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• Adrenal

IUPAC Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol | CAS Registry Number: 51-43-4
Synonyms: epinephrine, l-Adrenaline, adrenaline, Adrenalin, Levoepinephrine, L-epinephrine, Adrenalinum, Epinephran, Epipen, l-Epirenamine, Antiasthmatique, Methylarterenol, Esphygmogenina, Hypernephrin, Isoptoepinal, Racepinephrine, Renostypticin, Sphygmogenin, Stryptirenal, Supracapsulin

Molecular Formula:	C₉H₁₃NO₃	Molecular Weight:	183.204420 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: UCTWMZQNUQWSLP-VIFPVBQESA-N

• Albendazole

IUPAC Name: methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate | CAS Registry Number: 54965-21-8
Synonyms: albendazole, Valbazen, Albenza, Eskazole, Zentel, Proftril, Bilutac, Metiazol, Zental, Albendoral, Bendapar, Digezanol, Disthelm, Endoplus, Gascop, Lurdex, Prestwick_675, Albenza (TN), Mediamix V Disthelm, Disthelm, Mediamix V

Molecular Formula:	C₁₂H₁₅N₃O₂S	Molecular Weight:	265.331400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: HXHWSAZORRCQMX-UHFFFAOYSA-N

• Alibendol

IUPAC Name: 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-prop-2-enylbenzamide | CAS Registry Number: 26750-81-2
Synonyms: Alibendolum [INN-Latin], Ambap5414, Alibendol [DCF:INN], Alibendol [INN:DCF], FC 54, C13H17NO4, EINECS 247-960-9, CID71916, BRN 2735959, NCGC00164629-01, LS-25268, TL8002126, 5-Allyl-N-(2-hydroxyethyl)-3-methoxysalicylamide, Benzamide, 5-allyl-2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-, m-Anisamide, 5-allyl-2-hydroxy-N-(2-hydroxyethyl)-, Hydroxy-2 methoxy-3 allyl-5 N-(beta-hydroxy ethyl)benzamide [French], m-Anisamide, 5-allyl-2-hydroxy-N-(2-hydroxyethyl)- (8CI), Benzamide, 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)-, Benzamide, 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)- (9CI)

Molecular Formula:	C₁₃H₁₇NO₄	Molecular Weight:	251.278380 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: UMJHTFHIQDEGKB-UHFFFAOYSA-N

• Allo-Purinol

IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one | CAS Registry Number: 315-30-0
Synonyms: allopurinol, Zyloprim, Lopurin, Zyloric, Uripurinol, Atisuril, Bleminol, Embarin, Foligan, Milurit, Progout, Urosin, Anoprolin, Cellidrin, Epidropal, Suspendol, Alositol, Apulonga, Bloxanth, Caplenal

Molecular Formula:	C₅H₄N₄O	Molecular Weight:	136.111460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: OFCNXPDARWKPPY-UHFFFAOYSA-N

• Allyl Bromide

IUPAC Name: 3-bromoprop-1-ene | CAS Registry Number: 106-95-6
Synonyms: Bromallylene, 3-Bromopropene, ALLYL BROMIDE, 3-Bromopropylene, 3-Bromo-1-propene, Propene, 3-bromo-, 1-Propene, 3-bromo-, 2-Propenyl bromide, 1-Bromo-2-propene, 3-bromoprop-1-ene, HSDB 622, A29585_ALDRICH, WLN: E2U1, 337528_ALDRICH, CCRIS 9049, NSC 7596, 05860_FLUKA, EINECS 203-446-6, NSC7596, UN1099

Molecular Formula:	C₃H₅Br	Molecular Weight:	120.975800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: BHELZAPQIKSEDF-UHFFFAOYSA-N

• Amiloride

IUPAC Name: 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide | CAS Registry Number: 2609-46-3
Synonyms: AMILORIDE, Amipramidin, Amipramizid, Guanamprazin, Amipramizide, Guanamprazine, Midamor, Amiclaran, Amyloride, Amiloride HCL, Amiclaran (TN), Amiloride (INN), Amiloridum [INN-Latin], Amilorida [INN-Spanish], Spectrum_000034, Tocris-0890, 1f5l, Amiloride [INN:BAN], C6H8ClN7O, Prestwick0_000007

