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• Gemifloxacin

IUPAC Name: 7-[(4Z)-3-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid | CAS Registry Number: 175463-14-6
Synonyms: Gemifloxacin mesilate, BSPBio_002308, AIDS023462, LB 20304, LB 20304a, AIDS-023462, LB-20304, SB 265805, NCGC00178711-01, 210353-53-0 (MESILATE), 210353-55-2 (TRIHYDRATE), 210353-56-3 (SESQUIHYDRATE), LS-186992, LS-187779, SB-265805, 175463-14-6 (FREE BASE), 1,8-Naphthyridine-3-carboxylic acid, 7-(3-(aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, 7-(3-Aminomethyl-4-methoxyimino-pyrrolidine-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-(1,8)-naphthyridine-3-carboxylic acid, 1,8-Naphthyridine-3-carboxylic acid, 7-[(4Z)-3-(aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, 204519-64-2

Molecular Formula:	C₁₈H₂₀FN₅O₄	Molecular Weight:	389.380903 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: ZRCVYEYHRGVLOC-HYARGMPZSA-N

• Genistein

IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 446-72-0
Synonyms: genistein, Genisteol, Genisterin, Prunetol, Sophoricol, Genestein, Differenol A, Isoflavone, Bonistein, 4',5,7-Trihydroxyisoflavone, 5,7,4'-Trihydroxyisoflavone, Lactoferrin-genistein, nchembio.76-comp6, Spectrum_000320, Tocris-1110, 1x7r, SpecPlus_000305, Spectrum2_000638, Spectrum3_000678, Spectrum4_001543

Molecular Formula:	C₁₅H₁₀O₅	Molecular Weight:	270.236900 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: TZBJGXHYKVUXJN-UHFFFAOYSA-N

• Genistin

IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | CAS Registry Number: 529-59-9
Synonyms: Genistoside, Genistine, Genistein 7-glucoside, Genistein glucoside, Genistein-7-glucoside, Genisteol 7-monoglucoside, Genistin (8CI), Ambap535, Genistein 7-O-beta-D-glucoside, G0897_SIGMA, Genistein, 7-O-beta-D-glucoside, MEGxp0_000436, NSC 5112, 48756_FLUKA, ACon1_001495, CHEBI:27514, Genistein, 7-beta-D-glucopyranoside, Glucopyranoside, genistein-7, beta-D-, BRN 0064479, C21H20O10

Molecular Formula:	C₂₁H₂₀O₁₀	Molecular Weight:	432.377500 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	10

InChIKey: ZCOLJUOHXJRHDI-CMWLGVBASA-N

• Gestodene

IUPAC Name: (17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 60282-87-3
Synonyms: GESTODENE, Gestodenum [INN-Latin], Gestodeno [INN-Spanish], Gestodene [USAN:BAN:INN], HSDB 3594, CID43249, SH B 331, EINECS 262-145-8, BRN 4237181, 17-alpha-Ethinyl-13-ethyl-17-beta-hydroxy-4,15-gonadien-3-one, 13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregna-4,15-dien-20-yn-3-one, 18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)-, Pregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-18,19-dinor-, (17alpha)-

Molecular Formula:	C₂₁H₂₆O₂	Molecular Weight:	310.429940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: SIGSPDASOTUPFS-KQMXEUTGSA-N

• Gliclazide

IUPAC Name: 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylurea | CAS Registry Number: 21187-98-4
Synonyms: gliclazide, Glimicron, Diamicron, Nordialex, Glyclazide, Diaikron, Gliklazid, Glimicron (TN), Prestwick_869, Gliclazidum [INN-Latin], Gliclazida [INN-Spanish], Spectrum_001478, SpecPlus_000870, Gliclazide (JAN/INN), Prestwick0_000558, Prestwick1_000558, Prestwick2_000558, Prestwick3_000558, Spectrum3_001862, Spectrum4_000598

Molecular Formula:	C₁₅H₂₁N₃O₃S	Molecular Weight:	323.410540 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: BOVGTQGAOIONJV-UHFFFAOYSA-N

