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• Adefovir Dipivoxil

IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate | CAS Registry Number: 142340-99-6
Synonyms: Hepsera, Preveon, Adefovir pivoxil, ADEFOVIR DIPIVOXIL, Adefovirdipivoxl, YouHeDing, adefovir depivoxil, Bis(pom)PMEA, Hepsera (TN), Piv2PMEA, ADEFOVIR, bis-POM PMEA, PMEA, Bis(POM)-PMEA, Ambap2538, Adefovir pivoxil (JAN), Adefovir dipivoxil (USAN), C20H32N5O8P, GS 840, GS-840

Molecular Formula:	C₂₀H₃₂N₅O₈P	Molecular Weight:	501.470541 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	13

InChIKey: WOZSCQDILHKSGG-UHFFFAOYSA-N

• Aminophylline

IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione; 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine | CAS Registry Number: 317-34-0
Synonyms: aminophylline, Aminophyllin, Somophyllin, Theophyllaminum, Cardiofilina, Cardophyllin, Ethophylline, Metaphylline, Methophylline, Peterphyllin, Phyllocontin, Syntophyllin, Theophyldine, Theophyllamine, Variaphylline, Aminocardol, Ammophyllin, Cardophylin, Diaphilline, Diaphylline

Molecular Formula:	C₁₆H₂₄N₁₀O₄	Molecular Weight:	420.426360 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: FQPFAHBPWDRTLU-UHFFFAOYSA-N

• Aminopyrine

IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one

Molecular Formula:	C₁₉H₂₅N₃O₇	Molecular Weight:	407.417700 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: ZPBURGJOLTWBJU-MGMRMFRLSA-N

• Amisulpride

IUPAC Name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide | CAS Registry Number: 71675-85-9
Synonyms: amisulpride, Solian, Deniban, Aminosultopride, Amisulpiride, Socian, Amisulpride [INN], Deniban (TN), Amisulpride (INN), Solian (TN), Amisulpridum [INN-Latin], Amisulprida [INN-Spanish], MLS000758258, MLS000759450, MLS001424039, A2729_SIGMA, DAN 2163, C17H27N3O4S, EINECS 275-831-7, CID2159

Molecular Formula:	C₁₇H₂₇N₃O₄S	Molecular Weight:	369.478980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: NTJOBXMMWNYJFB-UHFFFAOYSA-N

• Amoxycillin

IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 26787-78-0
Synonyms: amoxicillin, D-Amoxicillin, Amopenixin, Delacillin, Histocillin, Amoxiden, Amoxivet, Anemolin, Bristamox, Clamoxyl, Flemoxin, Hiconcil, Imacillin, Unicillin, Vetramox, Amoclen, Amoxicillin anhydrous, Aspenil, Cemoxin, Efpenix

Molecular Formula:	C₁₆H₁₉N₃O₅S	Molecular Weight:	365.404160 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: LSQZJLSUYDQPKJ-NJBDSQKTSA-N

• Ampicillin

IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 69-53-4
Synonyms: ampicillin, Omnipen, Ampicillin acid, Tokiocillin, Principen, Synpenin, Amcill, D-Ampicillin, Bonapicillin, Racenacillin, Totalciclina, Adobacillin, Ampicilline, Amplacilina, Amplipenyl, Campicillin, Copharcilin, Divercillin, Doktacillin, Duphacillin

Molecular Formula:	C₁₆H₁₉N₃O₄S	Molecular Weight:	349.404760 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: AVKUERGKIZMTKX-NJBDSQKTSA-N

• Analgin

IUPAC Name: sodium [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate | CAS Registry Number: 68-89-3
Synonyms: dipyrone, Metamizolum, Methampyrone, Analginum, Metamizol, Metamizole, Analgine, Metamizolnatrium, sulpyrine, Novaminsulfonum, Methylmelubrin, Neomelurbrin, Novamidazophen, Novaminsulfon, Novaminsulfone, Algocalmin, Algopyrine, Farmolisina, Nevralgina, Novalgetol