Molecular Formula:	C₆H₈ClN₇O	Molecular Weight:	229.627020 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: XSDQTOBWRPYKKA-UHFFFAOYSA-N

• Amiodarone Base

IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanone | CAS Registry Number: 1951-25-3
Synonyms: amiodarone, Amiodarona, Amjodaronum, Cordarone, Kordaron, Tachydaron, Amiobeta, Amiodarex, Amiohexal, Corbionax, Cordarex, Ortacrone, Rytmarone, Trangorex, Aratac, Braxan, Amiodarone HCL, Amiodarone hydrochloride, nchembio.79-comp9, nchembio732-comp1

Molecular Formula:	C₂₅H₂₉I₂NO₃	Molecular Weight:	645.311600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IYIKLHRQXLHMJQ-UHFFFAOYSA-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

• Amoxapine

IUPAC Name: 8-chloro-6-piperazin-1-ylbenzo[b][1,5]benzoxazepine | CAS Registry Number: 14028-44-5
Synonyms: amoxapine, Asendin, Amoxepine, Demolox, Moxadil, Amoxan, Desmethylloxapin, Desmethylloxapine, Prestwick_503, Asendin (TN), Amoxapinum [INN-Latin], Amoxapina [INN-Spanish], Spectrum_000446, Lopac-A-129, Prestwick0_000102, Prestwick1_000102, Prestwick2_000102, Prestwick3_000102, Spectrum2_001245, Spectrum3_001067

Molecular Formula:	C₁₇H₁₆ClN₃O	Molecular Weight:	313.781440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QWGDMFLQWFTERH-UHFFFAOYSA-N

• Arsanilic Acid

IUPAC Name: (4-aminophenyl)arsonic acid | CAS Registry Number: 98-50-0
Synonyms: p-Arsanilic acid, Atoxylic acid, 4-Arsanilic acid, ARSANILIC ACID, o-Arsanilic acid, Antoxylic acid, Pro-Gen, Arsanilsaeure, R-Sonic, Progen 90, Aminophenylarsine acid, p-Anilinearsonic acid, Arsanilic acid-100, 4-Aminobenzenearsonic acid, Pro-Gen 227 premix, 4-Aminophenylarsonsaeure, (4-Aminophenyl)arsonic acid, p-Aminophenylarsonic acid, o-Aminobenzenearsonic acid, p-Aminobenzenearsonic acid

Molecular Formula:	C₆H₈AsNO₃	Molecular Weight:	217.054220 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: XKNKHVGWJDPIRJ-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

• Azathioprine

IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine | CAS Registry Number: 446-86-6
Synonyms: azathioprine, Azothioprine, Azathioprin, Azatioprin, Imuran, Rorasul, Azamun, Azanin, Ccucol, Imurek, Imurel, Muran, Cytostatics, Immuran, Azasan, azatiopr in, Azamun [Czech], Azathioprine sodium, Imuran (TN), Prestwick_41

Molecular Formula:	C₉H₇N₇O₂S	Molecular Weight:	277.262580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: LMEKQMALGUDUQG-UHFFFAOYSA-N

• Bambuterol

IUPAC Name: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate | CAS Registry Number: 81732-65-2
Synonyms: Bambec, Bambuterolum [Latin], Bambuterol (INN), Bambuterol [BAN:INN], BAMBUTEROL HYDROCHLORIDE, Prestwick0_000361, Prestwick1_000361, Prestwick2_000361, Prestwick3_000361, BSPBio_000481, MLS002153785, SPBio_002402, BPBio1_000531, BB_SC-5089, C18H29N3O5, KWD-2183, DB01408, NCGC00179546-01, LS-49501, SMR001233168

Molecular Formula:	C₁₈H₂₉N₃O₅	Molecular Weight:	367.439960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: ANZXOIAKUNOVQU-UHFFFAOYSA-N