• Glimepiride

IUPAC Name: 4-ethyl-3-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide | CAS Registry Number: 93479-97-1
Synonyms: glimepiride, Amaryl, Glimepirid, Amarel, Glimepride, Endial, Glimepirida, Glimepiridum, Glymepirid, Avandaryl, Duetact, Glimer, Roname, Solosa, Mixture Name, Glimepiridum [Latin], Glimepirida [Spanish], Amaryl (TN), Hoe-490, Prestwick0_000651

Molecular Formula:	C₂₄H₃₄N₄O₅S	Molecular Weight:	490.615560 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: WIGIZIANZCJQQY-UHFFFAOYSA-N

• Glucosamine Sulphate KCl

IUPAC Name: (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol | CAS Registry Number: 3416-24-8
Synonyms: D-glucosamine, glucosamine, chitosamine, Chitosan, beta-D-Glucosamine, 2-amino-2-deoxyglucose, Spectrum_000831, Glucosamine hydrochloride, Spectrum2_000519, Spectrum3_000443, Spectrum4_000565, Spectrum5_000756, 2-Amino-2-deoxy-D-glucose, BSPBio_002086, KBioGR_000970, KBioSS_001311, DivK1c_000261, SPBio_000477, D-Glucose, 2-deoxy-2-Amino-, CHEBI:28393

Molecular Formula:	C₆H₁₃NO₅	Molecular Weight:	179.171120 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: MSWZFWKMSRAUBD-QZABAPFNSA-N

• Glyburide (Glibencalmide)

IUPAC Name: 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide | CAS Registry Number: 10238-21-8
Synonyms: glyburide, Glibenclamide, Glybenclamide, Micronase, Diabeta, Neogluconin, Maninil, Daonil, Praeciglucon, Bastiverit, Duraglucon, Gewaglucon, Glibenbeta, Glucohexal, Glucoremed, Hexaglucon, Lisaglucon, Normoglucon, Azuglucon, Benclamin

Molecular Formula:	C₂₃H₂₈ClN₃O₅S	Molecular Weight:	494.003520 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: ZNNLBTZKUZBEKO-UHFFFAOYSA-N

• Granisetron Base

IUPAC Name: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide | CAS Registry Number: 109889-09-0
Synonyms: granisetron, Granisetron (USAN/INN), CID5284566, C07023, D04370, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide

Molecular Formula:	C₁₈H₂₄N₄O	Molecular Weight:	312.409360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: MFWNKCLOYSRHCJ-AGUYFDCRSA-N

• Granisetron HCL

IUPAC Name: 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide hydrochloride | CAS Registry Number: 107007-99-8
Synonyms: Kytril, Kytril Injection, Granisetron HCl, Granisetron hydrochloride, Granisetron hydrochloride [USAN], BRL 43694A, C19H27NO3, NSC672814, LS-81436, 1-Methyl-N-(9-methyl-endo-9-azabicyclo(3.3.1)non-3-yl)-1H-indazole-3-carboxamide monohydrochloride, 1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo(3.3.1)non-3-yl)-, monohydrochloride, endo-, endo-1-Methyl-N-(9-methyl-9-azabicyclo(3.3.1)non-3-yl)-1H-indazole-3-carboxamide hydrochloride, 109889-09-0, 1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo(3.3.1)non-3-yl)-,monohydrochloride, endo-

Molecular Formula:	C₁₈H₂₅ClN₄O	Molecular Weight:	348.870300 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: QYZRTBKYBJRGJB-UHFFFAOYSA-N

• Griseofulvin

IUPAC Name: (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione | CAS Registry Number: 126-07-8
Synonyms: griseofulvin, Fulvicin, Amudane, Delmofulvina, Griscofulvin, Griseofulvinum, Grizeofulvin, Fulvistatin, Grisefuline, Grisofulvin, Spirofulvin, Fulvinil, Fungivin, Gresfeed, Grifulin, Grifulvin, Grisactin, Griseomix, Grisetin, Grisovin

Molecular Formula:	C₁₇H₁₇ClO₆	Molecular Weight:	352.766280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: DDUHZTYCFQRHIY-RBHXEPJQSA-N