Molecular Formula:	C₁₃H₁₆N₃NaO₄S	Molecular Weight:	333.338610 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: DJGAAPFSPWAYTJ-UHFFFAOYSA-M

• Antipyrine

IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one | CAS Registry Number: 60-80-0
Synonyms: antipyrine, Phenazone, Anodynin, Analgesine, Anodynine, Antipirin, Antipyrin, Phenozone, Fenazone, Phenazon, Azophen, Antipyrinum, Apirelina, Azophenum, Phenazonum, Phenylone, Pyrazophyl, Auralgan, Azophene, Methozin

Molecular Formula:	C₁₁H₁₂N₂O	Molecular Weight:	188.225780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VEQOALNAAJBPNY-UHFFFAOYSA-N

• Aspirin

IUPAC Name: 2-acetyloxybenzoic acid | CAS Registry Number: 50-78-2
Synonyms: aspirin, Acylpyrin, Colfarit, Ecotrin, Acetylsalicylate, Enterosarein, Acenterine, Polopiryna, Micristin, Acetosal, Easprin, ACETYLSALICYLIC ACID, Acetosalic acid, Enterosarine, Acetophen, Acetosalin, Acetylsal, Aspirdrops, Bialpirina, Clariprin

Molecular Formula:	C₉H₈O₄	Molecular Weight:	180.157420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: BSYNRYMUTXBXSQ-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

• Bacitracin

IUPAC Name: 4-[[2-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[1-[[19-(2-amino-2-oxoethyl)-4-(3-aminopropyl)-10-benzyl-7-butan-2-yl-16-(carboxymethyl)-13-(4H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-3,6,9,12,15,18,21-heptazacyclopentacos-1-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid; zinc | CAS Registry Number: 1405-87-4
Synonyms: Bacitracin zinc, bacitracin, Cortisporin, Polysporin, Neosporin, Baciim, Zinc bacitracin, Neosporin Plus, Neo-Polycin, Bacitracin (TN), Ziba-RX, Baciim (TN), Caswell No. 909A, Ziba-RX (TN), Bacitracin zinc (USP), Bacitracin zinc [BAN], Bacitracins zinc complex, Neobacimyx (Veterinary), Bacitracins, zinc complex, Neobacimyx-H (Veterinary)

Molecular Formula:	C₆₆H₁₀₃N₁₇O₁₆SZn	Molecular Weight:	1488.102320 [g/mol]
H-Bond Donor:	16	H-Bond Acceptor:	21

InChIKey: QSNOBVJFKSQBBD-UHFFFAOYSA-N

• BACITRACIN ZINC

IUPAC Name: 4-[[2-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[1-[[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-butan-2-yl-6-(carboxymethyl)-9-(4H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid;zinc | CAS Registry Number: 92528-87-5
Synonyms: Zinc bacitracin, Albac, Caswell No. 909A, Bacitracins zinc complex, AC1MJ14E, UNII-89Y4M234ES, 1405-87-4 (Parent), EINECS 215-787-8, AKOS015896384, EPA Pesticide Chemical Code 006309, FT-0622546, I06-1960, I14-51909, 11031-59-7, 4-[[2-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[1-[[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-butan-2-yl-6-(carboxymethyl)-9-(4H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid; zinc, 73560-74-4, 8028-08-8, 8028-35-1, 8058-81-9

Molecular Formula:	C₆₆H₁₀₃N₁₇O₁₆SZn	Molecular Weight:	1488.073320 [g/mol]
H-Bond Donor:	16	H-Bond Acceptor:	21

InChIKey: QSNOBVJFKSQBBD-UHFFFAOYSA-N

• Bezafibrate

IUPAC Name: 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid | CAS Registry Number: 41859-67-0
Synonyms: bezafibrate, Cedur, Bezalip, Bezafibrat, durabezur, Reducterol, Sklerofibrat, Azufibrat, Befibrat, Bezabeta, Bezafisal, Bezamerck, Difaterol, Befizal, Bezacur, Bezatol, Eulitop, Solibay, Lipox, BezaLande