• Benidipine

IUPAC Name: 5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 119065-60-0
Synonyms: 105979-17-7, Benidipene, Benidipine [INN], benidipine hydrochloride, Benidipine (INN), Coniel, Benidipinum [Latin], Benidipino [Spanish], Benidipino, Benidipinum, NCGC00185768-01, C28H31N3O6, AC1LCVDP, SCHEMBL24516, CHEMBL2105555, CHEMBL3303980, DTXSID0022648, CTK8E8626, (+-)-(R*)-3-((R*)-1-Benzyl-3-piperidyl) methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate, ZINC21992076

Molecular Formula:	C₂₈H₃₁N₃O₆	Molecular Weight:	505.571 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: QZVNQOLPLYWLHQ-ZEQKJWHPSA-N

• Betamethasone Base

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

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

InChIKey: UREBDLICKHMUKA-DVTGEIKXSA-N

• Bicalutamide

IUPAC Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide | CAS Registry Number: 90357-06-5
Synonyms: bicalutamide, Casodex, (R)-Bicalutamide, R-BICALUTAMIDE, Bicalutamide [USAN:BAN:INN], CHEBI:3090, STOCK6S-47735, 1z95, CID56069, DB01128, DB02932, ICI 176334, BRN 5364666, NCGC00167487-01, (2R)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)SULFONYL]-2-HYDROXY-2-METHYLPROPANAMIDE, (+-)-4'-Cyano-alpha,alpha,alpha-trifluoro-3-((p-fluorophenyl)sulfonyl)-2-methyl-m-lactotoluidide, (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide, Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-, (+-)-

Molecular Formula:	C₁₈H₁₄F₄N₂O₄S	Molecular Weight:	430.373373 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: LKJPYSCBVHEWIU-KRWDZBQOSA-N

• Bismuth Oxide

IUPAC Name: dibismuth oxygen(2-) | CAS Registry Number: 1304-76-3
Synonyms: Bismuth tetroxide, Bismuth oxide (BiO2), EINECS 234-985-5, CID160977, 12048-50-9, 171869-78-6

Molecular Formula:	Bi₂O₃	Molecular Weight:	465.958960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: TYIXMATWDRGMPF-UHFFFAOYSA-N

• Bismuth Subgallate

IUPAC Name: 2-hydroxy-7,9-dioxa-8$l^{2}-bismabicyclo[4.3.0]nona-1,3,5-triene-4-carboxylic acid hydrate | CAS Registry Number: 99-26-3
Synonyms: Dermatol, Dermatol puder, Wismutgallathydroxid, Bismuth subgallas, BISMUTH SUBGALLATE, Bismutum subgallicum, Dermatol Ointment, Basic bismuth gallate, Dermatol (TN), Wismutgallat, basisches, Caswell No. 098B, basisches Wismutgallat, Gallic acid bismuth basic salt, C7H5BiO6, Bismuth Subgallate [USAN:JAN], 15102_FLUKA, Bismuth subgallate (JP15/USP), CHEBI:31292, EINECS 202-742-2, Bismuth(III) gallate basic hydrate

Molecular Formula:	C₇H₆BiO₆	Molecular Weight:	395.099320 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: XXCBNHDMGIZPQF-UHFFFAOYSA-L

• Bismuth Subnitrate

Synonyms: Mammol, Novismuth, Vikaline, Vicalin, Bismuth paint, Bismuth Synlab, Cosmetic White, Bismuth White, Spanish White, Flake White, Paint White, Blanc de fard, Bismuth magistery, Bismuthyl nitrate, Bismuth oxynitrate, Bismuth subnitricum, Snowcal 5SW, Snowcal 5 SW, Magistery of bismuth, Mammol (TN)

Molecular Formula:	BiH₂N₃O₉	Molecular Weight:	397.010960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: HWSISDHAHRVNMT-UHFFFAOYSA-N

• Butenafine

IUPAC Name: 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine | CAS Registry Number: 101828-21-1
Synonyms: butenafine, Mentax, Butenafine [INN], Butenafine HCL, Butenafine (INN), Butenafine hydrochloride, Butenafinum [INN-Latin], Butenafina [INN-Spanish], Spectrum_001553, SpecPlus_000920, KBioSS_002033, DivK1c_007016, KBio1_001960, KBio2_002033, KBio2_004601, KBio2_007169, C23H27N, KP-363, AIDS008659, AIDS-008659