• Haloperidol

IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one | CAS Registry Number: 52-86-8
Synonyms: haloperidol, Haldol, Aloperidol, Eukystol, Aloperidin, Aloperidolo, Galoperidol, Halopoidol, Serenelfi, Brotopon, Serenace, Halojust, Serenase, Ulcolind, Uliolind, Vesalium, Halopal, Mixidol, Linton, Pernox

Molecular Formula:	C₂₁H₂₃ClFNO₂	Molecular Weight:	375.864223 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: LNEPOXFFQSENCJ-UHFFFAOYSA-N

• Hydrangin

IUPAC Name: 7-hydroxychromen-2-one | CAS Registry Number: 93-35-6
Synonyms: Umbelliferone, 7-hydroxycoumarin, Skimmetin, 7-Oxycoumarin, Umbelliferon, Hydrangine, Skimmetine, Coumarin, 7-hydroxy-, beta-Umbelliferone, .beta.-Umbelliferone, 7-hydroxycoumarin sulfate, Spectrum2_001962, Spectrum3_000751, 2H-1-Benzopyran-2-one, 7-hydroxy-, 7 HC, 7-Hydroxy-2H-chromen-2-one, CCRIS 3591, BSPBio_002362, H24003_ALDRICH, SPECTRUM231084

Molecular Formula:	C₉H₆O₃	Molecular Weight:	162.142140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ORHBXUUXSCNDEV-UHFFFAOYSA-N

• Hydrochlorothiazide

IUPAC Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide | CAS Registry Number: 58-93-5
Synonyms: hydrochlorothiazide, Esidrix, Hypothiazide, Esidrex, Oretic, Dichlotiazid, Hidrotiazida, Hydrodiuretic, Hydrosaluric, Servithiazid, Dichlotride, Diclotride, Hypothiazid, Idrotiazide, Megadiuril, Aquarills, Disalunil, Newtolide, Thiuretic, Aquarius

Molecular Formula:	C₇H₈ClN₃O₄S₂	Molecular Weight:	297.739120 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: JZUFKLXOESDKRF-UHFFFAOYSA-N

• Hydromorphone

Synonyms: hydromorphone, Dihydromorphinone, Hydromorphon, Idromorfone, Dimorphone, Novolaudon, Laudacon, DiMo, Dilaudid Oros, Dihydromorfinon, Hydromorfona, Paramorphan, Dilaudid, Hymorphan, Laudicon, Morphinone, dihydro-, 7,8-Dihydromorphinone, Hydromorphone HCL, Hydromorfona [Spanish], Idromorfone [DCIT]

Molecular Formula:	C₁₇H₁₉NO₃	Molecular Weight:	285.337660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WVLOADHCBXTIJK-YNHQPCIGSA-N

• Hydroxybupropione

IUPAC Name: 1-(3-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one | CAS Registry Number: 92264-81-8
Synonyms: 1-(3-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one, 1-Propanone, 1-(3-chlorophenyl)-2-((2-hydroxy-1,1-dimethylethyl)amino)-, (+-)-, 1-propanone, 1-(3-chlorophenyl)-2-((2-hydroxy-1,1-dimethylethyl)amino)-,(+-)-, 82793-84-8, AC1Q5DFB, SureCN1226857, CTK3E8421, HMDB12235, BW 306U, AC1L1994, B.W.306U, BW-306-U, AR-1C5518, AG-J-41009, FT-0627142

Molecular Formula:	C₁₃H₁₈ClNO₂	Molecular Weight:	255.740520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: AKOAEVOSDHIVFX-UHFFFAOYSA-N

• Hydroxypioglitazone

IUPAC Name: 5-[[4-[2-[5-(1-hydroxyethyl)pyridin-2-yl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 146062-44-4
Synonyms: ZINC01482947, AC1N5NL9, CHEMBL1267, Hydroxy Pioglitazone (M-IV), CTK8D3795, AKOS015856344, 5-[[4-[2-[5-(1-hydroxyethyl)pyridin-2-yl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, FT-0643388, I14-41525, 2,4-Thiazolidinedione, 5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-, 5-[[4-[2-[5-(1-Hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-2,4-thiazolidinedione

Molecular Formula:	C₁₉H₂₀N₂O₄S	Molecular Weight:	372.438100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: OXVFDZYQLGRLCD-UHFFFAOYSA-N