Molecular Formula:	C₁₉H₂₀ClNO₄	Molecular Weight:	361.819400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: IIBYAHWJQTYFKB-UHFFFAOYSA-N

• BRETAZENIL

Synonyms: Bretazenil, Bretazenilum, Bretazenilum [INN-Latin], UNII-OSZ0E9DGOJ, Bretazenil (USAN/INN), Bretazenil [USAN:INN], C19H20BrN3O3, CHEBI:391366, BRN 4765855, CID107926, PDSP1_000566, PDSP2_000564, Ro 16-6028, Ro-16-6028, NCGC00160640-01, NCGC00160640-02, LS-80436, Ro-16-6028/000, D03155, 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepine-1-carboxylic acid, 8-bromo-11,12,13,13a-tetrahydro-9-oxo-, 1,1-dimethylethyl ester, (S)-

Molecular Formula:	C₁₉H₂₀BrN₃O₃	Molecular Weight:	418.284400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: LWUDDYHYYNNIQI-ZDUSSCGKSA-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

• Camptothecine

Molecular Formula:	C₂₀H₁₆N₂O₄	Molecular Weight:	348.352040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: VSJKWCGYPAHWDS-FQEVSTJZSA-N

• Capecitabine

IUPAC Name: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate | CAS Registry Number: 154361-50-9
Synonyms: Xeloda, CAPECITABINE, Capecitabine [USAN], Xeloda (TN), Capecitabine (JAN/USAN/INN), C15H22FN3O6, Ro 09-1978, DB01101, Ro-09-1978, LS-59070, N(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine, Ro 09-1978/000, R-340, 5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine, C12650, D01223, C110904, Cytidine, 5'-deoxy-5-fluoro-N-((pentyloxy)carbonyl)-, Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate, Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester

Molecular Formula:	C₁₅H₂₂FN₃O₆	Molecular Weight:	359.350083 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: GAGWJHPBXLXJQN-UORFTKCHSA-N

• Carbomer

IUPAC Name: prop-2-enoic acid | CAS Registry Number: 9007-20-9
Synonyms: ACRYLIC ACID, 2-Propenoic acid, Propenoic acid, Acroleic acid, Vinylformic acid, Propene acid, enoate, enoates, Carbomerum, Polyacrylate, Propenoate, Carbomere, Carbomero, Carbopol, Carpolene, Texcryl, Arolon, Racryl, Tecpol, enoate esters

Molecular Formula:	C₃H₄O₂	Molecular Weight:	72.062660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NIXOWILDQLNWCW-UHFFFAOYSA-N

• Chrysin

IUPAC Name: 5,7-dihydroxy-2-phenylchromen-4-one | CAS Registry Number: 480-40-0
Synonyms: chrysin, Chrysine, 5,7-Dihydroxyflavone, Crysin, Galangin flavanone, 5,7-diOH-Flavone, 5,7-dihydroxy-flavone, Spectrum_000245, Prestwick0_000889, Prestwick1_000889, Prestwick2_000889, Prestwick3_000889, Spectrum2_000753, Spectrum3_001399, Spectrum4_000780, Spectrum5_001503, FLAVONE, 5,7-DIHYDROXY-, Oprea1_045160, BSPBio_000678, BSPBio_002514

Molecular Formula:	C₁₅H₁₀O₄	Molecular Weight:	254.237500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: RTIXKCRFFJGDFG-UHFFFAOYSA-N

