King Tang Chemical Group Industry Co., Ltd.

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Profile: King Tang Chemical Industry Group Co., Ltd. provides agrochemicals, dyestuff, pharmaceuticals, and chemical intermediates. Agrochemicals include 2-ethylsulfonylimidazo[1,2-a]pyridine-3-sulfonamide, amitraz, zinc phosphide, 1-methyl-4-ethoxycarbonyl-5-pyrazolsulfonamide, 1-phenyl-3-hydroxy-1,2,4-triazole, 2,3-dichloro-5-trifluoromethyl pyridine, dalapon-sodium, decamethrin and dichlormid. Chemical intermediates include 2,4-dichloronitrobenzene, 3,4-dimethylbenzophenone, (2-chlorophenyl)diphenyl chloromethane, 1,2,3-trichlorbenzene, 1-chloroethyl chloroformate, and 1-chloro-6,6-dimethyl-2-heptene-4-yne.

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• Acephate

IUPAC Name: N-[methoxy(methylsulfanyl)phosphoryl]acetamide | CAS Registry Number: 30560-19-1
Synonyms: acephate, Acetamidophos, Orthene, Ortran, Ortril, Chevron Orthene, Acephat [German], Acephate solution, Acephate, technical, Orthene-755, Caswell No. 002A, Spectrum_001899, Chevron RE 12,420, SpecPlus_000520, Ortho 124120, Spectrum2_001725, Spectrum3_000850, Spectrum4_000690, Spectrum5_002016, Acephate [ANSI:BSI:ISO]

Molecular Formula:	C₄H₁₀NO₃PS	Molecular Weight:	183.165861 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YASYVMFAVPKPKE-UHFFFAOYSA-N

• Acetamiprid

IUPAC Name: N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide | CAS Registry Number: 135410-20-7
Synonyms: Acetamipride, (E)-acetamiprid, (Z)-acetamiprid, Acetamiprid [ISO], HSDB 7274, NI 25, CHEBI:39163, CHEBI:39164, CHEBI:39165, NCGC00163881-01, NCGC00163881-02, LS-183006, (E)-N-(6-Chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine, C464485, N-((6-Chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide, (1E)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide, Ethanimidamide, N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methyl-, (E)-, N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide, (1Z)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide, (E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide

Molecular Formula:	C₁₀H₁₁ClN₄	Molecular Weight:	222.674140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: WCXDHFDTOYPNIE-UHFFFAOYSA-N

• Acifluorfen-sodium

IUPAC Name: sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate | CAS Registry Number: 62476-59-9
Synonyms: Carbofluorfen, Scifluorfen, Blazer, Acifluorfen sodium, Sodium Acifluorfen, Blazer 2S, Acifluorfen, sodium, Acifluorfen sodium salt, Caswell No. 755D, Acifluorfen, sodium salt, ACIFLUORFEN-SODIUM, Acifluorfen-sodium [ISO], Sodium salt of acifluorfen, HSDB 6551, EINECS 263-560-7, EPA Pesticide Chemical Code 114402, 50594-66-6 (Parent), CID44072, RH 6201, RH 6205

Molecular Formula:	C₁₄H₆ClF₃NNaO₅	Molecular Weight:	383.639120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: RVULBHWZFCBODE-UHFFFAOYSA-M

• Adenosine

IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 58-61-7
Synonyms: adenosine, Adenine riboside, Adenocard, Adenoscan, deoxyadenosine, Desoxyadenosine, Nucleocardyl, Sandesin, Boniton, Myocol, beta-Adenosine, beta-D-Adenosine, Adenine nucleoside, Polyadenosine, Adenosin, Adenyldeoxyriboside, Polyriboadenosine, Adenosin [German], adenine-D-ribose, 1odi

Molecular Formula:	C₁₀H₁₃N₅O₄	Molecular Weight:	267.241320 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N

• Alfacalcidol

IUPAC Name: (1R,3S,5E)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 41294-56-8
Synonyms: alfacalcidol, 1alpha-Hydroxypregnacalciferol, LMST03020661, CID5284515, (1S,3R,5E,7Z)-9,10-secocholesta-5,7,10-triene-1,3-diol, (5E,7Z)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol

Molecular Formula:	C₂₇H₄₄O₂	Molecular Weight:	400.637060 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: OFHCOWSQAMBJIW-GITLSTMWSA-N

