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• a-Ketoglutaric Acid

IUPAC Name: 2-oxopentanedioic acid | CAS Registry Number: 328-50-7
Synonyms: 2-Oxopentanedioic acid, alpha-ketoglutaric acid, 2-oxoglutaric acid, 2-ketoglutaric acid, 2-oxoglutarate, 2-ketoglutarate, Oxoglutaric acid, alpha-ketoglutarate, ketoglutarate, Alphaketoglutaric acid, 2-oxopentanedionate, alpha-oxoglutarate, alpha-Oxoglutaric acid, alpha Ketoglutarate, Glutaric acid, alpha keto, 2-Oxo-Glutaric Acid, nchembio816-comp3, nchembio856-comp1, Glutaric acid, 2-oxo-, nchembio.145-comp9

Molecular Formula:	C₅H₆O₅	Molecular Weight:	146.098140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: KPGXRSRHYNQIFN-UHFFFAOYSA-N

• Acetamide

IUPAC Name: acetamide | CAS Registry Number: 60-35-5
Synonyms: acetamide, Ethanamide, Acetic acid amide, Acetimidic acid, Methanecarboxamide, Ethanimidic acid, acetamid, Essigsaeureamid, Azetamid, Ethanamid, Amide C2, Caswell No. 003H, CCRIS 2, Acetimidic acid (VAN), CH3CONH2, Lopac-A-0500, acetamide, monosodium salt, Amid kyseliny octove [Czech], HSDB 4006, WLN: ZV1

Molecular Formula:	C₂H₅NO	Molecular Weight:	59.067200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: DLFVBJFMPXGRIB-UHFFFAOYSA-N

• Acetaminophen

IUPAC Name: N-(4-hydroxyphenyl)acetamide | CAS Registry Number: 103-90-2
Synonyms: acetaminophen, Paracetamol, Tylenol, Datril, Acetaminofen, Algotropyl, Naprinol, 4-Acetamidophenol, Lonarid, Panadol, Acamol, Anelix, Multin, APAP, p-Acetamidophenol, p-Acetaminophenol, Paracetamolo, Abensanil, Acetagesic, Acetalgin

Molecular Formula:	C₈H₉NO₂	Molecular Weight:	151.162560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N

• Acetoxyacetyl chloride

IUPAC Name: (2-chloro-2-oxoethyl) acetate | CAS Registry Number: 13831-31-7
Synonyms: ACETOXYACETYL CHLORIDE, 2-Chloro-2-oxoethyl acetate, 302368_ALDRICH, EINECS 237-542-4, ZINC02019437

Molecular Formula:	C₄H₅ClO₃	Molecular Weight:	136.533700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: HZDNNJABYXNPPV-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

• Androstan-17-ol,2,3:16,17-diepoxy-,acetate,(2,3,5,16,17)-(9CI)

Synonyms: AND015, Androstan-17-ol,2,3:16,17- diepoxy-, acetate, (2|A,3|A,5|A, 16|A,17|A)-

Molecular Formula:	C₂₁H₃₀O₄	Molecular Weight:	346.460500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: AEFVYXKODUCZPV-SGEOVLRZSA-N

• ATORVASTATIN,95+%(HPLC)

IUPAC Name: (3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid | CAS Registry Number: 110862-48-1
Synonyms: atorvastatin, Lipitor, Sotis, Atorvastatin, Calcium salt, C33H35FN2O5, CID62976, 134523-03-8 (calcium salt), CI 981, CI-981, LS-172139, (1betaR,deltaR)-2-(p-Fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoic acid, 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (betaR,deltaR)-rel-, 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (R*,R*)-

Molecular Formula:	C₃₃H₃₅FN₂O₅	Molecular Weight:	558.639803 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: XUKUURHRXDUEBC-SVBPBHIXSA-N

• Azelastine hydrochloride

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 (CAS: 83905-01-5)

• Benzeneacetonitrile, 4-[2,3-dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1H-imidazo[4,5-c]quinolin-1-yl]-a,a-dimethyl- (CAS: 915019-65-7)