• Hydroxyurea

IUPAC Name: hydroxyurea | CAS Registry Number: 127-07-1
Synonyms: hydroxyurea, Hydroxycarbamide, Hydrea, N-Hydroxyurea, Carbamoyl oxime, Litalir, Oxyurea, Droxia, Hydroxycarbamine, Onco-carbide, Biosupressin, Hydurea, Hidrix, Hydura, Hydroxicarbamidum, Urea, hydroxy-, Carbamyl hydroxamate, Carbamohydroxamic acid, Carbamohydroximic acid, Hydroxycarbamid

Molecular Formula:	CH₄N₂O₂	Molecular Weight:	76.054660 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: VSNHCAURESNICA-UHFFFAOYSA-N

• Ibandronic Acid

IUPAC Name: [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid | CAS Registry Number: 114084-78-5
Synonyms: Ibandronate, Bondronat, Bonviva, Boniva, Bisphosphonate 2, IBANDRONATE SODIUM, Ibandronic acid [BAN:INN], Ibandronic acid [INN:BAN], Ibandronate sodium monohydrate, AIDS257673, AIDS-257673, CID60852, RPR 102289A, RPR-102289A, DB00710, DB04635, ibandronic acid, sodium salt, monohydrate, R484, BM 210955, BM-210955

Molecular Formula:	C₉H₂₃NO₇P₂	Molecular Weight:	319.228942 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	8

InChIKey: MPBVHIBUJCELCL-UHFFFAOYSA-N

• Ibudilast

IUPAC Name: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one | CAS Registry Number: 50847-11-5
Synonyms: ibudilast, Ketas, Eyevinal, Ke Tas, Ibudilastum [Latin], Ibudilast [INN:JAN], Ketas (TN), Tocris-1694, Ibudilast (JAN/INN), Lopac-I-0157, KC-404, Lopac0_000599, MLS000862198, I0157_SIGMA, KC 404, C14H18N2O, BB_SC-5079, BRN 0656579, AV-411, MN-166

Molecular Formula:	C₁₄H₁₈N₂O	Molecular Weight:	230.305520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZJVFLBOZORBYFE-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

• Imatinib

IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CAS Registry Number: 152459-95-5
Synonyms: Glivec, Gleevec, Imatinib mesylate, 1iep, 1xbb, sti-571, nchembio.83-comp14, Imatinib [INN:BAN], Imatinib Methansulfonate, nchembio.117-comp23, STI 571, Cgp 57148, CGP 57148B, CCRIS 9076, STI571, STOCK6S-47743, CHEBI:45783, CID5291, DB00619, DB03261

Molecular Formula:	C₂₉H₃₁N₇O	Molecular Weight:	493.602740 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N

• Imipramine

IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine | CAS Registry Number: 50-49-7
Synonyms: imipramine, Dimipressin, Imidobenzyle, Melipramine, Antideprin, Berkomine, Impramine, Intalpram, Melipramin, Nelipramin, Prazepine, Dynaprin, Promiben, Censtim, Censtin, Imiprin, Timolet, Iramil, Irmin, Dpid

Molecular Formula:	C₁₉H₂₄N₂	Molecular Weight:	280.407260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: BCGWQEUPMDMJNV-UHFFFAOYSA-N

• Irbesartan

IUPAC Name: 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one | CAS Registry Number: 138402-11-6
Synonyms: irbesartan, Avapro, Aprovel, Karvea, Avalide, Irbetan, Avapro (TN), Irbesartan [USAN:INN], Spectrum_001751, BMS Brand of Irbesartan, Spectrum2_001675, Spectrum3_000994, Spectrum4_001122, Spectrum5_001288, BSPBio_002687, KBioGR_001603, KBioSS_002231, MLS000759408, MLS001424099, BMS 186295

Molecular Formula:	C₂₅H₂₈N₆O	Molecular Weight:	428.529420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: YOSHYTLCDANDAN-UHFFFAOYSA-N