• Alpha-Cypermethrin

IUPAC Name: [cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate | CAS Registry Number: 67375-30-8
Synonyms: Alphamethrin, Alfamethrin, Alfoxylate, Aeralfam, Ultimate, Alfazot, Concord, Contest, Dominex, Fendona, Bestox, Cismix, Fastac, Mageos, alpha-Cypermetrin, (+-)-Alphamethrin, Fastac 10 EC, ALPHACYPERMETHRIN, CYPEMETHRIM, alpha-Cypermethrin [BAN]

Molecular Formula:	C₂₂H₁₉Cl₂NO₃	Molecular Weight:	416.297160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: KAATUXNTWXVJKI-DXCJPMOASA-N

• Ambroxol

IUPAC Name: 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol | CAS Registry Number: 18683-91-5
Synonyms: ambroxol, Ambroxocompren, Ambrohexal, Ambrolitic, Bronchopront, Bronchowern, Dinobroxol, Farmabroxol, Mucosolvan, Mucotablin, Sekretovit, Abrohexal, Ambrobeta, Ambrofur, Ambroten, Ambroxin, Duramucal, Expeflen, Flavamed, Frenopect

Molecular Formula:	C₁₃H₁₈Br₂N₂O	Molecular Weight:	378.102820 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: JBDGDEWWOUBZPM-UHFFFAOYSA-N

• Amifostine trihydrate

IUPAC Name: 2-(3-aminopropylamino)ethylsulfanylphosphonic acid trihydrate | CAS Registry Number: 112901-68-5
Synonyms: amifostine, Ethyol, Amifostine hydrate, Anifostine trihydrate, Amifostine (USP), ETHYOL (TN), Amifostine [USAN:INN:BAN], C5H15N2O3PS.3H2O, NSC 296961, LS-172202, D00226, Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihydrate, S-(2-((3-Aminopropyl)amino)ethyl) dihydrogen phosphorothioate, trihydrate

Molecular Formula:	C₅H₂₁N₂O₆PS	Molecular Weight:	268.268801 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	8

InChIKey: TXQPXJKRNHJWAX-UHFFFAOYSA-N

• Aminooxyacetic acid hemihydrochloride

IUPAC Name: 2-aminooxyacetic acid hydrochloride | CAS Registry Number: 2921-14-4
Synonyms: carboxymethoxylamine, (aminooxy)acetic acid, C13408_ALDRICH, 21920_FLUKA, (Carboxymethoxy)amine hemihydrochloride, (Aminooxy)acetic acid hemihydrochloride, CID2723609, EU-0100007, NCGC00093533-01, O-(Carboxymethyl)hydroxylamine hemihydrochloride, Hydroxylamine-O-acetic acid hemihydrochloride

Molecular Formula:	C₄H₁₁ClN₂O₆	Molecular Weight:	218.592940 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	8

InChIKey: KBXIJIPYZKPDRU-UHFFFAOYSA-N

• Amiodarone Hydrochloride (CAS: 199774-82-4)

• Amiodarone hydrochloride

IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanone hydrochloride | CAS Registry Number: 19774-82-4
Synonyms: amiodarone, Cordarone, Ancaron, Cordarone (TN), Prestwick_707, Ancaron (TN), MLS000028520, MLS001076313, SPECTRUM2300165, Amiodarone hydrochloride (JAN), calcium channel (L type) blocker, CID441325, RJC 02270, NCGC00093613-01, NCGC00093613-02, NCGC00093613-03, NCGC00093613-04, CPD000058296, SAM001246646, SMR000058296

Molecular Formula:	C₂₅H₃₀ClI₂NO₃	Molecular Weight:	681.772540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ITPDYQOUSLNIHG-UHFFFAOYSA-N

• Amitraz

IUPAC Name: N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl]-N-methylmethanimidamide | CAS Registry Number: 33089-61-1
Synonyms: AMITRAZ, Mitac, Mitaban, Triazid, Taktic, Azadieno, Azaform, Ectodex, Edrizar, Acarac, Bipin, Amitraz estrella, Fumilat A, BAAM, Amitraze [French], Mitaban (Veterinary), Caswell No. 374A, Amitrazum [INN-Latin], Upjohn U-36059, Amitraz (USP/INN)

Molecular Formula:	C₁₉H₂₃N₃	Molecular Weight:	293.406020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: QXAITBQSYVNQDR-UHFFFAOYSA-N

• Avermectin B1

Synonyms: Abamectinum, Abamectin, Vertimec, Agrimek, Affirm, Avomec, Zephyr, Avid, avermectin B1, Agri-Mek, Abamectin [ANSI], Abamectin [USAN], Avermectin B(sub 1), AVID EC, Abamectin [ANSI:ISO], HSDB 6941, MK 936, ABAMECTIN (4:1 MIXTURE), EPA Pesticide Chemical Code 122804, MK 0936