• Benzimidazole-5,6-dicarboxylic acid

IUPAC Name: 1H-benzimidazole-5,6-dicarboxylic acid | CAS Registry Number: 10351-75-4
Synonyms: benzimidazole-5,6-dicarboxylic acid, 1H-Benzoimidazole-5,6-dicarboxylic, ST094922, 1H-benzoimidazole-5,6-dicarboxylic Acid, ACMC-1BSYC, SureCN687133, AC1OE05D, SureCN1389377, CTK0H4442, MolPort-005-936-642, SBB071464, AKOS015914570, AG-D-14457, MCULE-2477867485, 1H-benzimidazole-5,6-dicarboxylic acid, benzo[d]imidazole-5,6-dicarboxylic acid, AC-17953, AK115971, I784, AB1004641

Molecular Formula:	C₉H₆N₂O₄	Molecular Weight:	206.154940 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: PIPQOFRJDBZPFR-UHFFFAOYSA-N

• Bimatoprost

IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide | CAS Registry Number: 155206-00-1
Synonyms: Lumigan, Latisse, Lumigan (TN), Bimatoprost (USAN/INN), Bimataprost [USAN:INN:BAN], AGN 192024, CHEBI:51230, AGN-192024, CID5311027, DB00905, NCGC00181745-01, LS-181817, D02724, (Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-5-heptenamide, 5-Heptenamide, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (5Z)-, 5-Heptenamide, 7-(3,5-dihydroxy-2-(3-hydrdoxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (1R-(1alpha(Z),2beta(1E,3S*),3alpha,5alpha))-, (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl}-N-ethylhept-5-enamide, (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide, 15M, 267244-98-4

Molecular Formula:	C₂₅H₃₇NO₄	Molecular Weight:	415.565580 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: AQOKCDNYWBIDND-FTOWTWDKSA-N

• Borneol

IUPAC Name: 1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol | CAS Registry Number: 507-70-0
Synonyms: d-Borneol, Isoborneol, Sumatra camphor, Borneocamphor, endo-2-Bornanol, Borneo camphor, Bornyl alcohol, (+)-Borneol, L-Borneol, Endo-2-camphanol, (-)-Borneol, Endo-2-hydroxycamphane, (1R,2S,4R)-Borneol, BORNEOL, (L), CCRIS 6550, 1,7,7-trimethylnorbornan-2-ol, CHEBI:28093, EINECS 207-352-6, (1R,2S,4R)-(+)-Borneol, (1S,2R,4S)-(-)-Borneol

Molecular Formula:	C₁₀H₁₈O	Molecular Weight:	154.249320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: DTGKSKDOIYIVQL-UHFFFAOYSA-N

• Brompheniramine Maleate (CAS: 980-71-2)

• Calcium Acetate

IUPAC Name: calcium diacetate | CAS Registry Number: 62-54-4
Synonyms: Calcium acetate, Calcium diacetate, Brown acetate, Vinegar salts, Gray acetate, Lime acetate, PhosLo, Lime pyrolignite, Teltozan, Sorbo-calcion, Acetate of lime, Procalamine, Grey acetate, Gray Acetate of Lime, Acetic acid, calcium salt, Brown Acetate of Lime, Calcium di(acetate), Pyrolignite of lime, Phoslo (TN), Calcium acetate hydrate

Molecular Formula:	C₄H₆CaO₄	Molecular Weight:	158.166040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: VSGNNIFQASZAOI-UHFFFAOYSA-L

• Carbidopa

IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid | CAS Registry Number: 28860-95-9
Synonyms: carbidopa, N-Aminomethyldopa, Carbidopa anhydrous, alpha-Methyldopahydrazine, Carbidopum [INN-Latin], Carbidopa Monohydrate, S-(-)-Carbidopa, Carbidopa (anhydrous), Hadrazino-alpha-methyldopa, Tocris-0455, L-alpha-Methyldopahydrazine, Carbidopa, (S)-Isomer, S(-)-CARBIDOPA, CCRIS 5093, C126_SIGMA, Lopac0_000382, MLS000069628, C1335_SIGMA, S-(−)-Carbidopa, EINECS 249-271-9

Molecular Formula:	C₁₀H₁₄N₂O₄	Molecular Weight:	226.229160 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: TZFNLOMSOLWIDK-JTQLQIEISA-N