• Cladribine

IUPAC Name: (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 4291-63-8
Synonyms: Leustatin, Chlorodeoxyadenosine, Cladarabine, 2-Chlorodeoxyadenosine, 2-Chloro-2'-deoxyadenosine, Leustatin (TN), 2-CdA, 2 Chlorodeoxyadenosine, 2CdA, 2-Chloro-2'-deoxy-beta-adenosine, MLS000028377, MLS000028484, MLS000759397, MLS001077345, Cladribine (JAN/USAN/INN), Cladribine [USAN:BAN:INN], Cladribine [USAN:INN:BAN], Adenosine, 2-chloro-2'-deoxy, C10H12ClN5O3.C3H8, NSC 105014-F

Molecular Formula:	C₁₀H₁₂ClN₅O₃	Molecular Weight:	285.686980 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: PTOAARAWEBMLNO-KVQBGUIXSA-N

• Cyclosporine A

IUPAC Name: (2S,5S,8S,11S,14R,17S,20S,23S,26S,32S)-32-ethyl-2-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,27,30-nonamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23-di(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 59865-13-3
Synonyms: cyclosporin A, cyclosporine, Ciclosporin, Cyclosporin, Sandimmune, Ramihyphin A, Sigmasporin, Consupren, Cyclokat, Mitogard, Neoplanta, Papilock, Pulminiq, Restasis, Sandimmun, Equoral, Gengraf, Vekacia, Neoral, Consupren S

Molecular Formula:	C₆₂H₁₁₁N₁₁O₁₂	Molecular Weight:	1202.611240 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	12

InChIKey: PMATZTZNYRCHOR-CGLBZJNRSA-N

• Dolasetron Mesylate

Synonyms: Anzemet, Anzemet (TN), DOLASETRON MESYLATE, Dolasetron mesylate (USP), CID441346, D00725

Molecular Formula:	C₂₀H₂₄N₂O₆S	Molecular Weight:	420.479360 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: PSGRLCOSIXJUAL-UHFFFAOYSA-N

• Ethambutol

IUPAC Name: (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol | CAS Registry Number: 74-55-5
Synonyms: ethambutol, Tibutol, Ethambutol & EEP, Ethambutol & Propolis, Spectrum_001058, Spectrum2_001014, Spectrum3_000426, Spectrum4_000545, Spectrum5_000702, Ethambutol & CRL8131, Myambutol (dihydrochloride), BSPBio_002012, KBioGR_001209, KBioSS_001538, DivK1c_000561, SPBio_001167, CL 40881 (dihydrochloride), KBio1_000561, KBio2_001538, KBio2_004106

Molecular Formula:	C₁₀H₂₄N₂O₂	Molecular Weight:	204.309760 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: AEUTYOVWOVBAKS-UWVGGRQHSA-N

• Flutamide

IUPAC Name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide | CAS Registry Number: 13311-84-7
Synonyms: flutamide, Eulexin, Niftolide, niftolid, Niftholide, Drogenil, Eulexine, Chimax, Flutandrona, Prostandril, Prostogenat, Flutacell, Flutamin, Flutaplex, Flutexin, Grisetin, NFBA, Prostacur, Prostica, Testotard

Molecular Formula:	C₁₁H₁₁F₃N₂O₃	Molecular Weight:	276.211850 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: MKXKFYHWDHIYRV-UHFFFAOYSA-N

• GLUCUROLACTONE

IUPAC Name: (2R,3R,3aR,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one | CAS Registry Number: 63-29-6
Synonyms: Mannuronolactone, CID6130, D-Glucofuranuronic acid, gamma-lactone, Glucofuranuronic acid, gamma-lactone, D-, 3428-13-5

Molecular Formula:	C₆H₈O₆	Molecular Weight:	176.124120 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: OGLCQHRZUSEXNB-UAPNVWQMSA-N

• Glutaronitrile

IUPAC Name: pentanedinitrile | CAS Registry Number: 544-13-8
Synonyms: Glutarodinitrile, PENTANEDINITRILE, 1,3-Dicyanopropane, Glutaric acid dinitrile, Pyrotartaric acid nitrile, 1,3-Trimethylenedinitrile, WLN: NC3CN, 130621_ALDRICH, NSC 3807, 49730_FLUKA, EINECS 208-861-6, NSC3807, CID10994, CPD-8864, BRN 1738385, ZINC01672862, AI3-07024, BBV-045631, LS-157460, 4-02-00-01941 (Beilstein Handbook Reference)