Molecular Formula:	C₉₅H₁₄₂O₂₈	Molecular Weight:	1732.127180 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	28

InChIKey: IBSREHMXUMOFBB-MVGRHBATSA-N

• Azelastine

IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one | CAS Registry Number: 58581-89-8
Synonyms: azelastine, Optivar, Astelin, Azeptin, Azelastine (INN), Optivar (TN), Azelastinum [INN-Latin], Azelastina [INN-Spanish], Azelastine [INN:BAN], Spectrum2_000649, Spectrum3_001984, C22H24ClN3O, BSPBio_003584, SPBio_000657, KBio3_002992, CID2267, BRN 0900747, DB00972, NCGC00177979-01, LS-109214

Molecular Formula:	C₂₂H₂₄ClN₃O	Molecular Weight:	381.898460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: MBUVEWMHONZEQD-UHFFFAOYSA-N

• Azithromycin

IUPAC Name: (2R,3S,4S,5R,6R,8R,11R,12R,13S,14R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,12,13-trihydroxy-3-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,6,8,10,11,13-heptamethyl-15-oxa-10-azacyclopentadecan-1-one | CAS Registry Number: 83905-01-5
Synonyms: azithromycin, Zithromax, Zitromax, Sumamed, Zmax, Azythromycin, Toraseptol, Zithromycin, Azitrocin, Azitromax, Hemomycin, Misultina, Mixoterin, Zentavion, Zithromac, Zitrotek, Azasite, Zithrax, Azenil, Aziwok

Molecular Formula:	C₃₈H₇₂N₂O₁₂	Molecular Weight:	748.984480 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	14

InChIKey: MQTOSJVFKKJCRP-BICOPXKESA-N

• Beclometasone dipropionate

IUPAC Name: [(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate | CAS Registry Number: 5534-09-8
Synonyms: Beclovent, Vanceril, Becloturmant, Becloforte, Beclorhinol, Sanasthmax, Sanasthmyl, Aldecina, Aldecine, Beclacin, Beclomet, Beconase, Becotide, Benconase, Entyderma, Korbutone, Propaderm, Respocort, Rhinosol, Turbinal

Molecular Formula:	C₂₈H₃₇ClO₇	Molecular Weight:	521.042180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: KUVIULQEHSCUHY-XYWKZLDCSA-N

• Benalaxyl

IUPAC Name: methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate | CAS Registry Number: 71626-11-4
Synonyms: Galben, BENALAXYL, Benalaxyl [BSI:ISO], Caswell No. 471AC, 36760_RIEDEL, EINECS 275-728-7, EPA Pesticide Chemical Code 127001, BRN 3001587, LS-16084, M 9834, Methyl N-phenylacetyl-N-2,6-xylyl-DL-alaninate, C10929, Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-DL-alaninate, N-(2,6-Dimethylphenyl)-N-(phenylacetyl)-DL-alanine methyl ester, Alanine, N-(2,6-dimethylphenyl)-N-(phenylacetyl)-, methyl ester, DL-, DL-Alanine, N-(2,6-dimethylphenyl)-N-(phenylacetyl)-, methyl ester

Molecular Formula:	C₂₀H₂₃NO₃	Molecular Weight:	325.401520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: CJPQIRJHIZUAQP-UHFFFAOYSA-N

• Benzene, 1-(chloromethyl)-3-fluoro-

IUPAC Name: 1-(chloromethyl)-3-fluorobenzene | CAS Registry Number: 456-42-8
Synonyms: 3-Fluorobenzyl chloride, 3-Fluorobenzylchloride, M-FLUOROBENZYL CHLORIDE, alpha-Chloro-3-fluorotoluene, alpha-Chloro-m-fluorotoluene, F7806_ALDRICH, Toluene, .alpha.-chloro-m-fluoro-, .alpha.-Chloro-m-fluorotoluene, 1-(Chloromethyl)-3-fluorobenzene, 1-Chloromethyl-3-fluorobenzene, .alpha.-Chloro-3-fluorotoluene, 46821_FLUKA, CID9974, NSC60720, EINECS 207-264-8, NSC 60720, ZINC00164512, Toluene, alpha-chloro-m-fluoro- (8CI), F118, ST5214003

Molecular Formula:	C₇H₆ClF	Molecular Weight:	144.573943 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: XBDXMDVEZLOGMC-UHFFFAOYSA-N