• Irinotecan Free Base

Synonyms: irinotecan, Camptosar, Irinotecanum, (+)-Irinotecan, Irinotecan hydrochloride, Irinotecanum [INN-Latin], Irinotecan [INN:BAN], IRINOTECAN, CPT-11, BSPBio_002346, Bio-0054, CPT-11, HSDB 7607, 1u65, CHEBI:105985, AIDS108177, C33H38N4O6, AIDS-108177, CID60838, NSC728073, DB00762

Molecular Formula:	C₃₃H₃₈N₄O₆	Molecular Weight:	586.678020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: UWKQSNNFCGGAFS-XIFFEERXSA-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

• Isosorbide Dinitrate

IUPAC Name: [(3S,3aS,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] nitrate | CAS Registry Number: 87-33-2
Synonyms: Sorbidnitrate, Sorbide nitrate, Dinitrosorbide, Isordil, Corosorbide, Nitrosorbid, Nitrosorbide, Nitrosorbon, Claodical, Sorbangil, Sorbidilat, Sorbitrate, Vascardin, Vasodilat, Vasorbate, Carvanil, Carvasin, Cedocard, Cornilat, Difutrat

Molecular Formula:	C₆H₈N₂O₈	Molecular Weight:	236.136320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: MOYKHGMNXAOIAT-JGWLITMVSA-N

• Isotretinoin

IUPAC Name: (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid | CAS Registry Number: 4759-48-2
Synonyms: Accutane, Roaccutane, Claravis, 13-cis-Retinoic acid, Teriosal, Isotrex, Sotret, Retinoic acid, Neovitamin A acid, isotretinoino, Amnesteem, Roaccutan, Roacutan, CIP-Isotretinoin, Accutane (TN), Prestwick_642, 13-cis-Vitamin A acid, Sotret (TN), Isotretinoin (USP), Retinoic acid, cis-

Molecular Formula:	C₂₀H₂₈O₂	Molecular Weight:	300.435120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: SHGAZHPCJJPHSC-XFYACQKRSA-N

• Isradipine

IUPAC Name: 5-O-methyl 3-O-propan-2-yl 4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 75695-93-1
Synonyms: isradipine, DynaCirc, Lomir, Isradipin, Isrodipine, Esradin, Prescal, Clivoten, Dynacirc CR, Dynacrine, Rebriden, DynaCire, Icaz, (+-)-Isradipine, Isradipinum [Latin], Isradipino [Spanish], DynaCire CR, (+/-)-Isradipine, DynaCirc (TN), Spectrum_000218

Molecular Formula:	C₁₉H₂₁N₃O₅	Molecular Weight:	371.387140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: HMJIYCCIJYRONP-UHFFFAOYSA-N

• Itraconazole

IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one | CAS Registry Number: 84625-61-6
Synonyms: itraconazole, Oriconazole, Sporanox, Intraconazole, Itrizole, Itrizole (TN), Sporanox (TN), ITCZ, Itraconazol [Spanish], Itraconazolum [Latin], Itraconazole & Nyotran, Itraconazole (JAN/USAN), CHEBI:6076, Itraconazole & Bovine Lactoferrin, AIDS007334, AIDS093050, AIDS121432, AIDS-007334, AIDS-093050, AIDS-121432

Molecular Formula:	C₃₅H₃₈Cl₂N₈O₄	Molecular Weight:	705.633420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	10

InChIKey: VHVPQPYKVGDNFY-ZPGVKDDISA-N

• Ketoconazole

IUPAC Name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone | CAS Registry Number: 65277-42-1
Synonyms: ketoconazole, Fungarest, Fungoral, Ketoderm, Nizoral, Ketoconazol, Ketoisdin, Panfungol, Xolegel, Extina, Orifungal M, Nizoral a-D, (+)-Ketoconazole, Prestwick_744, Ambap5952, Tocris-1103, (2R,4S)-ketoconazole, Prestwick0_000389, Prestwick1_000389, Prestwick2_000389

Molecular Formula:	C₂₆H₂₈Cl₂N₄O₄	Molecular Weight:	531.430920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N

