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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

• Adefovir

IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid | CAS Registry Number: 106941-25-7
Synonyms: ADEFOVIR, PMEA, Adefovir [USAN:INN], 9-PMEA, Adefovir (USAN/INN), 9-(2-Phosphonylmethoxyethyl)adenine, GS 393, C8H12N5O4P, 9-(2-phosphonomethoxyethyl)adenine, DRG-0156, N-(2-Phosphonylmethoxyethyl)adenine, GS 0393, 9-(2-(Phosphonomethoxy)ethyl)adenine, AIDS000048, AIDS-000048, CID60172, GS-0393, 9-(2-Phosphorylmethoxyethyl)adenine, 9-[2-Phosphonylmethoxyethyl]adenine, BRN 3561094

Molecular Formula:	C₈H₁₂N₅O₄P	Molecular Weight:	273.185741 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: SUPKOOSCJHTBAH-UHFFFAOYSA-N

• Amlodipine Besylate

IUPAC Name: benzenesulfonic acid; 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 111470-99-6
Synonyms: Norvasc, Amlogard, Cardiorex, Cordarene, Monopina, Norlopin, Tensivask, Amdepin, Amdipin, Amlodin, Amlopin, Amlosyn, Antacal, Astudar, Myodura, Norvask, Amcard, Norvas, Pelmec, Terloc

Molecular Formula:	C₂₆H₃₁ClN₂O₈S	Molecular Weight:	567.050940 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	10

InChIKey: ZPBWCRDSRKPIDG-UHFFFAOYSA-N

• Anhydrous Hydrogen Chloride

IUPAC Name: hydrogen chloride | CAS Registry Number: 7647-01-0
Synonyms: hydrochloric acid, hydrogen chloride, hydrochloride, Muriatic acid, Bowl Cleaner, chlorane, chlorum, Spirits of salt, Hydrogenchlorid, Chlorohydric acid, Chlore, chloridohydrogen, Chlor, Chlorwasserstoff, Cloro, Acid, Muriatic, Wasserstoffchlorid, 4-D Bowl Sanitizer, Acid, Hydrochloric, Chloride, Hydrogen

Molecular Formula:	ClH	Molecular Weight:	36.460940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	0

InChIKey: VEXZGXHMUGYJMC-UHFFFAOYSA-N

• Berberine

Synonyms: berberine, Berberin, Umbellatine, Berbericine, Umbellatin, Berbinium, Majarine, Thalsine, Coptis rhizome, Umbellatine (6CI), Coptis rhizome (TN), nchembio.105-comp4, nchembio.123-comp2, Powdered coptis rhizome, Spectrum_001110, Coptis rhizome (JP15), Prestwick0_000586, Prestwick1_000586, Prestwick2_000586, Prestwick3_000586

Molecular Formula:	C₂₀H₁₈NO₄+	Molecular Weight:	336.361220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: YBHILYKTIRIUTE-UHFFFAOYSA-N

• Calcium

IUPAC Name: calcium | CAS Registry Number: 7440-70-2
Synonyms: CALCIUM, Kalzium, Calcio, Calcium compounds, Calcium dihydride, Factor IV, calcium(0), CALCIUM HYDRIDE, Coagulation Factor IV, Factor IV, Coagulation, Calcium hydride (CaH2), 20Ca, Blood Coagulation Factor IV, HSDB 273, Ca(0), 213268_ALDRICH, 215147_ALDRICH, 327387_ALDRICH, 441872_ALDRICH, 465895_ALDRICH

Molecular Formula:	Ca	Molecular Weight:	40.078000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: OYPRJOBELJOOCE-UHFFFAOYSA-N

• Carboxin

IUPAC Name: 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide | CAS Registry Number: 5234-68-4
Synonyms: Carbathiin, CARBOXIN, Carboxine, Vitavax, Oxatin, Carbathiine, Murganic, Vitaflow, Cerevax, Enhance, Kemikar, Kisvax, Vitavax 75W, Cerevax Extra, Enhance Plus, Germate Plus, DCMO, DMOC, Karboxyn, Vitavax 100

Molecular Formula:	C₁₂H₁₃NO₂S	Molecular Weight:	235.302120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GYSSRZJIHXQEHQ-UHFFFAOYSA-N