Molecular Formula:	C₂₃H₂₇N	Molecular Weight:	317.467180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ABJKWBDEJIDSJZ-UHFFFAOYSA-N

• Calcium Folinate

IUPAC Name: calcium (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate | CAS Registry Number: 1492-18-8
Synonyms: Wellcovorin, calcium folinate, Lederfoline, Calcium leucovorin, Uzel, LEUCOVORIN CALCIUM, Folinate-SF Calcium, Wellcovorin (TN), Prestwick_224, Folinic acid calcium salt, Leucovorin calcium salt, Calcium citrovorum factor, Uzel (TN), Leucovorin Calcium [USAN], Calcii folinas [INN-Latin], Leucovorin calcium (USP), Calcium folinate (JP15), Folinic acid-SF, calcium salt, Calcium 5-formyltetrahydrofolate, Folinato calcico [INN-Spanish]

Molecular Formula:	C₂₀H₂₁CaN₇O₇	Molecular Weight:	511.501440 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: KVUAALJSMIVURS-ZEDZUCNESA-L

• Carvedilol

IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol | CAS Registry Number: 72956-09-3
Synonyms: carvedilol, Coreg, Dilatrend, Eucardic, Artist, Kredex, Querto, Coropres, Coropress, Dimitone, Dibloc, Carvedilolum [Latin], Coreg CR, Artist (TN), Coreg (TN), Spectrum_001665, carvedilol, (R)-isomer, carvedilol, (S)-isomer, carvedilol, 14C-labeled, Roche brand of carvedilol

Molecular Formula:	C₂₄H₂₆N₂O₄	Molecular Weight:	406.474240 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: OGHNVEJMJSYVRP-UHFFFAOYSA-N

• Chlorprothixene

IUPAC Name: (3E)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine | CAS Registry Number: 113-59-7
Synonyms: chlorprothixene, Chlorprothixen, Chlorprotixen, Chlorprotixene, Chlothixen, Truxaletten, Iaractan, Rentovet, Taractan, Traquilan, Vetacalm, Tarasan, Trictal, Truxal, Truxil, Paxyl, Chlorprothixine, Chlorprotixine, Clorprotisene, Clorprotixeno

Molecular Formula:	C₁₈H₁₈ClNS	Molecular Weight:	315.860220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WSPOMRSOLSGNFJ-VGOFMYFVSA-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

• Clenbuterol

IUPAC Name: 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol | CAS Registry Number: 37148-27-9
Synonyms: clenbuterol, Planipart, Contraspasmin, Clenbuterol (INN), Contraspasmin (TN), Clenbuterolum [INN-Latin], Clenbuterol [BAN:INN], Planipart [veterinary], Spectrum_001564, Prestwick0_000345, Prestwick1_000345, Prestwick2_000345, Prestwick3_000345, Spectrum3_000975, Spectrum4_000743, Spectrum4_001099, Spectrum5_001497, BSPBio_000409, BSPBio_002609, KBioGR_001066

Molecular Formula:	C₁₂H₁₈Cl₂N₂O	Molecular Weight:	277.190120 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: STJMRWALKKWQGH-UHFFFAOYSA-N

• CLINDAMYCIN HCL (CAS: 21462-39-7)

• Clindamycin Phosphate

IUPAC Name: [(2R,3R,4S,5R,6R)-6-[2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate | CAS Registry Number: 24729-96-2
Synonyms: Cleocin, Evoclin, Dalacin-S, Cleocin (TN), Evoclin (TN), Clindamycin phosphate, Dalacin-S (TN), Clindamycin phosphate (JP15/USP), C11728, D01073

Molecular Formula:	C₁₈H₃₄ClN₂O₈PS	Molecular Weight:	504.962921 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: UFUVLHLTWXBHGZ-KUWMELJBSA-N