Molecular Formula:	C₅H₆N₂	Molecular Weight:	94.114540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZTOMUSMDRMJOTH-UHFFFAOYSA-N

• Ibuprofen

IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid | CAS Registry Number: 15687-27-1
Synonyms: ibuprofen, Motrin, Brufen, Andran, Liptan, Nuprin, Advil, Butylenin, Ibuprocin, Anflagen, Buburone, Ibumetin, Medipren, Nobfelon, Lamidon, Pantrop, Rebugen, Dolgit, Ebufac, Rufen

Molecular Formula:	C₁₃H₁₈O₂	Molecular Weight:	206.280820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HEFNNWSXXWATRW-UHFFFAOYSA-N

• Isonicotinyl Hydrazide (INH)

IUPAC Name: pyridine-4-carbohydrazide | CAS Registry Number: 54-85-3
Synonyms: isoniazid, Nicotibina, Andrazide, Cotinazin, Dinacrin, Hydrazid, Laniazid, Neoteben, Nicizina, Nicozide, Nydrazid, Pycazide, Ditubin, Iscotin, Isonicotinohydrazide, Mybasan, Niconyl, Rimifon, Isolyn, Isonex

Molecular Formula:	C₆H₇N₃O	Molecular Weight:	137.139280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: QRXWMOHMRWLFEY-UHFFFAOYSA-N

• Levodropropizine

IUPAC Name: (2S)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol | CAS Registry Number: 99291-25-5
Synonyms: Levdropropizine, Levotuss, Danka, dropropizine, Salvituss, Rapitux, (-)-Dropropizine, Levodropropizine [INN], dipropizine, (S)-isomer, Levodropropizinum [INN-Latin], Levodropropizina [INN-Spanish], DF 526, C13H20N2O2, CID65859, DF-526, NCGC00016730-01, NCGC00018230-01, CAS-17692-31-8, LS-120712, S(-)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol

Molecular Formula:	C₁₃H₂₀N₂O₂	Molecular Weight:	236.310100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: PTVWPYVOOKLBCG-ZDUSSCGKSA-N

• Levodropropizine

IUPAC Name: (2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol | CAS Registry Number: 99291-24-4
Synonyms: dropropizine, (+)-Dropropizine, Dropropizine S-form, Levdropropizina [Latin,Spanish], C13H20N2O2, BRN 3592398, CID688451, LS-120710, (R)-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol, 1,2-Propanediol, 3-(4-phenyl-1-piperazinyl)-, (R)-, 5-23-02-00111 (Beilstein Handbook Reference)

Molecular Formula:	C₁₃H₂₀N₂O₂	Molecular Weight:	236.310100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: PTVWPYVOOKLBCG-CYBMUJFWSA-N

• Levosulpiride

IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide | CAS Registry Number: 23672-07-3
Synonyms: Levopraid, Levogastrol, Levopraid (TN), (-)-Sulpiride, Levosulpiride (INN), Tocris-0895, (S)-(-)-sulpiride, Sulpiride [L-(-)], Biomol-NT_000030, Lopac0_001089, MLS000759490, MLS001424014, S7771_SIGMA, 34002_RIEDEL, BPBio1_001221, (S)-(−)-Sulpiride, PDSP1_000516, PDSP1_000620, PDSP1_001649, PDSP2_000514

Molecular Formula:	C₁₅H₂₃N₃O₄S	Molecular Weight:	341.425820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: BGRJTUBHPOOWDU-NSHDSACASA-N