• Carmazine

IUPAC Name: zinc; manganese(2+); N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate | CAS Registry Number: 8018-01-7
Synonyms: Dithane, Manzeb, MANCOZEB, 1,2-Ethanedicarbamic acid, tetrathio-, ethylenebisdithiocarbamate manganese-zinc, NCGC00168344-01, LS-63091, C15225, C013099, manganese(2+) ethane-1,2-diylbis(dithiocarbamate) zinc ethane-1,2-diylbis(dithiocarbamate), 12656-69-8, 172672-41-2

Molecular Formula:	C₈H₁₂MnN₄S₈Zn	Molecular Weight:	541.074729 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: CHNQZRKUZPNOOH-UHFFFAOYSA-J

• Cartap

IUPAC Name: S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate | CAS Registry Number: 15263-53-3
Synonyms: Thiobel, Sanvex, Padan, Cartap [BSI:ISO], CHEBI:3436, C7H15N3O2S2, CID27159, BRN 1954913, 1,3-Di(carbamoylthio)-2-dimethylaminopropane, 2-Dimethylamino-1,3-bis(carbamoylthio)propane, NCGC00166201-01, LS-50668, T-1258, 1,3-Bis(carbamoylthio)-2-(N,N-dimethylamino)propane, S,S'-(2-Dimethylaminotrimethylene) bis(thiocarbamate), C11080, S,S'-(2-(Dimethylamino)-1,3-propanediyl)dicarbamothioate, carbamothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester, S,S'-(2-(dimethylamino)-1,3-propanediyl) dicarbamothioate, CARBAMIC ACID, THIO-, S,S'-(2-(DIMETHYLAMINO)TRIMETHYLENE) ESTER

Molecular Formula:	C₇H₁₅N₃O₂S₂	Molecular Weight:	237.342900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IRUJZVNXZWPBMU-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

• Deltamethrin

IUPAC Name: [(S)-cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate | CAS Registry Number: 52918-63-5
Synonyms: deltamethrin, Decamethrin, Decamethrine, Deltamethrine, Esbecythrin, Crackdown, Deltacide, Deltagran, Stricker, Suspend, Butoss, Cislin, Zodiac, Zorcis, Butox, Decis, DeltaGard, New Musigie, Butoflin, K-Othrine

Molecular Formula:	C₂₂H₁₉Br₂NO₃	Molecular Weight:	505.199160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: OWZREIFADZCYQD-NSHGMRRFSA-N

• Deticene

IUPAC Name: (5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide | CAS Registry Number: 4342-03-4
Synonyms: dacarbazine, Biocarbazine, Decarbazine, DTIC-Dome, Biocarbazine R, Imidazole carboxamide, DTIC, ICDT, DTICDome, DTIE, ICDMT, DTIC Dome, Spectrum_000884, Prestwick0_000574, Prestwick1_000574, Prestwick2_000574, Prestwick3_000574, Spectrum2_001148, Spectrum3_000366, Spectrum4_000308

Molecular Formula:	C₆H₁₀N₆O	Molecular Weight:	182.183200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: OMJKFYKNWZZKTK-POHAHGRESA-N

• Difenoconazole

IUPAC Name: 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | CAS Registry Number: 119446-68-3
Synonyms: Dividend, Dragon, Plover, Score, Difenoconazol, Dividend (fungicide), Score EC 250, Difenoconazole [ISO], 36531_RIEDEL, CGA 169374, CID86173, NCGC00163894-01, NCGC00163894-02, LS-155877, C115058, 1-((2-(2-Chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 1-((2-(2-chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-, 1-((2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole, 1-({2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole

Molecular Formula:	C₁₉H₁₇Cl₂N₃O₃	Molecular Weight:	406.262580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: BQYJATMQXGBDHF-UHFFFAOYSA-N

• Edetic Acid

IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid | CAS Registry Number: 60-00-4
Synonyms: Edetic acid, Edathamil, Endrate, EDTA, Versene acid, Sequestrol, Titriplex, Havidote, Cheelox, Versene, Sequestric acid, Warkeelate acid, Gluma cleanser, Sequestrene aa, Universne acid, Komplexon ii, Quastal Special, Tetrine acid, Dissolvine E, Trilon bw

Molecular Formula:	C₁₀H₁₆N₂O₈	Molecular Weight:	292.242640 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: KCXVZYZYPLLWCC-UHFFFAOYSA-N

