpha-Hydroxy-17-beta-estradiol

Molecular Formula:	C₁₈H₂₄O₃	Molecular Weight:	290.399 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: PROQIPRRNZUXQM-JOFMCETISA-N

• Estrone

IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one | CAS Registry Number: 53-16-7
Synonyms: estrone, folliculin, Theelin, Cristallovar, Crinovaryl, Aquacrine, Crystogen, Destrone, estrovarin, Endofolliculina, Disynformon, Estrugenone, Follestrine, Folliculine, Follicunodis, Glandubolin, Hormofollin, Hormovarine, Ketodestrin, Oestroperos

Molecular Formula:	C₁₈H₂₂O₂	Molecular Weight:	270.366080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DNXHEGUUPJUMQT-CBZIJGRNSA-N

• ESTRONE SULFATE SODIUM SALT

IUPAC Name: sodium [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate | CAS Registry Number: 438-67-5
Synonyms: Premarin, Conestoral, Morestin, Hyhorin, Estrone sulfate, Novoconestron, Amnestrogen, Climestrone, Emopremarin, Follestrol, Transannon, Ayerogen, Cenestin, Climarest, Climatrol, Climopax, Conestron, Conjugen, Conjutabs, Equigyne

Molecular Formula:	C₁₈H₂₁NaO₅S	Molecular Weight:	372.411110 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: VUCAHVBMSFIGAI-ZFINNJDLSA-M

• ESTRONE-16,16-D2

IUPAC Name: (8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one | CAS Registry Number: 56588-58-0
Synonyms: Cristallovar-d2, Crinovaryl-d2, Aquacrine-d2, Crystogen-d2, Wynestron-d2, Estrone-d2, (+)-Estrone-d2, WAY 164397-d2, 1,3,5(10)-Estratrien-3-ol-17-one-d2, 3-Hydroxy-17-keto-estra-1,3,5-triene-d2, FT-0668040, 3-Hydroxyestra-1,3,5(10)-trien-17-one-d2

Molecular Formula:	C₁₈H₂₂O₂	Molecular Weight:	272.378404 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DNXHEGUUPJUMQT-XIMAIENTSA-N

• ESTRONE-2,4,16,16-D4

IUPAC Name: (8R,9S,13S,14S)-2,4,16,16-tetradeuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one | CAS Registry Number: 53866-34-5
Synonyms: Estrone-2,4,16,16-d4, Estrone-d4, Cristallovar-d4, Crinovaryl-d4, Aquacrine-d4, Crystogen-d4, Wynestron-d4, [2H4]-Estrone, (+)-Estrone-d4, 489204_ALDRICH, WAY 164397-d4, 1,3,5(10)-Estratrien-3-ol-17-one-d4, 3-Hydroxy-17-keto-estra-1,3,5-triene-d4, FT-0668041, 3-Hydroxyestra-1,3,5(10)-trien-17-one-d4, Estra-1,3,5(10)-trien-17-one-2,4,16,16-d4, 3-hydroxy-

Molecular Formula:	C₁₈H₂₂O₂	Molecular Weight:	274.390727 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DNXHEGUUPJUMQT-QSPUTOQOSA-N

• Etaqualone

IUPAC Name: 3-(2-ethylphenyl)-2-methylquinazolin-4-one | CAS Registry Number: 7432-25-9
Synonyms: Athinazone, Ethinazone, Aolan, Etaqualone [INN], Etaqualonum [INN-Latin], Etacualona [INN-Spanish], NCIOpen2_006345, Oprea1_421532, C17H16N2O, NSC 96163, NSC96163, BRN 0887484, WLN: T66 BVN ENJ CR B2& D1, 3-(o-Ethylphenyl)-2-methylquinazolin-4(3H)-one, 4(3H)-Quinazolinone, 3-(2-ethylphenyl)-2-methyl-, LS-140890, 3-(o-Ethylphenyl)-2-methyl-4(3H)-quinazolinone, 4(3H)-QUINAZOLINONE, 3-(o-ETHYLPHENYL)-2-METHYL-, 5-24-03-00135 (Beilstein Handbook Reference), 4(3H)-Quinazolinone, 3-(2-ethylphenyl)-2-methyl- (9CI)

Molecular Formula:	C₁₇H₁₆N₂O	Molecular Weight:	264.321740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: UVTJKLLUVOTSOB-UHFFFAOYSA-N

• Etaqualone Hydrochloride

IUPAC Name: 3-(2-ethylphenyl)-2-methylquinazolin-4-one | CAS Registry Number: 97979-65-2
Synonyms: Etaqualone, Athinazone, Ethinazone, Aolan, Etaqualonum [INN-Latin], Etacualona [INN-Spanish], 3-(o-Ethylphenyl)-2-methylquinazolin-4(3H)-one, 4(3H)-Quinazolinone, 3-(2-ethylphenyl)-2-methyl-, NSC 96163, BRN 0887484, 4(3H)-QUINAZOLINONE, 3-(o-ETHYLPHENYL)-2-METHYL-, 7432-25-9, Etacualona, Etaqualonum, Aolan Hydrochloride, Etaqualone [INN], Athinazone Hydrochloride, Ethinazone Hydrochloride, SureCN466318, UNII-HFS3HB32J7