• Meloxicam

IUPAC Name: (3E)-3-[hydroxy-[(5-methyl-1,3-thiazol-2-yl)amino]methylidene]-2-methyl-1,1-dioxobenzo[e]thiazin-4-one | CAS Registry Number: 71125-38-7
Synonyms: meloxicam, Mobic, Mobec, Movalis, miloxicam, Metacam, Mobicox, Parocin, Masflex, Movatec, Movicox, Tenaron, Uticox, Meloxicamum [Latin], Mobic (TN), UH-AC 62XX, Abbott brand of meloxicam, Squibb brand of meloxicam, Promeco brand of meloxicam, Meloxicam [USAN:BAN:INN]

Molecular Formula:	C₁₄H₁₃N₃O₄S₂	Molecular Weight:	351.400720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: DWMREKMVXIFPFM-ACCUITESSA-N

• Metamizole magnesium

IUPAC Name: magnesium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate | CAS Registry Number: 63372-86-1
Synonyms: EINECS 264-113-9, Bis(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)methanesulphonato)magnesium

Molecular Formula:	C₂₆H₃₂MgN₆O₈S₂	Molecular Weight:	645.002680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	12

InChIKey: NHMUJYOBLYTIKO-UHFFFAOYSA-L

• Metronidazole

IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol | CAS Registry Number: 443-48-1
Synonyms: metronidazole, Flagyl, Metronidazol, Anagiardil, Gineflavir, Metronidaz, Novonidazol, Sanatrichom, Trichocide, Flagemona, Giatricol, Meronidal, Takimetol, Trichazol, Trichomol, Trichopol, Trikacide, Acromona, Deflamon, Flagesol

Molecular Formula:	C₆H₉N₃O₃	Molecular Weight:	171.153960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: VAOCPAMSLUNLGC-UHFFFAOYSA-N

• Milrinone

IUPAC Name: 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile | CAS Registry Number: 78415-72-2
Synonyms: milrinone, Primacor, Milrinone lactate, Milrila, Milrinonum [Latin], Milrinona [Spanish], Milrila (TN), Ambap5086, Tocris-1504, Prestwick0_001065, Prestwick1_001065, Prestwick2_001065, Prestwick3_001065, Lopac-M-4659, Milrinone [USAN:BAN:INN], CCRIS 3795, Lopac0_000737, BSPBio_001050, Milrinone (JAN/USAN/INN), MLS000028818

Molecular Formula:	C₁₂H₉N₃O	Molecular Weight:	211.219360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PZRHRDRVRGEVNW-UHFFFAOYSA-N

• Mizoribine

IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide | CAS Registry Number: 50924-49-7
Synonyms: mizoribine, Bredinin, Bredinine, Bredinin (TN), Mizoribine [INN:JAN], Mizoribinum [INN-Latin], Mizoribina [INN-Spanish], Mizoribine (JAN/INN), Spectrum2_001559, Spectrum3_000739, Spectrum4_000220, Spectrum5_001671, mizoribine 5'-monophosphate, HE-69, Lopac0_000745, BSPBio_002298, KBioGR_000859, MLS000028813, MLS001076272, DivK1c_000948

Molecular Formula:	C₉H₁₃N₃O₆	Molecular Weight:	259.216020 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	8

InChIKey: HZQDCMWJEBCWBR-UUOKFMHZSA-N

• Nicorandil

IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl nitrate | CAS Registry Number: 65141-46-0
Synonyms: NICORANDIL, Adancor, Sigmart, Dancor, Ikorel, Sigmart (TN), 2-Nicotinamidoethyl nitrate, Nicorandil Merck Brand, Tocris-2147, 2-Nicotinamidethyl Nitrate, Nicorandilum [INN-Latin], Nicorandil Aventis Brand, Merck Brand of Nicorandil, 2-(Nicotinamido)ethyl nitrat, 2 Nicotinamidethyl Nitrate, 2 Nicotinamidoethyl Nitrate, Aventis Brand of Nicorandil, Nitrate, 2-Nicotinamidethyl, SG 75, SG-75

Molecular Formula:	C₈H₉N₃O₄	Molecular Weight:	211.174760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: LBHIOVVIQHSOQN-UHFFFAOYSA-N