• Endosulfan

Synonyms: endosulfan, Benzoepin, Thiodan, Thionex, Chlorthiepin, Insectophene, Rasayansulfan, Devisulphan, Endosulphan, Thiosulfan, Crisulfan, Thionate, Endocel, Endotaf, Thiotox, Beosit, Hildan, Phaser, Sialan, Thifor

Molecular Formula:	C₉H₆Cl₆O₃S	Molecular Weight:	406.925140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RDYMFSUJUZBWLH-UHFFFAOYSA-N

• Ethyltrianol

IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol | CAS Registry Number: 107534-96-3
Synonyms: Tebuconazole, Folicur, Terbuconazole, Terbutrazole, Etiltrianol, Fenetrazole, Elite, Raxil, Preventol A 8, LYNX, Tebuconazole (+-), Tebuconazole [ISO], Tebuconazole (unspecified), BAY-HWG 1608, C16H22ClN3O, Tebuconazole Resp. HWG 1608, HWG 1608, HSDB 7448, AIDS108285, AIDS-108285

Molecular Formula:	C₁₆H₂₂ClN₃O	Molecular Weight:	307.818380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: PXMNMQRDXWABCY-UHFFFAOYSA-N

• Famotidine

IUPAC Name: 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide | CAS Registry Number: 76824-35-6
Synonyms: famotidine, Gastridin, Pepcidine, Quamatel, Famodil, Pepdine, Gaster, Pepdul, Apogastine, Gastrodomina, Gastrosidin, Supertidine, Antodine, Bestidine, Blocacid, Confobos, Digervin, Dispromil, Dispronil, Fagastine

Molecular Formula:	C₈H₁₅N₇O₂S₃	Molecular Weight:	337.445400 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: XUFQPHANEAPEMJ-UHFFFAOYSA-N

• Fenitrothion

IUPAC Name: dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-$l^{5}-phosphane | CAS Registry Number: 122-14-5
Synonyms: Phenitrothion, FENITROTHION, Methylnitrophos, Folithion, Metathion, Nitrophos, Sumithion, Cekutrothion, Fentrothione, Metathionine, Oleosumifene, Metathione, Sumithione, Accothion, Agrothion, Falithion, Fenition, Metation, Novathion, Ovadofos

Molecular Formula:	C₉H₁₂NO₅PS	Molecular Weight:	277.234041 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: ZNOLGFHPUIJIMJ-UHFFFAOYSA-N

• Folpet

IUPAC Name: 2-(trichloromethylsulfanyl)isoindole-1,3-dione | CAS Registry Number: 133-07-3
Synonyms: Orthophaltan, Acryptan, Fungitrol, Phthaltan, Spolacid, Thiophal, Vinicoll, Faltan, Faltex, Folnit, Folpan, Folpel, Ftalan, Fungitrol II, Intercide TMP, Cosan I, Folpel [French], Fungitrol 11, Ortho phaltan 50W, PHALTAN

Molecular Formula:	C₉H₄Cl₃NO₂S	Molecular Weight:	296.557560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HKIOYBQGHSTUDB-UHFFFAOYSA-N

• Food Grade Sodium Tripolyphosphate

IUPAC Name: diphosphono hydrogen phosphate | CAS Registry Number: 7758-29-4
Synonyms: triphosphate, triphospate, tripolyphosphate, Triphosphoric acid, Triphosphorsaeure, (Phosphate)n, Inorganic triphosphate, PPPi, (Phosphate)n+1, (Phosphate)n-1, Triphosphate analogs, acide triphosphorique, catena-triphosphoric acid, P3,i, diphosphono hydrogen phosphate, CID983, Bis(phosphonooxy)phosphinic acid, CHEBI:39949, H5P3O10, AIDS095248

Molecular Formula:	H₅O₁₀P₃	Molecular Weight:	257.954983 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	10

InChIKey: UNXRWKVEANCORM-UHFFFAOYSA-N

• Frusemide

IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid | CAS Registry Number: 54-31-9
Synonyms: furosemide, Lasix, Furanthril, Furosemid, Fursemide, Errolon, Fusid, Fuluvamide, Furanthryl, Macasirool, Furantril, Lowpstron, Aisemide, Beronald, Desdemin, Frusemid, Frusemin, Fursemid, Prefemin, Rosemide

Molecular Formula:	C₁₂H₁₁ClN₂O₅S	Molecular Weight:	330.744140 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: ZZUFCTLCJUWOSV-UHFFFAOYSA-N