• Ketoprofen

IUPAC Name: 2-[3-(benzoyl)phenyl]propanoic acid | CAS Registry Number: 22071-15-4
Synonyms: ketoprofen, Orudis, Ketoprophene, Ketoprofene, Alrheumun, Capisten, Profenid, Oruvail, Epatec, Aneol, Alrheumat, Alrheumum, Actron, racemic-Ketoprofen, Ketoprofen (+-), Orudis KT, m-Benzoylhydratropic acid, Orudis (TN), Prestwick_617, 3-Benzoylhydratropic acid

Molecular Formula:	C₁₆H₁₄O₃	Molecular Weight:	254.280560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DKYWVDODHFEZIM-UHFFFAOYSA-N

• Ketorolac

IUPAC Name: 5-(benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid | CAS Registry Number: 74103-06-3
Synonyms: ketorolac, Ketoralac, Ketorolacum [Latin], Ketorolaco [Spanish], (+-)-Ketorolac, Ketorolac (old RN), Ketorolac tromethamine, (+-)-isomer, Ketorolac [INN:BAN], C15H13NO3, CID3826, RS 37619, DB00465, RS-37619, LS-139094, AB00053682, C07062, D020910, (+-)-5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid, 1H-Pyrrolizine-1-carboxylic acid, 2,3-dihydro-5-benzoyl-, (+-)-

Molecular Formula:	C₁₅H₁₃NO₃	Molecular Weight:	255.268620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: OZWKMVRBQXNZKK-UHFFFAOYSA-N

• L-Citrulline

IUPAC Name: (2S)-2-amino-5-(carbamoylamino)pentanoic acid | CAS Registry Number: 372-75-8
Synonyms: citrulline, L-citrulline, Sitrulline, L-Cytrulline, delta-Ureidonorvaline, Citrulline, L-, N5-carbamylornithine, N5-Carbamoyl-L-ornithine, N5-carbamoylornithine, N(delta)-Carbamylornithine, L-Citrulline (DCF), N5-(Aminocarbonyl)ornithine, 2-Amino-5-ureidovaleric acid, N(5)-carbamoyl-L-ornithine, 2-Amino-5-uredovaleric acid, Ornithine, N5-(aminocarbonyl)-, alpha-Amino-delta-ureidovaleric acid, C7629_SIGMA, L-Ornithine, N5-(aminocarbonyl)-, Ornithine, N5-carbamoyl-, L-

Molecular Formula:	C₆H₁₃N₃O₃	Molecular Weight:	175.185720 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: RHGKLRLOHDJJDR-BYPYZUCNSA-N

• L-Thymidine

IUPAC Name: 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 3424-98-4
Synonyms: Telbivudine, Epavudine, Telbivudin, Tyzeka, beta-L-Thymidine, L-Deoxythymidine, L-dT, Sebivo, 2'-Deoxy-L-thymidine, Telbivudine[USAN], Telbivudine [USAN], NV-02B, LDT600, NB 02B, NV 02B, LDT-600, AIDS112549, AIDS-112549, ZINC00002159, DB01265

Molecular Formula:	C₁₀H₁₄N₂O₅	Molecular Weight:	242.228560 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: IQFYYKKMVGJFEH-CSMHCCOUSA-N

• Lacidipine

IUPAC Name: diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 103890-78-4
Synonyms: Motens, Caldine, Lacipil, Lacirex, Viapres, Lacidipinum [Latin], Lacidipino [Spanish], Motens (TN), Ambap2530, Lacidipine (USAN/INN), Lacidipine [USAN:BAN:INN], MLS000759454, MLS001424282, C26H33NO6, GR-43659X, GR 43659 X, GR 43659X, SN-305, GX-1048, CPD000466342

Molecular Formula:	C₂₆H₃₃NO₆	Molecular Weight:	455.543320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: GKQPCPXONLDCMU-CCEZHUSRSA-N

• Lacosamide

IUPAC Name: (2R)-2-acetamido-3-methoxy-N-(phenylmethyl)propanamide | CAS Registry Number: 175481-36-4
Synonyms: Erlosamide, Harkoseride, Vimpat, Erlosamide [INN], Lacosamide (USAN/INN), SPM 927, SPM-927, SPM-929, ADD 234037, CID219078, ADD-234037, LS-185541, D07299, (2R)-2-(Acetylamino)-N-benzyl-3-methoxypropanamide, 2-(Acetylamino)-3-methoxy-N-(phenylmethyl)propanamide, (2R)-, Propanamide, 2-(acetylamino)-3-methoxy-N-(phenylmethyl)-, (2R)-