• Cediranib

IUPAC Name: 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline | CAS Registry Number: 288383-20-0
Synonyms: Recentin, AZD2171, AZD-2171, AZD 2171, S1017_Selleck, Kinome_3318, Cediranib (USAN/INN), UNII-NQU9IPY4K9, CHEMBL491473, AZD2171, Recentin, Cediranib, 4-(4-Fluoro-2-methylindol-5-yloxy)-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline, AKOS005145767, NSC-732208, ZD-2171, M6294, D08881, 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline, 790713-41-6, Quinazoline, 4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxy-7-(3-(1-pyrrolidinyl)propoxy)-, Cadiranib

Molecular Formula:	C₂₅H₂₇FN₄O₃	Molecular Weight:	450.505283 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: XXJWYDDUDKYVKI-UHFFFAOYSA-N

• Cetyl Alcohol

IUPAC Name: hexadecan-1-ol | CAS Registry Number: 36653-82-4
Synonyms: 1-Hexadecanol, cetyl alcohol, Palmityl alcohol, Cetanol, Hexadecan-1-ol, n-Cetyl alcohol, Cetaffine, Cetylol, Cetal, Ethal, Ethol, Cetylic alcohol, n-1-Hexadecanol, HEXADECANOL, N-Hexadecanol, Loxanwachs SK, Crodacol C, Hyfatol, Loxanol K extra, Hexadecyl alcohol

Molecular Formula:	C₁₆H₃₄O	Molecular Weight:	242.440560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BXWNKGSJHAJOGX-UHFFFAOYSA-N

• Cevimeline hydrochloride

IUPAC Name: (2R,5R)-2-methylspiro[1,3-oxathiolane-5,8'-1-azabicyclo[2.2.2]octane] hydrate dihydrochloride | CAS Registry Number: 153504-70-2
Synonyms: Cevimeline, Evoxac, Saligren, Cevimeline.HCl, Saligren (TN), Evoxac (TN), Cevimeline HCl 1/2H2O, UNII-P81Q6V85NP, cevimeline hydrochloride hydrate, Cevimeline hydrochloride hemihydrate, Cevimeline hydrochloride (USAN), Cevimeline hydrochloride [USAN], CID83927, Cevimeline hydrochloride hydrate (JAN), LS-145782, D00661, SND 5008, AF-102B, FKS-508, cis-2-Methylspiro(1,3-oxathiolane-5,3')quinuclidine hydrochloride hydrate (2:2:1), Spiro(1-azabicyclo(2.2.2)octane-3,5'-(1,3)oxathiolane), 2'-methyl-, hydrochloride, hydrate (2:1), cis-, (+-)-cis-2-Methylspiro(1,3-oxathiolane-5,3'-quinuclidine) hydrochloride, hemihydrate

Molecular Formula:	C₂₀H₃₈Cl₂N₂O₃S₂	Molecular Weight:	489.563320 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: ZSTLCHCDLIUXJE-GMLJRNIPSA-N

• Chlorpheniramine Maleate

IUPAC Name: [3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate | CAS Registry Number: 113-92-8
Synonyms: Chlorpheniramine maleate, NCGC00091939-01, 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-aminium (2Z)-3-carboxyprop-2-enoate

Molecular Formula:	C₂₀H₂₃ClN₂O₄	Molecular Weight:	390.860620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: DBAKFASWICGISY-BTJKTKAUSA-N

• Ciprofloxacin (CAS: 85721-33-1)

• Clopidogrel Hydrobromide

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

• Cycloastragenol (CAS: 84605-18-5)

• Cyclopamine

IUPAC Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol | CAS Registry Number: 4449-51-8
Synonyms: CYCLOPAMINE, 11-Deoxojervine, nchembio753-comp1, nchembio.142-comp3, Jervine, 11-deoxo-, BSPBio_001032, C4116_SIGMA, CHEBI:522489, CID442972, NSC734950, NCGC00163474-03, C10798, (3beta,22S,23R)-17,23-epoxyveratraman-3-ol, BRD-K58938839-001-03-8, Veratraman-3-ol, 17,23-epoxy-, (3-beta,23-beta)-, Spiro(9H-benzo(a)fluorene-9,2'(3'H)-furo(3,2-b)pyridin)-3-o l, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octa deca hydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-, Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)- (9CI)