• Hexythiazox

IUPAC Name: (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide | CAS Registry Number: 78587-05-0
Synonyms: Savey, Acarflor, Acariflor, Nissorun, Calibre, Matacar, Ordoval, Cesar, Trevi, Zeldox (acaricide), (S,S)-hexythiazox, Hexythiazox [BSI:ISO], PS1079_SUPELCO, 33365_RIEDEL, CHEBI:39328, NA 73, DPX Y5893-9, NCGC00164261-02, LS-151154, (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide

Molecular Formula:	C₁₇H₂₁ClN₂O₂S	Molecular Weight:	352.878840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XGWIJUOSCAQSSV-XHDPSFHLSA-N

• Imidacloprid

IUPAC Name: N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide | CAS Registry Number: 138261-41-3
Synonyms: Confidor, Provado, Admire, Gaucho, Merit, Advantage, Confidor SL, Premise 75, Merit (insecticide), (E)-imidacloprid, (Z)-imidacloprid, IMAZETHAPYR, Confidor 200 SL, Imidacloprid solution, Imidacloprid (old RN), Imidacloprid [ISO], Advantage Flea Adulticide, PS2086_SUPELCO, Bayer Brand of Imidacloprid, CP 1

Molecular Formula:	C₉H₁₀ClN₅O₂	Molecular Weight:	255.661000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: YWTYJOPNNQFBPC-UHFFFAOYSA-N

• INJECTION (CAS: 9004-17-5)

• Levosimendan

IUPAC Name: 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile | CAS Registry Number: 141505-33-1
Synonyms: Simdax, LEVOSIMENDAN, Levosimedan, Simendan, Levosimendan [INN], Simdax (TN), Levosimendan (USAN/INN), CHEBI:50567, (-)-OR-1259, CID3033825, DB00922, LS-120045, TL8000754, D04720, (R)-((4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile, Mesoxalonitrile (-)-(p((R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazone, ((4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile, ((4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono\r\n)propanedinitrile, Mesoxalonitrile (p-((R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-pyridazinyl)phenyl)hydrazone, ({4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazono)propanedintrile

Molecular Formula:	C₁₄H₁₂N₆O	Molecular Weight:	280.284680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: WHXMKTBCFHIYNQ-SECBINFHSA-N

• Malathion

IUPAC Name: diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate | CAS Registry Number: 121-75-5
Synonyms: malathion, Mercaptothion, Carbophos, Carbofos, Karbofos, Maldison, Oleophosphothion, Phosphothion, Chemathion, Ethiolacar, Fosfothion, Fosfotion, Malaspray, Carbetox, Malagran, Malakill, Malaphos, Malathon, Moscarda, Prioderm

Molecular Formula:	C₁₀H₁₉O₆PS₂	Molecular Weight:	330.358021 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: JXSJBGJIGXNWCI-UHFFFAOYSA-N

• Metalaxyl

IUPAC Name: methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate | CAS Registry Number: 57837-19-1
Synonyms: Ridomil, Jiashuangling, Allegiance, Metalaxil, Metanaxin, Metaxanin, Metasyl, Subdue, Apron, METALAXYL, Ridomil Vino, Mefenoxam, Apron FL, Ridomil 2E, Subdue 2E, Subdue 5SP, Apron 2E, Ridomil 72WP, (+-)-Metalaxyl, (R)-Metalaxyl

Molecular Formula:	C₁₅H₂₁NO₄	Molecular Weight:	279.331540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ZQEIXNIJLIKNTD-UHFFFAOYSA-N

• Methidathion

IUPAC Name: 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one | CAS Registry Number: 950-37-8
Synonyms: Suprathion, Supracid, Ultracid, Ultracide, Somonil, Supracide Ulvair, Methidathion 50S, SUPRACIDE, Ultracid 40, Ultracid EC 40, DMTP (insecticide), Metidation [Polish], Caswell No. 378B, Ultracide Ulvair 250, Fisons NC 2964, Geigy 13005, Geigy GS-13005, Ciba-Geigy GS 13005, CCRIS 7085, Methidathion [ANSI:BSI:ISO]

Molecular Formula:	C₆H₁₁N₂O₄PS₃	Molecular Weight:	302.331301 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: MEBQXILRKZHVCX-UHFFFAOYSA-N