Molecular Formula:	C₁₇H₁₆N₂O	Molecular Weight:	264.321740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: UVTJKLLUVOTSOB-UHFFFAOYSA-N

• Etbicyphat

IUPAC Name: 4-ethyl-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octane 1-oxide | CAS Registry Number: 1005-93-2
Synonyms: TMPP-oxide, TMPP (phosphate), ETBICYPHAT, TMP-P, Trimethylopropane phosphate, Trimethyolpropane phosphate, Ethyl bicyclic phosphate, TRIMETHYLOLPROPANE PHOSPHATE, C6H13O4P, EINECS 213-740-6, CID13869, NSC72890, BRN 1909748, ZINC01698775, FR-1172, WLN: T4PTJ AO BQ C2Q C1 DQ, LS-120406, 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, cyclic phosphate, 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide, 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-ethyl-, 1-oxide

Molecular Formula:	C₆H₁₁O₄P	Molecular Weight:	178.122901 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BYEFHDZWRALTEN-UHFFFAOYSA-N

• ETH-(E)-YLIDENE-PHENYL-AMINE

IUPAC Name: N-phenylethanimine | CAS Registry Number: 6052-11-5
Synonyms: Ethylideneaniline, Ethanimine, N-phenyl-, Aniline, N-ethylidene-, Ethylidenimine, N-phenyl-, Benzenamine, N-ethylidene-, Acetaldehyde-aniline Schiff base, MolPort-005-939-812, CID95796, NSC36980, EINECS 227-960-5, ZINC17300129, Acetaldehyde-aniline Schiff base, N-phenyl-

Molecular Formula:	C₈H₉N	Molecular Weight:	119.163760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: BHGHXAOHFWSPNE-UHFFFAOYSA-N

• Ethalfluralin

IUPAC Name: N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline | CAS Registry Number: 55283-68-6
Synonyms: Sonalan, Ethafluralin, Buvilan, ETHALFLURALIN, Edge, Ethalfluraline, Compound 94961, Caswell No. 453B, Ethalfluraline [ISO-French], Ethalfluralin [ANSI:BSI:ISO], HSDB 6474, EINECS 259-564-3, HSDB 7545, EL 161, EL-161, MolPort-003-933-392, AIDS057077, EL161, EPA Pesticide Chemical Code 113101, AIDS-057077

Molecular Formula:	C₁₃H₁₄F₃N₃O₄	Molecular Weight:	333.263170 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: PTFJIKYUEPWBMS-UHFFFAOYSA-N

• Ethambutol Hydrochloride

IUPAC Name: (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol dihydrochloride | CAS Registry Number: 1070-11-7
Synonyms: Myambutol, Dadibutol, Ethambutol HCL, Myambutol (TN), Ethambutol dihydrochloride, CCRIS 6606, SPECTRUM1500288, C10H24N2O2.2HCl, EINECS 213-970-7, Ethambutol hydrochloride [USAN:JAN], DRG-0111, CL 40881, Ethambutol hydrochloride (JP15/USP), LS-46541, D00878, (+)-2,2'-(Ethylenediimino)-di-1-butanol dihydrochloride, (S-(R*,R*))-2,2'-(Ethylenediimino)dibutan-1-ol dihydrochloride, 1-BUTANOL, 2,2'-(ETHYLENEDIIMINO)DI-, DIHYDROCHLORIDE, (+)-, 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, dihydrochloride, (S-(R*,R*))-, 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, dihydrochloride, (R-(R*,R*))-

Molecular Formula:	C₁₀H₂₆Cl₂N₂O₂	Molecular Weight:	277.231640 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	4

InChIKey: AUAHHJJRFHRVPV-BZDVOYDHSA-N

• ETHANAMINE,2-(1H-BENZO[D]IMIDAZOL-2-YLMETHOXY)-

IUPAC Name: 2-(1H-benzimidazol-2-ylmethoxy)ethanamine | CAS Registry Number: 102196-38-3
Synonyms: 2-(1H-benzimidazol-2-ylmethoxy)ethanamine, 2-((1H-Benzo[d]imidazol-2-yl)methoxy)ethanamine, AC1NFWF6, CTK8G4472, MolPort-000-861-583, BBL020608, STK893297, AKOS001476210, AK133386, KB-219859

Molecular Formula:	C₁₀H₁₃N₃O	Molecular Weight:	191.229720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: YQQGKTIURXPVPL-UHFFFAOYSA-N

• Ethanethiol (CAS: 1975-8-1)