• Clopidogrel Bisulphate

IUPAC Name: methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acid | CAS Registry Number: 135046-48-9
Synonyms: Clopidogrel hydrogen sulfate, Clopidogrel hydrogensulfate, R-(-)-Clopidogrel Hydrogen Sulfate, SR-25990, PubChem5918, SureCN2307984, AGN-PC-015I9T, CTK8F1338, MolPort-003-983-863, ACN-S002003, ACT04766, ACT06725, AKOS005146215, AC-5597, NCGC00095065-01, NCGC00095065-02, I14-0711, ( inverted exclamation markA) Clopidogrel hydrogensulfate, Methyl (2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate hydrogen sulfate, methyl (s)-alpha-(2-chlorophenyl)-6,7-dihydrothieno(3,2-c)pyridine-5(4h)-acetate hydrogen sulfate

Molecular Formula:	C₁₆H₁₈ClNO₆S₂	Molecular Weight:	419.900220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: FDEODCTUSIWGLK-UHFFFAOYSA-N

• Clozapine

IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[c][1,5]benzodiazepine | CAS Registry Number: 5786-21-0
Synonyms: clozapine, Clozapin, Leponex, Fazaclo, Clorazil, Iprox, CLOZARIL, Asaleptin, Lepotex, Clozaril (TN), Prestwick_693, Ambap805, Clozapinum [INN-Latin], Clozapina [INN-Spanish], Spectrum_000139, Tocris-0444, Prestwick0_000350, Prestwick1_000350, Spectrum2_000919, Spectrum3_001828

Molecular Formula:	C₁₈H₁₉ClN₄	Molecular Weight:	326.823260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZUXABONWMNSFBN-UHFFFAOYSA-N

• Coenzyme Q-10

IUPAC Name: 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 303-98-0
Synonyms: ubidecarenone, Coenzyme Q10, Ubiquinone 50, ubiquinone-10, Justquinon, Neuquinon, Emitolon, Heartcin, Inokiten, Ubiquinone 10, Udekinon, Terekol, ubisemiquinone, Neuquinone, Luvacor, Adelir, Coenzyme Q, Ubiquinone, Armolipid, Mitocor

Molecular Formula:	C₅₉H₉₀O₄	Molecular Weight:	863.343500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ACTIUHUUMQJHFO-UPTCCGCDSA-N

• Colistin Sulfate

IUPAC Name: N-[(2R)-4-amino-1-[[(2S,3R)-1-[[(2R)-4-amino-1-oxo-1-[[(1R,4S,7R,11R,14S,17S,20S)-4,14,17-tris(2-aminoethyl)-20-(1-hydroxyethyl)-7-(2-methylpropyl)-2,5,8,12,15,18,21-heptaoxo-11-propan-2-yl-3,6,9,13,16,19,22-heptazacyclotetracos-1-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide; sulfuric acid | CAS Registry Number: 1264-72-8
Synonyms: Colistin sulfate, Prestwick_787

Molecular Formula:	C₅₂H₁₀₂N₁₆O₂₁S₂	Molecular Weight:	1351.590880 [g/mol]
H-Bond Donor:	22	H-Bond Acceptor:	26

InChIKey: ARRQDUSJNPQOGL-NTVPLWSUSA-N

• Crotamiton

IUPAC Name: (E)-N-ethyl-N-(2-methylphenyl)but-2-enamide | CAS Registry Number: 483-63-6
Synonyms: crotamiton, Eurax, Crotamitone, Crotalgin, Veteusan, Eurasil, Euraxil, Crotan, Caswell No. 431B, Eurax (TN), N-Ethyl-o-crotonotoluidide, Crotamitonum [INN-Latin], Prestwick2_000951, Prestwick3_000951, Crotonyl-N-ethyl-o-toluidine, BSPBio_000942, BSPBio_002722, Crotamiton (JAN/USP/INN), Crotamiton [BAN:INN:JAN], Crotamiton [INN:BAN:JAN]

Molecular Formula:	C₁₃H₁₇NO	Molecular Weight:	203.280180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DNTGGZPQPQTDQF-XBXARRHUSA-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

• D-Glucurono-3,6-Lactone

IUPAC Name: (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde | CAS Registry Number: 32449-92-6
Synonyms: Glucurone, Guronsan, glucuronolactone, Glucuronosan, Dicurone, Glucuron, Gluronsan, Glucoxy, D-Glucuronolactone, GLUCUROLACTONE, D-Glucurone, Guronsan (VAN), Reulatt S.S, Guronsan (TN), Reulatt S.S., Glucuronic acid lactone, D-Glucuronic acid lactone, Glucurono-6,3-lactone, D-Glucurono-3,6-lactone, D-Glucurono-6,3-lactone