Molecular Formula:	C₂₇H₄₁NO₂	Molecular Weight:	411.619940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: QASFUMOKHFSJGL-LAFRSMQTSA-N

• Desmopressin

IUPAC Name: N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[4-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-13-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-10-(phenylmethyl)-18,19-dithia-2,5,8,11,14-pentazacycloicosane-1-carbonyl]pyrrolidine-2-carboxamide | CAS Registry Number: 16679-58-6
Synonyms: Adiuretin, DESMOPRESSIN, Minirin, Adiuretin SD, DDAVP, Desmopressin acetate, Desmopressin (INN), Desmopresina [INN-Spanish], Desmopressine [INN-French], Desmopressinum [INN-Latin], Desmopressin [INN:BAN], Deamino Arginine Vasopressin, Vasopressin, Deamino Arginine, 1-Deamino-8-D-arginine vasopressin, 1-Desamino-8-D-arginine vasopressin, C4H10.CH2O, EINECS 240-726-7, 1-Desamino-8-arginine Vasopressin, Desamino-8-D-arginine vasopressin, l-, Desmopressin Monoacetate, Trihydrate

Molecular Formula:	C₄₆H₆₄N₁₄O₁₂S₂	Molecular Weight:	1069.216960 [g/mol]
H-Bond Donor:	13	H-Bond Acceptor:	15

InChIKey: NFLWUMRGJYTJIN-UHFFFAOYSA-N

• Dexrazoxane

IUPAC Name: 4-[(2S)-1-(3,5-dioxopiperazin-1-yl)propan-2-yl]piperazine-2,6-dione | CAS Registry Number: 24584-09-6
Synonyms: Zinecard, Dextrorazoxane, Cardioxane, Desrazoxane, (+)-dexrazoxane, Zinecard (TN), Razoxane (+)-form, Dexrazoxanum [INN-Latin], Dexrazoxano [INN-Spanish], Razoxane, (S)-Isomer, Razoxanum [INN-Latin], Razoxana [INN-Spanish], ICRF-187, Dexrazoxane (USAN/INN), ADR 529, Dexrazoxane [USAN:BAN:INN], Soluble ICRF (L-isosomer), HSDB 7319, ICRF 187, CHEBI:50223

Molecular Formula:	C₁₁H₁₆N₄O₄	Molecular Weight:	268.269140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: BMKDZUISNHGIBY-ZETCQYMHSA-N

• DIAMINO-6-PTERIDINYLMETHYL-N-METHYLAMINOBENZOIC ACID HCL

IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid | CAS Registry Number: 19741-14-1
Synonyms: Deoxyaminopteroic acid, 2,4-Apa, MolPort-004-955-331, NSC131463, AIDS006954, DC326, AIDS-006954, CID72441, N-10-Methyl-4-deoxy-4-aminopteroate, NSC 131463, 2,4-Diamino-N(10)-methylpteroic acid, ST057271, 4-Amino-4-deoxy-N-10-methylpteroic acid, 4-Deoxy-4-amino-N(10)-methylpteroic acid, SD-096947, TX-010209, 4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoic acid, 4-[N-(2,4-Diamoni-6-Pteridinylmethyl)-N-Methylamino Benzoic acid, Benzoic acid, 4-[(2,4-diamino-6-pteridinylmethyl)methylamino]-, Benzoic acid, p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-

Molecular Formula:	C₁₅H₁₅N₇O₂	Molecular Weight:	325.325300 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: LWCXZSDKANNOAR-UHFFFAOYSA-N

• Doripenem Monohydrate; Doripenem

IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate | CAS Registry Number: 364622-82-2
Synonyms: Doripenem hydrate, Doripenem hydrate (JAN), CID636377, D01836

Molecular Formula:	C₁₅H₂₆N₄O₇S₂	Molecular Weight:	438.519540 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	10