Molecular Formula:	C₁₃H₁₈N₂O₃	Molecular Weight:	250.293620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: VPPJLAIAVCUEMN-GFCCVEGCSA-N

• 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

• Lamotrigine

IUPAC Name: 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine | CAS Registry Number: 84057-84-1
Synonyms: lamotrigine, Lamictal, Labileno, Lamiktal, Crisomet, Lamictal Cd, Lamotriginum [Latin], Lamictal XR, Lamotrigina [Spanish], Lamictal (TN), Tocris-1611, Lopac-L-3791, Faes Brand of Lamotrigine, Juste Brand of Lamotrigine, BW-430C, C9H7Cl2N5, Desitin Brand of Lamotrigine, Lopac0_000688, MLS000069685, MLS000759486

Molecular Formula:	C₉H₇Cl₂N₅	Molecular Weight:	256.091380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: PYZRQGJRPPTADH-UHFFFAOYSA-N

• Lansoprazole

IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole | CAS Registry Number: 103577-45-3
Synonyms: lansoprazole, Prevacid, Monolitum, Bamalite, Takepron, Agopton, Ogastro, Lanzor, Opiren, Zoton, Limpidex, Prezal, Ulpax, lanzoprazole, Lanproton, Lansopep, Lanzopral, Lasoprol, Mesactol, Prosogan

Molecular Formula:	C₁₆H₁₄F₃N₃O₂S	Molecular Weight:	369.361470 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: MJIHNNLFOKEZEW-UHFFFAOYSA-N

• Lapatinib Ditosylate

IUPAC Name: benzenesulfonic acid; N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine; hydrate | CAS Registry Number: 388082-78-8
Synonyms: Tykerb, Lapatinib Ditosylate [USAN], GW572016F, CID208909, LS-186595, 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl), bis(4-methylbenzenesulfonate), monohydrate, N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine bis(4-methylbenzenesulfonate) monohydrate

Molecular Formula:	C₄₁H₄₀ClFN₄O₁₁S₃	Molecular Weight:	915.422903 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	16

InChIKey: CJCNEWWARIPAEG-UHFFFAOYSA-N

• Lenalidomide

IUPAC Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione | CAS Registry Number: 191732-72-6
Synonyms: Revlimid, Revimid, Revamid, IMiD3, Revlimid (TN), IMiD3 cpd, Lenalidomide [USAN], Lenalidomide (USAN/INN), CDC 501, CC-5013, Celgene brand of lenalidomide, Thalidomide analog CC-5013, STOCK6S-54938, CC 5013, ENMD-0997, IMID-5013, CDC-501, CDC-5013, CC5013, CID216326

Molecular Formula:	C₁₃H₁₃N₃O₃	Molecular Weight:	259.260620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: GOTYRUGSSMKFNF-UHFFFAOYSA-N

• Letrozole

IUPAC Name: 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile | CAS Registry Number: 112809-51-5
Synonyms: letrozole, Femara, Letrozol, Femera, F?mara, Femara (TN), Letrozole [USAN:INN], Prestwick0_001025, Prestwick1_001025, Prestwick2_001025, Prestwick3_001025, Novartis Brand of Letrozole, Letrozole (JAN/USP/INN), BSPBio_001209, MLS000759455, MLS001424038, SPBio_003070, CGS 20267, CGS-20267, BPBio1_001331

Molecular Formula:	C₁₇H₁₁N₅	Molecular Weight:	285.302740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: HPJKCIUCZWXJDR-UHFFFAOYSA-N

• Levalbuterol

IUPAC Name: 4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol | CAS Registry Number: 34391-04-3
Synonyms: Levosalbutamol, R-Salbutamol, R-Albuterol, (-)-Salbutamol, (-)-Albuterol, (R)-salbutamol, (R)-albuterol, nchembio790-comp3, Tocris-0634, Lopac-S-5013, Lopac-S-8260, CHEBI:8746, NCGC00015955-01, NCGC00015955-02, NCGC00016736-01, NCGC00024698-01, LS-29860, CAS-18559-94-9, LS-187796, C11770