• Ethanimidic Acid, N-Hydroxy-,Ethyl Ester

IUPAC Name: ethyl N-hydroxyethanimidate | CAS Registry Number: 10576-12-2
Synonyms: Ethyl N-hydroxyethanimidate, Ethyl N-hydroxyacetimidate, N-Hydroxyethanimidic acid, ethyl ester, CID99894, EINECS 234-165-7, NSC255004, Ethanimidic acid, N-hydroxy-, ethyl ester, NSC 255004

Molecular Formula:	C₄H₉NO₂	Molecular Weight:	103.119760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QWKAVVNRCKPKNM-UHFFFAOYSA-N

• Ethanol, 2-[(1-methyl-2-phenoxyethyl)amino]-

IUPAC Name: 2-[1-(phenoxy)propan-2-ylamino]ethanol | CAS Registry Number: 103-39-9
Synonyms: Oprea1_071616, Oprea1_497056, EINECS 203-107-2, CID101577, BAS 00341325, 2-((1-Methyl-2-phenoxyethyl)amino)ethanol, 2-(1-Methyl-2-phenoxy-ethylamino)-ethanol, A0780/0036509

Molecular Formula:	C₁₁H₁₇NO₂	Molecular Weight:	195.258180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: RANHEEPQMBBPKB-UHFFFAOYSA-N

• Ethanol,2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]-

IUPAC Name: 2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethanol | CAS Registry Number: 51437-95-7
Synonyms: 2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethanol, AC1L4BF8, SureCN8051948, FT-0675471, Triethylene Glycol Mono(p-nonylphenyl) Ether

Molecular Formula:	C₂₁H₃₆O₄	Molecular Weight:	352.508140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZIJRVWRFZGXKMY-UHFFFAOYSA-N

• Ethanol,2-[2-[2-(nonylphenoxy)ethoxy]ethoxy]-

IUPAC Name: 2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethanol | CAS Registry Number: 27176-95-0
Synonyms: 2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethanol, 2-{2-[2-(2-nonylphenoxy)ethoxy]ethoxy}ethanol, Triethylene glycol nonylphenyl ether, SureCN11002455, AC1L424K, alpha-Nonylphenyl-omega-hydroxytris(oxyethylene), Ethanol, 2-(2-(2-(nonylphenoxy)ethoxy)ethoxy)-

Molecular Formula:	C₂₁H₃₆O₄	Molecular Weight:	352.508140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: GDSSTYXBZTUGSJ-UHFFFAOYSA-N

• Ethanol,2-[2-[2-[2-(nonylphenoxy)ethoxy]ethoxy]ethoxy]-

IUPAC Name: 2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanol | CAS Registry Number: 27176-97-2
Synonyms: Tetraoxyethylene nonylphenyl ether, SureCN7892842, AC1L424L, Tetraethylene glycol monononylphenol ether, alpha-Nonylphenyl-omega-hydroxytetrakis(oxyethylene), 2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanol, Ethanol, 2-(2-(2-(2-(nonylphenoxy)ethoxy)ethoxy)ethoxy)-

Molecular Formula:	C₂₃H₄₀O₅	Molecular Weight:	396.560700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: XXSIKMDLPWYFIJ-UHFFFAOYSA-N

• ETHANOL,2-[2-[2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY]ETHOXY]-

IUPAC Name: 2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol | CAS Registry Number: 2315-62-0
Synonyms: Octoxynol-3, PEG-3 Octyl phenyl ether, Polyoxyethylene (3) octyl phenyl ether, CID3014091, Polyethylene glycol (3) octyl phenyl ether, 2-(2-(2-(Octylphenoxy)ethoxy)ethoxy)ethanol, Ethanol, 2-(2-(2-(octylphenoxy)ethoxy)ethoxy)-, 2-(2-(2-(p-(1,1,3,3,-Tetramethylbutyl)phenoxy)ethoxy)ethoxy)ethanol, Ethanol, 2-(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethoxy)-

Molecular Formula:	C₂₀H₃₄O₄	Molecular Weight:	338.481560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: KFYFCXRYPMEEAJ-UHFFFAOYSA-N

• ETHANOLAMINE (CAS: 143-43-5)

• Ethanolamines

IUPAC Name: 2-aminoethanol | CAS Registry Number: 141-43-5
Synonyms: Ethanolamine, monoethanolamine, 2-aminoethanol, colamine, Aminoethanol, Glycinol, Ethylolamine, Olamine, 2-Hydroxyethylamine, Ethanol, 2-amino-, beta-Aminoethanol, 2-Amino-1-ethanol, 2-Hydroxyethanamine, beta-Hydroxyethylamine, Thiofaco M-50, 2-Ethanolamine, beta-ethanolamine, beta-Aminoethyl alcohol, 2-Aminoethyl alcohol, MEA (alcohol)

Molecular Formula:	C₂H₇NO	Molecular Weight:	61.083080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: HZAXFHJVJLSVMW-UHFFFAOYSA-N