InChIKey: NTUBEBXBDGKBTJ-WGLOMNHJSA-N

• Esomeprazole

IUPAC Name: 6-methoxy-2-[(R)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole | CAS Registry Number: 119141-88-7
Synonyms: Nexiam, (S)-Omeprazole, esomeprazol, omeprazole, Esomperazole, (-)-Omeprazole, (S)-(-)-Omeprazole, Esomeprazole [INN:BAN], CHEBI:50275, ZINC04693575, LS-185188, 1H-Benzimidazole, 5-methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2- pyridinyl)methyl)sulfinyl)-, 5-Methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl)benzimidazole, 5-methoxy-2-{(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole, 193469-77-1, 1H-benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-, 326602-80-6, 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1-methyl-1H-benzimidazole, InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20

Molecular Formula:	C₁₇H₁₉N₃O₃S	Molecular Weight:	345.416060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: SUBDBMMJDZJVOS-XMMPIXPASA-N

• Fosinopril Sodium (CAS: 88889-14-9)

• 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

• Hexamethylphosphoramide

IUPAC Name: N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine | CAS Registry Number: 680-31-9
Synonyms: Hempa, Hexametapol, HEXAMETHYLPHOSPHORAMIDE, HMPA, HMPT, HMPTA, Hexamethylphosphoric triamide, Eastman Inhibitor HPT, Hexamethylphosphotriamide, Hexamethylphosphorotriamide, Phosphoric hexamethyltriamide, Hexamethyl phosphoramide, Phosphoric tris(dimethylamide), Phosphoryl hexamethyltriamide, Hexamethylphosphoramid, Hexamethylphosphoric acid triamide, Phosphoric triamide, hexamethyl-, Hexamethylorthophosphoric triamide, Phosphoric acid hexamethyltriamide, Tris(dimethylamino)phosphine oxide

Molecular Formula:	C₆H₁₈N₃OP	Molecular Weight:	179.200381 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: GNOIPBMMFNIUFM-UHFFFAOYSA-N

• Irinotecan HCl

Synonyms: Camptosar, Campto, Campto (TN), Irinotecan hydrochloride, CPT 11, CPT-11, Irinotecan hydrochloride hydrate, Irinotecan hydrochloride (USAN), Irinotecan hydrochloride [USAN:JAN], C35H41N3O5.3H2O.HCl, Irinotecan hydrochloride hydrate (JAN), IRINOTECAN HYDROCHLORIDE Trihydrate, LS-44590, D01061, (+)-7-Ethyl-10-hydroxycamptothecine 10-(1,4'-bipiperidine)-1'-carboxylate, monohydrochloride, trihydrate, (1,4'-Bipiperidine)-1'-carboxylic acid, 4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride, trihydrate, (S)-, (1,4'-Bipiperidine)-1'-carboxylic acid, 4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride,trihydrate, (S)-

Molecular Formula:	C₃₃H₄₅ClN₄O₉	Molecular Weight:	677.184800 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: KLEAIHJJLUAXIQ-JDRGBKBRSA-N

• L(-)-Tartaric Acid (CAS: 87-69-4)

• Lamivudine

IUPAC Name: 4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one | CAS Registry Number: 134678-17-4
Synonyms: lamivudine, lamavudine, AZT + 3TC combination, (+)-SddC, MLS001055352, AIDS005244, AIDS-005244, CID73339, ZINC00015629, (+)-3TC, (+)-2',3'-Dideoxy-3'-thiacytidine, (+)-BCH 189, (+)-BCH-189, NCGC00090679-01, SMR000673568, (+)-(2S,5R)-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine, 134680-32-3, 4-Amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone, (2S-cis)-4-Amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone, 2(1H)-Pyrimidinone, 4-amino-1-((2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-

Molecular Formula:	C₈H₁₁N₃O₃S	Molecular Weight:	229.256240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JTEGQNOMFQHVDC-RQJHMYQMSA-N