• Benzofluorfen

IUPAC Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]oxyacetic acid | CAS Registry Number: 77501-60-1
Synonyms: Fluoroglicofene, Fluoroglycofen, Fluoroglicofene [ISO-French], Fluoroglycofen [ANSI:BSI:ISO], CID92395, 2-(5-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoyl)oxyacetic acid, Carboxymethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate, Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, carboxymethyl ester, O-(5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoyl)glycolic acid, 118340-11-7, 5-((2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyl)oxy)-2-nitrobenzoic acid ester with glycolic acid

Molecular Formula:	C₁₆H₉ClF₃NO₇	Molecular Weight:	419.693370 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	10

InChIKey: DHAHEVIQIYRFRG-UHFFFAOYSA-N

• Benzoic acid

IUPAC Name: benzoic acid | CAS Registry Number: 65-85-0
Synonyms: benzoic acid, phenylformic acid, benzoate, Dracylic acid, benzenecarboxylic acid, Carboxybenzene, Benzeneformic acid, Retardex, Benzoesaeure GK, Benzoesaeure GV, Retarder BA, Tenn-Plas, Salvo liquid, Solvo powder, Acide benzoique, Unisept BZA, Benzenemethanoic acid, Phenylcarboxylic acid, Flowers of benzoin, Benzoesaeure

Molecular Formula:	C₇H₆O₂	Molecular Weight:	122.121340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-N

• Beta-Cypermethrin

IUPAC Name: [(S)-cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate | CAS Registry Number: 65731-84-2
Synonyms: NRDC 168S, CHEBI:39336, (1R)-cis-(alphaS)-cypermethrin, EINECS 265-898-0, (S)-cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate, alpha-Cyano-3-phenoxybenzyl (1R-(1alpha(S*),3alpha))-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate, Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1R-(1alpha(S*),3alpha))-

Molecular Formula:	C₂₂H₁₉Cl₂NO₃	Molecular Weight:	416.297160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: KAATUXNTWXVJKI-NSHGMRRFSA-N

• Betamethasone

IUPAC Name: (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 378-44-9
Synonyms: betamethasone, Rinderon, Celestone, Betadexamethasone, Betafluorene, Betamamallet, Betamethazone, Flubenisolone, Betacorlan, Betacortril, Betapredol, Betasolon, Betnelan, Betsolan, Celestene, Hormezon, Methazon, Valisone, Visubeta, Bedifos

Molecular Formula:	C₂₂H₂₉FO₅	Molecular Weight:	392.461063 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: UREBDLICKHMUKA-DVTGEIKXSA-N

• Bifenthrin

IUPAC Name: (2-methyl-3-phenylphenyl)methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate | CAS Registry Number: 82657-04-3
Synonyms: Biphenthrin, Talstar, Bifenthrine, Biphentrin, Biphenate, Brigade, Capture, BIFENTHRIN, Caswell No. 463F, Bifenthrine [ISO-French], Bifenthrin [ANSI:BSI:ISO], HSDB 6568, FMC 54800, FMC 58000, EPA Pesticide Chemical Code 128825, NCGC00163762-01, NCGC00163762-02, LS-58614, C10980, C099952

Molecular Formula:	C₂₃H₂₂ClF₃O₂	Molecular Weight:	422.867790 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: OMFRMAHOUUJSGP-UNOMPAQXSA-N

• Biotin

IUPAC Name: 5-[(3aR,6S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoic acid | CAS Registry Number: 58-85-5
Synonyms: biotin, d-biotin, coenzyme R, vitamin H, Bioepiderm, Vitamin B7, Biodermatin, Medebiotin, Injacom H, Meribin, Factor S, beta-Biotin, Vitamin Bw, Bios II, 1avd, 1ndj, 1stp, 1swg, 1swk, 1swn

Molecular Formula:	C₁₀H₁₆N₂O₃S	Molecular Weight:	244.310640 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: YBJHBAHKTGYVGT-ZKWXMUAHSA-N

• Bromamine Acid

IUPAC Name: 1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonic acid | CAS Registry Number: 116-81-4
Synonyms: Bromaminic acid, Bromamine acid, Alizarine Cyanol Grey G, Alizarine Cyanol Grey G (VAN), NSC7574, NSC 7574, EINECS 204-159-9, BAS 00101828, 1-Amino-4-bromo-2-anthraquinonesulfonic acid, 2-Anthracenesulfonic acid, 1-amino-4-bromo-, 1-Amino-4-bromo-2-anthraquinone sulfonic acid, 1-Amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid, 2-Anthracenesulfonic acid, 1-amino-4-bromo-9,10-dihydro-9,10-dioxo-, 1-Amino-4-bromo-2-anthraquinonesulfonic acid, sodium salt acid, 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid, 1-Amino-4-bromo-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid, 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium salt, 6258-06-6