• Methomyl

IUPAC Name: methyl N-(methylcarbamoyloxy)ethanimidothioate | CAS Registry Number: 16752-77-5
Synonyms: methomyl, Lannate, Mesomile, Methomex, Nudrin, Lannate L, Lannate LV, Nu-bait ii, Methomyl lannate, Metomil [Italian], Lannate 20, Lanox 90, Methomyl (lannate), Insecticide 1,179, Caswell No. 549C, Dupont 1179, Lanox 216, 20, Lannate, Rcra waste number P066, RCRA waste no. P066

Molecular Formula:	C₅H₁₀N₂O₂S	Molecular Weight:	162.210100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UHXUZOCRWCRNSJ-QPJJXVBHSA-N

• mitiglinide

IUPAC Name: calcium (2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate | CAS Registry Number: 145525-41-3
Synonyms: Mitiglinide, Mitiglinide calcium, Kad-1229, KAD 1229, 2C19H24NO3.Ca, CID5478927, LS-173249, C13326, S21403, 2-Benzyl-3-(hexahydro-2-isoindolinylcarbonyl)propionate, Calcium 2-benzyl-3-(cis-hexahydro-2-isoindolinylcarbonyl)propionate dihydrate, 2H-Isoindole-2-butanoic acid, octahydro-gamma-oxo-alpha-(phenylmethyl)-, calcium salt, (2(S)-cis)-

Molecular Formula:	C₃₈H₄₈CaN₂O₆	Molecular Weight:	668.875520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: PMRVFZXOCRHXFE-FMEJWYFOSA-L

• Molsidomine

IUPAC Name: 1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate | CAS Registry Number: 25717-80-0
Synonyms: molsidomine, Molsidolat, Corvaton, morsydomine, Motazomin, Morial, Molsidomin, Sydnopharm, Korvatone, Prestwick_863, Molsidominum [INN-Latin], Molsidomina [INN-Spanish], Prestwick3_000547, Lopac-M-2901, SIN-10, BSPBio_000593, MLS000028573, MLS001146942, MLS002153869, SPECTRUM1500673

Molecular Formula:	C₉H₁₄N₄O₄	Molecular Weight:	242.231860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: XLFWDASMENKTKL-UHFFFAOYSA-N

• Nateglinide

IUPAC Name: (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid | CAS Registry Number: 105816-04-4
Synonyms: nateglinide, Starlix, Starsis, Fastic, Trazec, Ambap5430, MLS000759500, MLS001424043, SDZ-DJN-608, DJN-608, YM-026, AY-4166, CPD000466372, SAM001246721, SMR000466372, TL8000218, A-4166, N-{[trans-4-(propan-2-yl)cyclohexyl]carbonyl}-D-phenylalanine

Molecular Formula:	C₁₉H₂₇NO₃	Molecular Weight:	317.422580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: OELFLUMRDSZNSF-OFLPRAFFSA-N

• Olopatadine

IUPAC Name: 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid | CAS Registry Number: 113806-05-6
Synonyms: Patanol, Opatanol, OLOPATADINE HYDROCHLORIDE, Olopatadine [INN:BAN], Allelock, UNII-D27V6190PM, AC1NQXZH, KW-4943A, BIDD:GT0285, HMS2089K10, KW 4679, KW-4679, 140462-76-6 (hydrochloride), SBB066095, STK624184, DB00768, LS-172239, TL8000403, FT-0082377, 11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenz(b,e)oxepin-2-acetic acid

Molecular Formula:	C₂₁H₂₃NO₃	Molecular Weight:	337.412220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: JBIMVDZLSHOPLA-LSCVHKIXSA-N

• Oxaliplatin

IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine; oxalate; platinum(2+) | CAS Registry Number: 61825-94-3
Synonyms: oxaliplatin, oxalate, Oxalatoplatin, Oxalatoplatinum, Eloxatin, Eloxatin (TN), platinum(+2) cation, Oxaliplatinum [Latin], Oxaloplatine [French], Oxaliplatino [Spanish], Oxaloplatino [Spanish], Oxaliplatin (JAN/USAN/INN), Oxaliplatin [USAN:INN:BAN], (1R,2R)-cyclohexane-1,2-diamine, DB00526, D01790

Molecular Formula:	C₈H₁₄N₂O₄Pt	Molecular Weight:	397.285760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: ZROHGHOFXNOHSO-BNTLRKBRSA-L