• LAURYL LACTATE

IUPAC Name: dodecyl 2-hydroxypropanoate | CAS Registry Number: 6283-92-7
Synonyms: Cyclochem LVL, Dodecyl lactate, Ceraphyl 31, Crodamol LL, Eutanol G, Lactic acid, dodecyl ester, Dodecyl 2-hydroxypropanoate, NSC7752, CID22692, NSC 7752, EINECS 228-504-8, 2-Hydroxypropanoic acid, dodecyl ester, Propanoic acid, 2-hydroxy-, dodecyl ester, 129086-71-1, 143894-91-1

Molecular Formula:	C₁₅H₃₀O₃	Molecular Weight:	258.396900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QQQMUBLXDAFBRH-UHFFFAOYSA-N

• Levofloxacin

Synonyms: LEVOFLOXACIN, Levaquin, Iquix, Elequine, Cravit, Quixin, L-Ofloxacin, R-Ofloxacin, Floxacin, Oftaquix, Tavanic, d-Levofloxacin, (S)-Ofloxacin, (-)-Ofloxacin, Ofloxacin S-(-)-form, (R)-isomer, S-(-)-Ofloxacin, (S)-(-)-Ofloxacin, Ambap1065, Spectrum_001719

Molecular Formula:	C₁₈H₂₀FN₃O₄	Molecular Weight:	361.367503 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: GSDSWSVVBLHKDQ-JTQLQIEISA-N

• Levofloxacin Carboxylic Acid

Synonyms: Levofloxacin Q-Acid, Levofloxacin carboxylic acid, (S)-9,10-Difluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, AC1LELV0, SureCN2333806, UNII-08GT8FY84E, Levofloxacin q-acid, (-)-, Levofloxacin related compound B, 570877_ALDRICH, CTK0H4797, MolPort-003-937-105, 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-, ANW-58925, AKOS016002127, Levofloxacin related compound B [USP], AC-7592, AG-D-07064, AK-56895, Levofloxacin related compound B RS [USP], FT-0642442

Molecular Formula:	C₁₃H₉F₂NO₄	Molecular Weight:	281.211666 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: NVKWWNNJFKZNJO-YFKPBYRVSA-N

• Memantine Hydrochloride

IUPAC Name: 3,5-dimethyladamantan-1-amine hydrochloride | CAS Registry Number: 41100-52-1
Synonyms: Namenda, Akatinol, Axura, Ebixia, Ebixza, Ebixa, MEMANTINE HYDROCHLORIDE, Namenda (TN), MLS001332605, MLS001332606, M9292_SIGMA, SPECTRUM1501121, Memantine hydrochloride [USAN], SUN Y7017, SUN-Y7017, NMI-131, 3,5-Dimethylamantadine hydrochloride, EINECS 255-219-6, Memantine hydrochloride (JAN/USAN), NSC102290

Molecular Formula:	C₁₂H₂₂ClN	Molecular Weight:	215.762780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: LDDHMLJTFXJGPI-UHFFFAOYSA-N

• Mesna

IUPAC Name: sodium 2-sulfanylethanesulfonate | CAS Registry Number: 19767-45-4
Synonyms: mesna, Uromitexan, Mesnex, Mistabronco, Mistabron, Mucofluid, Mitexan, Mesnum, coenzyme M, Ifex/Mesnex Kit, Uromitexan (TN), Mesnum [INN-Latin], Mesnex (TN), Prestwick_1005, Ifosfamide/Mesna Kit, Mesna [USAN:BAN:INN], Spectrum2_000752, Spectrum3_001483, Spectrum4_000041, Spectrum5_001174

Molecular Formula:	C₂H₅NaO₃S₂	Molecular Weight:	164.179070 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XOGTZOOQQBDUSI-UHFFFAOYSA-M

• Methyl 2-amino-5-bromobenzoate

IUPAC Name: methyl 2-amino-5-bromobenzoate | CAS Registry Number: 52727-57-8
Synonyms: 528811_ALDRICH, Methyl 5-bromo-2-aminobenzoate, ZINC00156417, CID736224, ST5307512, TL8003469

Molecular Formula:	C₈H₈BrNO₂	Molecular Weight:	230.058620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QVNYNHCNNGKULA-UHFFFAOYSA-N