Molecular Formula:	C₁₃H₂₁NO₃	Molecular Weight:	239.310740 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: NDAUXUAQIAJITI-LBPRGKRZSA-N

• Levetiracetam

IUPAC Name: (2S)-2-(2-oxopyrrolidin-1-yl)butanamide | CAS Registry Number: 102767-28-2
Synonyms: Keppra, Etiracetam, Torleva, Keppra XR, etiracetam, S-isomer, Levetiracetam [INN], Etiracetam levo-isomer, ucb L060, SIB-S1, Levetiracetamum [INN-Latin], MLS000759403, MLS001424069, UCB-L059, C8H14N2O2, UCB-L 059, CID5284583, CPD000466303, SAM001246539, SMR000466303, (2S)-2-(2-oxopyrrolidin-1-yl)butanamide

Molecular Formula:	C₈H₁₄N₂O₂	Molecular Weight:	170.208960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HPHUVLMMVZITSG-LURJTMIESA-N

• Levmethamphetamine Base

IUPAC Name: (2R)-N-methyl-1-phenylpropan-2-amine | CAS Registry Number: 33817-09-3
Synonyms: Levmetamfetamine, L-Methamphetamine, l-Methylamphetamine, (-)-Methamphetamine, Vicks Inhaler, d-Methamphetamine, R(-)-N-Methylamphetamine, (R)-Deoxyephedrine, (-)-Deoxyephedrine, (R)-Methylamphetamine, l-(-)-Methamphetamine, 1-METHAMPHETAMINE, (R)-N-Methylamphetamine, (-)-N-Methylamphetamine, 2R-(-)-Methamphetamine, (R)-(-)-Deoxyephedrine, Levmetamfetamine [USAN:INN], l-1-Phenyl-2-methylaminopropane, (R)-(-)-Methamphetamine, Levmetamfetamine (USP/INN)

Molecular Formula:	C₁₀H₁₅N	Molecular Weight:	149.232800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: MYWUZJCMWCOHBA-SECBINFHSA-N

• Levocetirizine

IUPAC Name: 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid | CAS Registry Number: 130018-77-8
Synonyms: Xusal, Xyzal, cetirizine, Xazal, (-)-Cetirizine, Xazal (TN), Levocetirizine (INN), Levocetirizine [INN], Levocetirizine [INN:BAN], MLS000759420, MLS001401375, PDSP1_000117, PDSP1_000269, PDSP2_000117, PDSP2_000268, CID1549000, CPD000466315, LS-11410, SAM001246575, SMR000466315

Molecular Formula:	C₂₁H₂₅ClN₂O₃	Molecular Weight:	388.887800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: ZKLPARSLTMPFCP-OAQYLSRUSA-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

• Levomepromazine

IUPAC Name: (2R)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine | CAS Registry Number: 60-99-1
Synonyms: METHOTRIMEPRAZINE, Levoprome, 2-Methoxytrimeprazine, LEVOPROME (TN), Methotrimeprazine (USP), Prestwick0_000797, Prestwick1_000797, Prestwick2_000797, Prestwick3_000797, Levomepromazine (USAN/INN), BSPBio_000934, SPBio_002873, BPBio1_001028, CHEBI:6838, AIDS001615, AIDS-001615, NSC226516 (FREE BASE), 60-99-1 (FREE BASE), DB01403, NCGC00179370-01

Molecular Formula:	C₁₉H₂₄N₂OS	Molecular Weight:	328.471660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: VRQVVMDWGGWHTJ-CQSZACIVSA-N

• Levonorgestrel

IUPAC Name: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 797-63-7
Synonyms: norgestrel, Mirena, Microval, Ovrette, D-Norgestrel, Follistrel, Microlution, Capronor, Levonova, Microgyn, Microlut, Nordette, Ovranette, Postinor, Triagynon, Triciclor, Triphasil, Jadelle, Monovar, Neogest

Molecular Formula:	C₂₁H₂₈O₂	Molecular Weight:	312.445820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WWYNJERNGUHSAO-XUDSTZEESA-N