• Oxytetracycline

IUPAC Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione | CAS Registry Number: 79-57-2
Synonyms: oxytetracycline, Imperacin, Terramycin, Oxymycin, Oxitetracyclin, Oxyterracine, Oxyterracyne, Oxytetracyclin, Solkaciclina, Terrafungine, Dabicycline, Lenocycline, Liquamycin, Oksisyklin, Oxysteclin, Oxyterracin, Proteroxyna, Terramitsin, Ursocyclin, Ursocycline

Molecular Formula:	C₂₂H₂₄N₂O₉	Molecular Weight:	460.433960 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	11

InChIKey: FYDOORKXBWEKQM-GUQPPTOYSA-N

• Pantoprazole Sodium

IUPAC Name: sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide | CAS Registry Number: 138786-67-1
Synonyms: Pantoloc, Protonix, pantoprazole, Anagastra, Controloc, Pantecta, Pantopan, Pantozol, Peptazol, Ulcotenal, Inipomp, Pantorc, Protium, Zurcal, Apton, Rifun, Pantozol Control, Protonix IV, Protonix I.V, Ambap2569

Molecular Formula:	C₁₆H₁₄F₂N₃NaO₄S	Molecular Weight:	405.351636 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	9

InChIKey: YNWDKZIIWCEDEE-UHFFFAOYSA-N

• 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

• Protionamide

IUPAC Name: 2-propylpyridine-4-carbothioamide | CAS Registry Number: 14222-60-7
Synonyms: prothionamide, Trevintix, Ektebin, Tuberex, Prothionamidum, Protionizina, Protionamid, Tebeform, Peteha, Trevintix (TN), Protionamide (INN), 2-Propylthioisonicotinamide, Prothionamide (JP15), Protionamidum [INN-Latin], 2-Propyl-thioisonicotinamide, Protionamida [INN-Spanish], Spectrum2_000019, Spectrum3_001964, 2-Propylisonicotinylthioamide, Isonicotinamide, 2-propylthio-

Molecular Formula:	C₉H₁₂N₂S	Molecular Weight:	180.269980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: VRDIULHPQTYCLN-UHFFFAOYSA-N

• Prulifloxacin

IUPAC Name: (1R)-6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid | CAS Registry Number: 123447-62-1
Synonyms: Sword, PUFX, Sword (TN), Prulifloxacin (JAN/INN), CID443877, TL8000628, D01144

Molecular Formula:	C₂₁H₂₀FN₃O₆S	Molecular Weight:	461.463403 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	10

InChIKey: PWNMXPDKBYZCOO-LLVKDONJSA-N

• PVP-Iodine

IUPAC Name: 1-ethenylpyrrolidin-2-one; molecular iodine | CAS Registry Number: 25655-41-8
Synonyms: Isobetadyne, Betadine, Povadyne, Ultradine, Bridine, Disphex, Isodine, Povidone iodine, Povidone-iodine, Efo-dine, PVP iodine, Povadyne antiseptic, PVP-I, PVP1_SIGMA, Iodopoly(vinyl pyrrolidinone), Iodine-poly(vinylpyrrolidinone), Poly(vinylpyrrolidinone) iodide, Iodinated poly(vinylpyrrolidone), NSC26245, AIDS000368

Molecular Formula:	C₆H₉I₂NO	Molecular Weight:	364.950700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: CPKVUHPKYQGHMW-UHFFFAOYSA-N

• Pyrazinamide

IUPAC Name: pyrazine-2-carboxamide | CAS Registry Number: 98-96-4
Synonyms: pyrazinamide, pyrazinecarboxamide, pyrazinoic acid amide, Pyrazineamide, Aldinamide, Pirazimida, Pirazinamid, Aldinamid, Unipyranamide, Farmizina, Tebrazid, Zinamide, Eprazin, Novamid, Pyrafat, 2-Carbamylpyrazine, Rifater, Tisamid, pyrazine carboxylamide, Pharozinamide