• Methyl 4-Oxobutyrate

IUPAC Name: methyl 4-oxobutanoate | CAS Registry Number: 13865-19-5
Synonyms: Methyl 4-oxobutyrate, Methyl 4-oxobutanoate, 589098_ALDRICH, Succinaldehydic acid, methyl ester, CID83779, EINECS 237-611-9, ZINC02572126

Molecular Formula:	C₅H₈O₃	Molecular Weight:	116.115220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: DLZVZNAPRCRXEG-UHFFFAOYSA-N

• Methyl 5-Bromo-2-Iodobenzoate

IUPAC Name: methyl 5-bromo-2-iodobenzoate | CAS Registry Number: 181765-86-6
Synonyms: Methyl 5-bromo-2-iodobenzoate, AG-E-31669, ACMC-1BY3E, SureCN154632, Methyl5-bromo-2-iodobenzoate, KSC537S7F, 652601_ALDRICH, Methyl 5-bromo-2-iodobenzoate,, CTK4D7972, MolPort-001-760-513, WT311, ACT09611, ANW-23072, ZINC02516934, AKOS015834747, AS01244, LS10771, OR15005, 5-Bromo-2-iodobenzoicacid methyl ester;, 5-Bromo-2-iodo-benzoic acid methyl ester

Molecular Formula:	C₈H₆BrIO₂	Molecular Weight:	340.940510 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: CJRHLSZJEFJDLA-UHFFFAOYSA-N

• Miglitol

IUPAC Name: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol | CAS Registry Number: 72432-03-2
Synonyms: MIGLITOL, Glyset, Diastabol, Plumarol, Seibule, Glyset (TN), Bay-m-1099, Miglitol (JAN/USAN/INN), MLS000759514, MLS001424128, SK-983, DB00491, CPD000466381, SAM001246745, SMR000466381, C07708, D00625, (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

Molecular Formula:	C₈H₁₇NO₅	Molecular Weight:	207.224280 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: IBAQFPQHRJAVAV-ULAWRXDQSA-N

• Minumicrolin (CAS: 88546-96-7)

• 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

• Monocrotaline

Synonyms: monocrotaline, Monocrotalin, Crotaline, Testosterone oenanthate, Prestwick_338, Pyrrolizidine alkaloid, Spectrum_001224, Prestwick0_000603, Prestwick1_000603, Prestwick2_000603, Prestwick3_000603, Spectrum2_000906, Spectrum3_000947, Spectrum4_001057, Spectrum5_001233, CCRIS 416, BSPBio_000506, KBioGR_001354, KBioSS_001704, HSDB 3513

Molecular Formula:	C₁₆H₂₃NO₆	Molecular Weight:	325.356920 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: QVCMHGGNRFRMAD-XFGHUUIASA-N

• Murraxocin (CAS: 88478-44-8)

• N-[2-[p-Bromocinnamylamino]ethyl]-5-Isoquinolinesulfonmide

IUPAC Name: N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide | CAS Registry Number: 127243-85-0
Synonyms: 1ydt, h-89, BiomolKI_000035, BiomolKI2_000043, C20H20BrN3O2S, Lopac0_000140, BSPBio_001107, H 89, CHEBI:47495, CHEBI:269457, AIDS108022, AIDS-108022, CID449241, H 87, H-87, IDI1_002139, NCGC00162073-01, NCGC00162073-02, NCGC00162073-03, NCGC00162073-04

Molecular Formula:	C₂₀H₂₀BrN₃O₂S	Molecular Weight:	446.360700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: ZKZXNDJNWUTGDK-NSCUHMNNSA-N

• Nodakenin

IUPAC Name: (2R)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one | CAS Registry Number: 495-31-8
Synonyms: (+)-Marmesinin, MLS000563463, MEGxp0_001251, CHEBI:546611, MolPort-000-881-053, AIDS071124, Nodakenetin, beta-D-glucopyranoside, AIDS-071124, CID73191, AKJ-212-74, SMR000232306, C09279, 7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-, (2R)-, 7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(.beta.-D-glucopyranosyloxy)-1- methylethyl]-2,3-dihydro-, (2R)

Molecular Formula:	C₂₀H₂₄O₉	Molecular Weight:	408.399160 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: HXCGUCZXPFBNRD-DNLMCPORSA-N