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

InChIKey: UYUXSRADSPPKRZ-SKNVOMKLSA-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

• dexamethasone base (CAS: 1950-02-2)

• Diclazuril

IUPAC Name: 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile | CAS Registry Number: 101831-37-2
Synonyms: DICLAZURIL, Diclazuril (USAN/INN), 34057_RIEDEL, AIDS008313, AIDS-008313, CID456389, NCGC00168785-01, D03794, 2,6-Dichloro-.alpha.-(4-chlorophenyl)-4-(4,5- dihydro-3,5-dioxo-1,2,4-triazin-2(3H)- yl)benzeneacetonitrile, 2,6-Dichloro-alpha-(4-chlorophenyl)-4-[4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl]benzeneacetonitrile

Molecular Formula:	C₁₇H₉Cl₃N₄O₂	Molecular Weight:	407.637960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZSZFUDFOPOMEET-UHFFFAOYSA-N

• Dimecrotic acid

IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)but-2-enoic acid | CAS Registry Number: 7706-67-4
Synonyms: Dimecrotic acid [INN:DCF], 2,4-Dimethoxy-beta-methylcinnamic acid., dCF, MI

Molecular Formula:	C₁₂H₁₄O₄	Molecular Weight:	222.237160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: VNLOISSPTMDCIF-SOFGYWHQSA-N

• Dimethyl biphenyl-4,4'-dicarboxylate

IUPAC Name: methyl 4-(4-methoxycarbonylphenyl)benzoate | CAS Registry Number: 792-74-5
Synonyms: Maybridge1_001712, MLS000720058, 437905_ALDRICH, HSDB 5754, EINECS 212-341-4, SBB005981, ZINC00132343, 4,4'-Biphenyldicarboxylic acid, dimethyl ester, SMR000304587, DIMETHYL 4,4'-BIPHENYLDICARBOXYLATE, Dimethyl (1,1'-biphenyl)-4,4'-dicarboxylate, dimethyl [1,1'-biphenyl]-4,4'-dicarboxylate, [1,1'-Biphenyl]-4,4'-dicarboxylic acid, dimethyl ester, SR-01000397421-2, 4-(4-methoxycarbonyl-phenyl)-benzoic acid methyl ester, (1,1'-Biphenyl)-4,4'-dicarboxylic acid, dimethyl ester, 156326-47-5

Molecular Formula:	C₁₆H₁₄O₄	Molecular Weight:	270.279960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BKRIRZXWWALTPU-UHFFFAOYSA-N

• Doxazosin Mesylate

IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-2-yl)methanone; methanesulfonic acid | CAS Registry Number: 77883-43-3
Synonyms: Doxazosin mesylate, Cardura, Cardenalin, Progandol, Tensiobas, Cardular, Carduran, Dedralen, Doxazomerck, Prostadilat, Tonocardin, Cardoral, Cardoxan, Diblocin, Doxolbran, Kaltensif, Normathen, Supressin, Alfadil, Doksura

Molecular Formula:	C₂₄H₂₉N₅O₈S	Molecular Weight:	547.580760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	12

InChIKey: VJECBOKJABCYMF-UHFFFAOYSA-N

• Dyphylline

IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione | CAS Registry Number: 479-18-5
Synonyms: dyphylline, Diprophylline, Diphyllin, Diprofilline, Diprophyllin, Dipropylline, Diprofillin, Lufyllin, Aristophyllin, Neostenovasan, Neutrafillina, Neutraphyllin, Neutraphylline, Neutroxantina, Protheophylline, Silbephylline, Synthophylline, Asthmolysin, Astrophyllin, Glyphylline

Molecular Formula:	C₁₀H₁₄N₄O₄	Molecular Weight:	254.242560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: KSCFJBIXMNOVSH-UHFFFAOYSA-N