Molecular Formula:	C₁₄H₈BrNO₅S	Molecular Weight:	382.186020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: QZZSAWGVHXXMID-UHFFFAOYSA-N

• Captopril

IUPAC Name: (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 62571-86-2
Synonyms: captopril, Captopryl, Capoten, L-Captopril, Cesplon, Acepress, Alopresin, Capozide, Captolane, Captoril, Garranil, Hypertil, Tenosbon, Tensoprel, Acediur, Aceplus, Acepril, Dilabar, Lopril, Isopresol

Molecular Formula:	C₉H₁₅NO₃S	Molecular Weight:	217.285300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FAKRSMQSSFJEIM-RQJHMYQMSA-N

• Carbaryl

IUPAC Name: naphthalen-1-yl N-methylcarbamate | CAS Registry Number: 63-25-2
Synonyms: Carbaril, Sevin, CARBARYL, Karbaspray, Carylderm, Menaphtam, Tricarnam, Caprolin, Carbatox, Carbavur, Carpolin, Dicarbam, Karbatox, Karbosep, Arilate, Denapon, Gamonil, Hexavin, Seffein, Septene

Molecular Formula:	C₁₂H₁₁NO₂	Molecular Weight:	201.221240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CVXBEEMKQHEXEN-UHFFFAOYSA-N

• Carbendazim

IUPAC Name: methyl N-(1H-benzimidazol-2-yl)carbamate | CAS Registry Number: 10605-21-7
Synonyms: Carbendazole, Mecarzole, Carbendazime, Carbendazol, Bavistin, Thicoper, Derosal, Funaben, Carbendazym, Equitdazin, Falicarben, Pillarstin, Supercarb, Bavistan, Fungisol, Garbenda, Kemdazin, Medamine, Triticol, Agrizim

Molecular Formula:	C₉H₉N₃O₂	Molecular Weight:	191.186660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: TWFZGCMQGLPBSX-UHFFFAOYSA-N

• Cartap hydrochloride

IUPAC Name: S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate hydrochloride | CAS Registry Number: 15263-52-2
Synonyms: Cartap HCl, 45995_RIEDEL, 45995_FLUKA, HSDB 6583, 15263-53-3 (Parent), CID30913, 1,3-Di(carbamoylthio)-2-(dimethylamino)propane hydrochloride, 1,3-Bis(carbamoylthio)-2-(N,N-dimethylamino)propane hydrochloride, S,S'-(2-(Dimethylamino)-1,3-propanediyl)dicarbamothioate hydrochloride, S,S'-(2-(Dimethylamino)trimethylene) bis(thiocarbamate) hydrochloride, Carbamothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester, hydrochloride, 22042-59-7

Molecular Formula:	C₇H₁₆ClN₃O₂S₂	Molecular Weight:	273.803840 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: MSHXTAQSSIEBQS-UHFFFAOYSA-N

• Celiprolol

IUPAC Name: 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea | CAS Registry Number: 56980-93-9
Synonyms: celiprolol, Celiptolol, Selectol, Celiprolol PCH, Celiprolol (INN), Celiprolol PCH (TN), Celiprololum [INN-Latin], Celiprolol [INN:BAN], CCRIS 3400, CELIPROLOL HYDROCHLORIDE, EINECS 260-497-7, REV-5320A, RHC-5320A, C20H33N3O4, RHC 5320 A, BRN 2776298, LS-7258, ST-1396, UL/1677, D07660

Molecular Formula:	C₂₀H₃₃N₃O₄	Molecular Weight:	379.493720 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: JOATXPAWOHTVSZ-UHFFFAOYSA-N

• Chlorfenapyr

IUPAC Name: 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile | CAS Registry Number: 122453-73-0
Synonyms: Pirate, Kotetsu, Pylon, Pirate 3F, Chlorfenapyr [ISO], 37913_RIEDEL, CHEBI:39347, HSDB 7464, CID91778, AC 303630, CL 303630, NCGC00163740-01, LS-136639, 1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-, 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile, 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrol-3-carbonitrile

Molecular Formula:	C₁₅H₁₁BrClF₃N₂O	Molecular Weight:	407.612850 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: CWFOCCVIPCEQCK-UHFFFAOYSA-N

• Chlorobenzene

IUPAC Name: chlorobenzene | CAS Registry Number: 108-90-7
Synonyms: CHLOROBENZENE, Monochlorobenzene, Phenyl chloride, Benzene chloride, Benzene, chloro-, Chlorbenzene, Chlorobenzol, Chlorbenzol, Monochlorbenzene, Chloorbenzeen, Monochlorbenzol, Chlorobenzen, Clorobenzene, Tetrosin SP, Monochlorobenzol, Monoclorobenzene, Monochloorbenzeen, Chlorobenzene, mono-, PhCl, Chlorobenzene Mono