• Pazufloxacin

Synonyms: 127045-41-4, Pazufloxacin [INN], UNII-4CZ1R38NDI, CCRIS 7312, T 3761, T-3761, C16H15FN2O4, NCGC00167534-01, DSSTox_CID_26697, DSSTox_RID_81831, DSSTox_GSID_46697, 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (S)-, (-)-(3S)-10-(1-Aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-10-(1-aminocyclopropyl)-9-fluoro-3-methyl-7-oxo-, (S)-, SMR000466380, CAS-127045-41-4, Pazufloxacine, Pazufloxacino, Pazufloxacinum, PZFX

Molecular Formula:	C₁₆H₁₅FN₂O₄	Molecular Weight:	318.304 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: XAGMUUZPGZWTRP-ZETCQYMHSA-N

• Penconazole

IUPAC Name: 1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole | CAS Registry Number: 66246-88-6
Synonyms: Topaze, Onmex, Penconazol, Topaze C, Topas C, Topas MZ, Penconazole [BSI:ISO], 36189_RIEDEL, EINECS 266-275-6, CGA 71818, BRN 0541488, NCGC00166157-01, LS-155946, 1-(2-(2,4-Dichlorophenyl)pentyl)-1H-1,2,4-triazole, 5-26-01-00149 (Beilstein Handbook Reference), C087058, 1H-1,2,4-Triazole, 1-(2-(2,4-dichlorophenyl)pentyl)-, 1-(2,4-dichloro-beta-propylphenethyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)pentyl]-, 87501-25-5

Molecular Formula:	C₁₃H₁₅Cl₂N₃	Molecular Weight:	284.184300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WKBPZYKAUNRMKP-UHFFFAOYSA-N

• Perfluorobutanesulfonyl Fluoride

IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride | CAS Registry Number: 375-72-4
Synonyms: Perfluorobutanesulfonyl fluoride, 319732_ALDRICH, Perfluoro-1-butanesulfonyl fluoride, 87583_FLUKA, CID67814, EINECS 206-792-6, Nonafluoro-1-butanesulfonyl fluoride, 3S210997, 1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulphonyl fluoride, 1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro-

Molecular Formula:	C₄F₁₀O₂S	Molecular Weight:	302.090632 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	12

InChIKey: LUYQYZLEHLTPBH-UHFFFAOYSA-N

• Perfluorooctane Surfapropyl Betaine

• perfluorooctanesulfonate amine

IUPAC Name: azane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid

Molecular Formula:	C₈H₄F₁₇NO₃S	Molecular Weight:	517.157 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	21

InChIKey: UAWBWGUIUMQJIT-UHFFFAOYSA-N

• Perfluorooctanesulfonyl fluoride

IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride | CAS Registry Number: 307-35-7
Synonyms: HSDB 5561, N-Perfluorooctanesulfonyl fluoride, 319724_ALDRICH, Perfluoro-1-octanesulfonyl fluoride, EINECS 206-200-6, Heptadecafluorooctanesulphonyl fluoride, PERFLUOROOCTYLSULFONYL FLUORIDE, BB_SC-0318, Heptadecafluorooctanesulfonyl fluoride, LS-195243, 1-Octanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride

Molecular Formula:	C₈F₁₈O₂S	Molecular Weight:	502.120658 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	20

InChIKey: BHFJBHMTEDLICO-UHFFFAOYSA-N

• Perfluorotributylamine

IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine | CAS Registry Number: 311-89-7
Synonyms: Fluosol 43, PFTBA, Fluorocarbon FC 43, Tris(nonafluorobutyl)amine, Fluorinert FC 43, Mediflor FC 43, Tri(perfluorobutyl)amine, Tri(nonafluorobutyl)amine, Tris(perfluorobutyl)amine, Fluorinert FC-43, FTBA, HEPTACOSAFLUOROTRIBUTYLAMINE, Tributylamine, heptacosafluoro-, FC 43, FC 47, HSDB 7103, 442747U_SUPELCO, H5262_SIGMA, Perfluorotributylamine (PFTBA), NSC 3501

Molecular Formula:	C₁₂F₂₇N	Molecular Weight:	671.091986 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	28