• Enalapril Maleate

IUPAC Name: (Z)-but-2-enedioic acid; (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 76095-16-4
Synonyms: Enalapril maleate, Renivace, Vasotec, Benalapril, Baripril, Crinoren, Innovace, Naprilene, Dabonal, Enapren, Renitec, Xanef, enalapril, Benalipril, Controlvas, Acetensil, Biocronil, Converten, Convertin, Coprilor

Molecular Formula:	C₂₄H₃₂N₂O₉	Molecular Weight:	492.518880 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: OYFJQPXVCSSHAI-QFPUQLAESA-N

• Epalrestat

IUPAC Name: 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | CAS Registry Number: 82159-09-9
Synonyms: epalrestat, Kinedak, Epalrestat [INN], Epalrestatum [Latin], Kinedak (TN), Epalrestat (JAN/INN), Ono 2235, Ono-2235, ONO 2, ONO-2, MLS000806985, C15H13NO3S2, SBB015450, NCGC00164613-01, SMR000414799, LS-151103, D01688, 3-carboxymethyl-5-(methyl-3-phenylpropenylidene)rhodanine, 5-((Z,E)-beta-Methylcinnamylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid, 3-Thiazolidineacetic acid, 5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-, (E,E)-

Molecular Formula:	C₁₅H₁₃NO₃S₂	Molecular Weight:	319.398620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CHNUOJQWGUIOLD-NFZZJPOKSA-N

• Epinephrine Bitartrate

IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol | CAS Registry Number: 51-42-3
Synonyms: Asmatane Mist, Medihaler-Epi, Asthmahaler, Suprarenin, Epitrate, Bronitin Mist, Sensorcaine, Duranest, Citanest Forte, Mixture Name, E-Pilo, Epinephrine bitartrate, Adrenaline bitartrate, L-Adrenaline tartrate, l-Epinephrine tartrate, l-Adrenaline bitartrate, Adrenaline acid tartrate, Epinephrine d-bitartrate, l-Epinephrine bitartrate, Asmatane mist (TN)

Molecular Formula:	C₁₃H₁₉NO₉	Molecular Weight:	333.291260 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	10

InChIKey: YLXIPWWIOISBDD-NDAAPVSOSA-N

• Erdosteine

IUPAC Name: 2-[2-oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]sulfanylacetic acid | CAS Registry Number: 84611-23-4
Synonyms: Vectrine, Edirel, Dithiosteine, Esteclin, Dostein, Erdotin, Mucotec, Tussol, Erdosteine [INN], Erdosteinum [Latin], Erdosteine (INN), Mucotec (TN), Zambon brand of erdosteine, Lakeside brand of erdosteine, RV 144, RV-144, C8H11NO4S2, Pharma 2000 brand of erdosteine, PV 144, Glaxo Wellcome brand of erdosteine

Molecular Formula:	C₈H₁₁NO₄S₂	Molecular Weight:	249.307240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: QGFORSXNKQLDNO-UHFFFAOYSA-N

• Estradiol

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

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

InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N

• Estradiol Benzoate

IUPAC Name: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate | CAS Registry Number: 50-50-0
Synonyms: estradiol benzoate, Benzhormovarine, Benzoestrofol, Diffollisterol, Difolliculine, Benovocylin, Benzofoline, Femestrone, Follicormon, Gynecormone, Gynformone, Hidroestron, Hormogynon, Unistradiol, Follidrin, Graafina, Solestro, De graafina, Benzo-Gynoestryl, Ovasterol-B

Molecular Formula:	C₂₅H₂₈O₃	Molecular Weight:	376.488020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UYIFTLBWAOGQBI-BZDYCCQFSA-N

• Estrone

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

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

InChIKey: DNXHEGUUPJUMQT-CBZIJGRNSA-N

• ETHYL-3-AMINOCROTONATE

IUPAC Name: ethyl (Z)-2-aminobut-2-enoate | CAS Registry Number: 3222-57-9
Synonyms: Ethyl 2-Amino Butyrate, SCHEMBL3357035, 2-amino-2-butenoic acid ethylester, AKOS006327339, ACM3222579

Molecular Formula:	C₆H₁₁NO₂	Molecular Weight:	129.159 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: KAOHYMHKNXJUFY-HYXAFXHYSA-N