Molecular Formula:	C₆H₅Cl	Molecular Weight:	112.556900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: MVPPADPHJFYWMZ-UHFFFAOYSA-N

• Chlorotriphenylmethane

IUPAC Name: [chloro-di(phenyl)methyl]benzene | CAS Registry Number: 76-83-5
Synonyms: Trityl chloride, Triphenylmethyl chloride, Triphenylchloromethane, Methane, chlorotriphenyl-, CHLOROTRIPHENYLMETHANE, T83801_ALDRICH, (chloro-diphenylmethyl)benzene, HSDB 2807, NSC 435, NSC435, 93000_FLUKA, EINECS 200-986-4, BRN 0397363, 1,1',1''-(Chloromethylidyne)trisbenzene, Benzene, 1,1',1''-(chloromethylidyne)tris-, AI3-51298, Triphenylmethyl-containing compound, 11, LS-90014, TL806144, 4-05-00-02497 (Beilstein Handbook Reference)

Molecular Formula:	C₁₉H₁₅Cl	Molecular Weight:	278.775400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: JBWKIWSBJXDJDT-UHFFFAOYSA-N

• Chlorpropham

IUPAC Name: propan-2-yl N-(3-chlorophenyl)carbamate | CAS Registry Number: 101-21-3
Synonyms: chlorpropham, Preventol, Taterpex, Elbanil, Metoxon, Nexoval, Preweed, Furloe, Stopgerme-S, Sprout Nip, Mirvale, Bygran, ChlorIPC, CHLOROPROPHAM, Spud-Nic, Spud-Nie, Chloro-IFK, Chloro-IPC, Keim-stop, Triherbicide CIPC

Molecular Formula:	C₁₀H₁₂ClNO₂	Molecular Weight:	213.660780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CWJSHJJYOPWUGX-UHFFFAOYSA-N

• Chlorpyrifos

IUPAC Name: diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-$l^{5}-phosphane | CAS Registry Number: 2921-88-2
Synonyms: chlorpyrifos, Chlorpyriphos, Dursban, Trichlorpyrphos, Lorsban, Killmaster, Danusban, Dhanusban, Geodinfos, Piridane, Bonidel, Coroban, Lentrek, Pyrinex, Spannit, Stipend, Tafaban, Brodan, Durmet, Equity

Molecular Formula:	C₉H₁₁Cl₃NO₃PS	Molecular Weight:	350.586301 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: SBPBAQFWLVIOKP-UHFFFAOYSA-N

• Chlorsulfuron

IUPAC Name: 1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea | CAS Registry Number: 64902-72-3
Synonyms: CHLORSULFURON, Chlorosulfuron, Chlorsulfon, Trilixon, Finesse, Glean, Telar, 2-Chlorsulfuron, Chlorsulphuron, Khardin, Glean C, Glean 20DF, Caswell No. 194AA, ChemDiv1_004813, PS1065_SUPELCO, Chlorsulfuron [ANSI:BSI:ISO], HSDB 6847, MLS001066361, 34322_RIEDEL, DPX 4189

Molecular Formula:	C₁₂H₁₂ClN₅O₄S	Molecular Weight:	357.772780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: VJYIFXVZLXQVHO-UHFFFAOYSA-N

• Chlorthal-dimethyl

IUPAC Name: dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate | CAS Registry Number: 1861-32-1
Synonyms: dacthal, Dacthalor, Fatal, Chlorthal-methyl, Tetral, DCPA, Chlorothal, Chlorthal, Dactal, Daktal [Czech], TCTP, Caswell No. 382, Chlorthal dimethyl ester, DAC 4, DCPA (VAN), Spectrum_001803, SpecPlus_000394, PS33_SUPELCO, Spectrum2_001876, Spectrum3_000817

Molecular Formula:	C₁₀H₆Cl₄O₄	Molecular Weight:	331.964240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: NPOJQCVWMSKXDN-UHFFFAOYSA-N

• Cilostazol

IUPAC Name: 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 73963-72-1
Synonyms: cilostazol, Pletal, Pletaal, Cilostazole, Pletal (TN), Cilostazolum [INN-Latin], Cilostazol [INN:JAN], Tocris-1692, Spectrum2_001118, Spectrum3_001170, Spectrum4_000772, Spectrum5_001762, Lopac-C-0737, OPC 21, Otsuka brand of cilostazol, Lopac0_000218, OPC-13013, BSPBio_002759, KBioGR_001184, Pharmacia brand of cilostazol