InChIKey: RVZRBWKZFJCCIB-UHFFFAOYSA-N

• Perfluorotriethylamine

IUPAC Name: 1,1,2,2,2-pentafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)ethanamine | CAS Registry Number: 359-70-6
Synonyms: Pentadecafluorotriethylamine, Tri(perfluoroethyl)amine, Triethylamine, perfluoro-, Tris(pentafluoroethyl)amine, 397156_ALDRICH, EINECS 206-632-5, BRN 1813672, LS-64913, Triethylamine, pentadecafluoro- (6CI,7CI,8CI), 4-02-00-00471 (Beilstein Handbook Reference), Ethanamine, 1,1,2,2,2-pentafluoro-N,N-bis(pentafluoroethyl)-, N,N-Bis(pentafluoroethyl)-1,1,2,2,2-pentafluoroethanamine, Ethanamine, N,N-bis(pentafluoroethyl)-1,1,2,2,2-pentalfluoro-, Ethanamine, 1,1,2,2,2-pentafluoro-N,N-bis(pentafluoroethyl)- (9CI)

Molecular Formula:	C₆F₁₅N	Molecular Weight:	371.046948 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	16

InChIKey: CBEFDCMSEZEGCX-UHFFFAOYSA-N

• Perfluorotripropylamine (CAS: 339-83-0)

• Pharmaceutical Intermediates

• Picloram

IUPAC Name: 4-amino-3,5,6-trichloropyridine-2-carboxylic acid | CAS Registry Number: 1918-02-1
Synonyms: PICLORAM, Borolin, Tordon, Amdon, Grazon, Amdon grazon, Access, K-Pin, Tordon 10K, Tordon 22K, Tordon 101 mixture, Grazon PC, ATCP, Tordon 2K, Tordon(R), Grazon P+D, Caswell No. 039, Grazon 10K, Tordon 2 K, Piclorame [ISO-French]

Molecular Formula:	C₆H₃Cl₃N₂O₂	Molecular Weight:	241.459220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: NQQVFXUMIDALNH-UHFFFAOYSA-N

• Potassium Perfluorobutanesulfonate

IUPAC Name: potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate | CAS Registry Number: 29420-49-3
Synonyms: EINECS 249-616-3, 3S102880, Potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate, 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid, potassium salt, 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt

Molecular Formula:	C₄F₉KO₃S	Molecular Weight:	338.189929 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	12

InChIKey: LVTHXRLARFLXNR-UHFFFAOYSA-M

• potassium perfluorooctanesulfonate

IUPAC Name: potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate | CAS Registry Number: 2795-39-3
Synonyms: Potassium PFOS, Fluorad FC 95, Floral FC 95, PFOS, Perfluorooctane sulfonate, Potassium perfluorooctanesulfonate, FC 95, 77282_FLUKA, EINECS 220-527-1, NSC 18405, AI3-50950, Potassium heptadecafluorooctane-1-sulfonate, Perfluorooctanesulfonic acid, potassium salt, Potassium heptadecafluorooctane-1-sulphonate, LS-97934, Perfluorooctanesulfonic acid potassium salt, Potassium heptadecafluoro-1-octanesulfonate, Heptadecafluorooctanesulfonic acid, potassium salt, Heptadecafluorooctanesulfonic acid potassium salt, 1-Octanesulfonic acid, heptadecafluoro-, potassium salt

Molecular Formula:	C₈F₁₇KO₃S	Molecular Weight:	538.219954 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	20

InChIKey: WFRUBUQWJYMMRQ-UHFFFAOYSA-M

• Potassium Perflurohexanesulfonate

IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate | CAS Registry Number: 108427-53-8
Synonyms: perfluorohexanesulfonate, DTXSID80873012, NCGC00163913-03, Tridecafluorohexane-1-sulfonic acid anion

Molecular Formula:	C₆F₁₃O₃S-	Molecular Weight:	399.102 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	16

InChIKey: QZHDEAJFRJCDMF-UHFFFAOYSA-M

• Propiconazole

IUPAC Name: 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | CAS Registry Number: 60207-90-1
Synonyms: PROPICONAZOLE, Tilt, Banner, Desmel, Orbit, Radar, Propyconazol, Caswell No. 323EE, Propiconazole solution, Propiconazole [BSI:ISO], PS1075_SUPELCO, Oprea1_008846, Oprea1_352194, HSDB 6731, MLS000525333, C15H17Cl2N3O2, 45642_RIEDEL, 45899_RIEDEL, CGD 92710F, EINECS 262-104-4

Molecular Formula:	C₁₅H₁₇Cl₂N₃O₂	Molecular Weight:	342.220380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: STJLVHWMYQXCPB-UHFFFAOYSA-N