Molecular Formula:	C₅H₅N₃O	Molecular Weight:	123.112700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IPEHBUMCGVEMRF-UHFFFAOYSA-N

• Rifampicin

Synonyms: rifampin, Rimactane, Rifadin, Rimactan, Riforal, Ramp, Rifa, Rifaldazine, Rifaprodin, Rifoldine, Rimactizid, Archidyn, Rifoldin, Rifagen, Rimazid, Tubocin, Rifamycin AMP, Rifampicin SV, Rifampicinum, Fenampicin

Molecular Formula:	C₄₃H₅₈N₄O₁₂	Molecular Weight:	822.940220 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	15

InChIKey: FZYOVNIOYYPUPY-ZTWDQPHTSA-N

• Rifapentine

Synonyms: Priftin, RIFAPENTINE, Priftin (TN), Cyclopentyl rifampin, Cyclopentylrifampicin, Rifamycin AF/ACPP, Rifapentine (USAN/INN), KTC 1, MDL473, CHEBI:45304, MDL 473, MDL-473, AIDS007686, DL473, AIDS-007686, DL 473, DL-473, C08059, D00879, R 77-3

Molecular Formula:	C₄₇H₆₄N₄O₁₂	Molecular Weight:	877.030660 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	15

InChIKey: RISDZDVHYCURHD-QLWTZYDESA-N

• Silybin

IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-2,3-dihydrochromen-4-one | CAS Registry Number: 22888-70-6
Synonyms: silibinin, Silliver, Silybine, Silymarin I, Flavobin, Flavobin Spofa, Silymarine I, Silimarin, Legalon, Silibin, Carsil, SILYMARIN, Silibinin [INN], KARSIL, Silybin (7CI), Silibinine [INN-French], Silibininum [INN-Latin], Silibinina [INN-Spanish], Spectrum2_001694, Spectrum3_001132

Molecular Formula:	C₂₅H₂₂O₁₀	Molecular Weight:	482.436180 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	10

InChIKey: SEBFKMXJBCUCAI-HKTJVKLFSA-N

• SIROLIMUS (CAS: 53123-88-5)

• Streptomycin

IUPAC Name: 2-[(1S,2R,3R,4S,5R,6R)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine | CAS Registry Number: 57-92-1
Synonyms: streptomycin, Streptomycin A, Streptomycin sulfate, Streptomycin sulphate, Streptomycin & EEP, Liposomal Streptomycin, Streptomycin A sulfate, Streptomycin & Propolis, Streptomycin, Sulfate Salt, Streptomycin & CRL8131, STOCK1N-52411, CHEBI:17076, Streptomycin Sesquisulfate Hydrate, AIDS007346, AIDS008556, AIDS032286, AIDS088819, AIDS-007346, AIDS-008556, AIDS-032286

Molecular Formula:	C₂₁H₃₉N₇O₁₂	Molecular Weight:	581.574060 [g/mol]
H-Bond Donor:	12	H-Bond Acceptor:	19

InChIKey: UCSJYZPVAKXKNQ-HZYVHMACSA-N

• Streptomycin Sulphate

IUPAC Name: 2-[(1S,2R,3R,4S,5R,6R)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine; sulfuric acid | CAS Registry Number: 3810-74-0
Synonyms: Estreptomicina, Estreptopanto, Streotitgebat, Intromycin, Phytomycin, Plantomycin, Strepsulfat, Streptorex, Agristrep, Streoikub, Strepcin, Strepvet, Vetstrep, Strycin, Streptomycin sulfate, Strep-gran, Ambistryn S, Agri-Strep, Streptomyzinsulfat, Agrimycin 17

Molecular Formula:	C₄₂H₈₄N₁₄O₃₆S₃	Molecular Weight:	1457.383560 [g/mol]
H-Bond Donor:	30	H-Bond Acceptor:	50

InChIKey: QTENRWWVYAAPBI-YCRXJPFRSA-N