Molecular Formula:	C₂₀H₂₇N₅O₂	Molecular Weight:	369.460680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: RRGUKTPIGVIEKM-UHFFFAOYSA-N

• Cimetidine

IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine | CAS Registry Number: 51481-61-9
Synonyms: cimetidine, Tagamet, Cimetag, Cimetidina, Cimetidinum, Eureceptor, Gastrobitan, Ulcomedina, Acibilin, Dyspamet, Gastromet, Metracin, Ulcedine, Ulcerfen, Ulcestop, Valmagen, Cimetum, Edalene, Tametin, Ulcedin

Molecular Formula:	C₁₀H₁₆N₆S	Molecular Weight:	252.339240 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-N

• Cimetidine

IUPAC Name: (5-methyl-1H-imidazol-4-yl)methanol hydrochloride | CAS Registry Number: 38585-62-5
Synonyms: 227420_ALDRICH, EINECS 254-021-7, 4-Methylimidazol-5-ylmethanolhydrochloride, 4-Methyl-5-imidazolemethanol hydrochloride, T5614881

Molecular Formula:	C₅H₉ClN₂O	Molecular Weight:	148.590760 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: UBHDUFNPQJWPRQ-UHFFFAOYSA-N

• Cinosulfuron

IUPAC Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[2-(2-methoxyethoxy)phenyl]sulfonylurea | CAS Registry Number: 94593-91-6
Synonyms: Cinosulfuron [ISO], 37893_RIEDEL, 37893_FLUKA, CGA 142464, CID92420, ZINC02243725, LS-31521, 1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-3-(2-(2-methoxyethoxy)phenylsulfonyl)urea (IUPAC), Benzenesulfonamide, N-(((4,6-dimethoxy-1,3,5-triazin-2-yl)amino)carbonyl)-2-(2-methoxyethoxy)-

Molecular Formula:	C₁₅H₁₉N₅O₇S	Molecular Weight:	413.405660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: WMLPCIHUFDKWJU-UHFFFAOYSA-N

• Citalopram

IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile | CAS Registry Number: 59729-33-8
Synonyms: citalopram, Nitalapram, Cytalopram, Cipram, Escitalopram, Citadur, Lexapro, [3H]Citalopram, Citadur (TN), Citalopram [Celexa], Citalopramum [INN-Latin], citalopram hydrobromide, Citalopram (USP/INN), Citalopram [BAN:INN], Citalopram [INN:BAN], Prestwick3_000692, Lopac0_000258, BSPBio_000843, BPBio1_000929, C20H21FN2O

Molecular Formula:	C₂₀H₂₁FN₂O	Molecular Weight:	324.391943 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: WSEQXVZVJXJVFP-UHFFFAOYSA-N

• Clodinafop-Propargyl

IUPAC Name: prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate | CAS Registry Number: 105512-06-9
Synonyms: Discover, Topik, Discover Herbicide, Discover? Herbicide, Clodinafop-propargyl [ISO], HSDB 7007, TPC-PC006, 46122_RIEDEL, CGA 184927, NCGC00164311-01, NCGC00164311-02, LS-195705, (R)-2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propionic acid 2-propynyl ester, Propanoic acid, 2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)-, 2-propynyl ester, (R)-, prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate, 126301-94-8, 126572-25-6

Molecular Formula:	C₁₇H₁₃ClFNO₄	Molecular Weight:	349.740823 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: JBDHZKLJNAIJNC-LLVKDONJSA-N

• Clomazone

IUPAC Name: 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one | CAS Registry Number: 81777-89-1
Synonyms: Dimethazone, Magister, Command, Gamit, Clomazone [ISO], 46120_RIEDEL, HSDB 6614, FMC 57020, EPA Pesticide Chemical Code 125401, FMC57020, NCGC00163923-01, NCGC00163923-02, LS-86761, 2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one, 2-(2-Chlorobenzyl)-4,4-dimethyl-3-isoxazolidinone, C11095, 2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one, 2-((2-Chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinone, 3-ISOXAZOLIDINONE, 2-((2-CHLOROPHENYL)METHYL)-4,4-DIMETHYL-, 89493-06-1

Molecular Formula:	C₁₂H₁₄ClNO₂	Molecular Weight:	239.698060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: KIEDNEWSYUYDSN-UHFFFAOYSA-N

• Clopidogrel

IUPAC Name: methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate | CAS Registry Number: 113665-84-2
Synonyms: clopidogrel, Plavix, (+)-Clopidogrel, Clopidogrel (TN), Clopidogrel (INN), Plavix (TN), Spectrum_000105, Clopidogrel [BAN:INN], Clopidogrel [INN:BAN], Spectrum2_000512, Spectrum3_001606, Spectrum4_000175, CLOPIDOGREL SULFATE, C16H16ClNO2S, BSPBio_003211, KBioGR_000689, KBioSS_000545, MLS001165708, MLS001195633, MLS001304711

Molecular Formula:	C₁₆H₁₆ClNO₂S	Molecular Weight:	321.821740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: GKTWGGQPFAXNFI-HNNXBMFYSA-N

• Clopidogrel hydrogen sulfate

IUPAC Name: methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate; sulfuric acid | CAS Registry Number: 120202-66-6
Synonyms: Plavix, Iscover, Clopidogrel bisulfate, Isocover, Isocover (TN), Clopidogrel hemisulfate, Plavix (TN), CLOPIDOGREL SULFATE, Clopidogrel hydrogensulfate, Clopidogrel Bisulfate [USAN], Clopidogrel sulfate (JAN), Clopidogrel bisulfate (USAN), SPECTRUM1503710, C16H16ClNO2S.H2O4S, SR 25990C, CID115366, PM-103, SR-25990C, DV-7314, LS-152396

Molecular Formula:	C₁₆H₁₈ClNO₆S₂	Molecular Weight:	419.900220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: FDEODCTUSIWGLK-RSAXXLAASA-N

• Cyanuric Chloride

IUPAC Name: 2,4,6-trichloro-1,3,5-triazine | CAS Registry Number: 108-77-0
Synonyms: Cyanuric chloride, Chlorotriazine, Cyanur chloride, Cyanurchloride, Cyanuryl chloride, Trichlorocyanidine, Kyanurchlorid, Tricholorotriazine, Cyanuric trichloride, Tricyanogen chloride, Trichloro-s-triazine, Cyanuric acid chloride, s-Triazine trichloride, syn-Trichlotriazin, sym-Trichlorotriazine, s-Trichlorotriazine, Kyanurchlorid [Czech], 1,3,5-Trichlorotriazine, 2,4,6-Trichlorotriazine, Cyanuric acid trichloride

Molecular Formula:	C₃Cl₃N₃	Molecular Weight:	184.411200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: MGNCLNQXLYJVJD-UHFFFAOYSA-N

• Cyhalothrin

IUPAC Name: [cyano-[3-(phenoxy)phenyl]methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate | CAS Registry Number: 68085-85-8
Synonyms: Commodore, CYHALOTHRIN, Sentinel, Matador, Icon, lambdacyhalothrin, lambclacyhalothrin, Karate insecticide, Cyhalothrin (BAN), Coopertix [veterinary], Coopertix [veterinary] (TN), CHEBI:4035, OMS 3021, OMS-3021, PP 321, CID5281873, C10983, D07762, C037304, 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester

Molecular Formula:	C₂₃H₁₉ClF₃NO₃	Molecular Weight:	449.850070 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: ZXQYGBMAQZUVMI-UNOMPAQXSA-N

• Cyproterone acetate

Synonyms: Androcur, CYPROTERONE ACETATE, Cyproteron acetate, Cyproteron-R acetate, Cyproteroneacetate, Cyprosterone acetate, Cyproterone 17-O-acetate, Cyproterone 17alpha-acetate, Cyproterone 17.alpha.-acetate, CCRIS 4385, Lopac0_000301, SH 714, C24H29ClO4, Cyproterone acetate [USAN:JAN], HSDB 3592, MLS000859908, MLS001055462, MLS001066353, C3412_SIGMA, NSC81430

Molecular Formula:	C₂₄H₂₉ClO₄	Molecular Weight:	416.937660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: UWFYSQMTEOIJJG-FDTZYFLXSA-N

• Cyromazine

IUPAC Name: 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine | CAS Registry Number: 66215-27-8
Synonyms: Larvadex, Vetrazin, Trigard, CYROMAZINE, Azimethiphos, Cyclopropylmelamine, Cypromazine, Vetrazine, Neporex, Citation, Armor, Larvadex Premix, Cyromazin, N-cyclopropylmelamine, Vetrazin (pesticide), Cyromazine (INN), Neporex (TN), Caswell No. 167B, Cyromazine [BAN:INN], Cyromazinum [INN-Latin]

Molecular Formula:	C₆H₁₀N₆	Molecular Weight:	166.183800 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: LVQDKIWDGQRHTE-UHFFFAOYSA-N