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• Amifostine trihydrate

IUPAC Name: 2-(3-aminopropylamino)ethylsulfanylphosphonic acid trihydrate | CAS Registry Number: 112901-68-5
Synonyms: amifostine, Ethyol, Amifostine hydrate, Anifostine trihydrate, Amifostine (USP), ETHYOL (TN), Amifostine [USAN:INN:BAN], C5H15N2O3PS.3H2O, NSC 296961, LS-172202, D00226, Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihydrate, S-(2-((3-Aminopropyl)amino)ethyl) dihydrogen phosphorothioate, trihydrate

Molecular Formula:	C₅H₂₁N₂O₆PS	Molecular Weight:	268.268801 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	8

InChIKey: TXQPXJKRNHJWAX-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

• Anise alcohol

IUPAC Name: (4-methoxyphenyl)methanol | CAS Registry Number: 105-13-5
Synonyms: Anisyl alcohol, p-Anisyl alcohol, Anisic alcohol, p-Anisol alcohol, Anisalcohol, p-, Anis alcohol, JandaJel-Wang, Benzenemethanol, 4-methoxy-, p-Methoxybenzyl alcohol, Benzyl alcohol, p-methoxy-, 4-Methoxybenzenemethanol, 4-METHOXYBENZYL ALCOHOL, Anisyl alcohol (natural), (4-Methoxyphenyl)methanol, FEMA No. 2099, CCRIS 5111, WLN: Q1R DO1, W209902_ALDRICH, W209910_ALDRICH, 136905_ALDRICH

Molecular Formula:	C₈H₁₀O₂	Molecular Weight:	138.163800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: MSHFRERJPWKJFX-UHFFFAOYSA-N

• Atorvastatin hemicalcium salt

IUPAC Name: calcium (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate | CAS Registry Number: 134523-03-8
Synonyms: Lipitor, atorvastatin, Prevencor, Lipibec, Torvast, Caduet, Sortis, Tahor, Mixture Name, ATORVASTATIN CALCIUM, Lipitor (TN), Atorvastatin calcium salt, Atorvastatin calcium [USAN], Atorvastatin calcium (USAN), 2C33H34FN2O5.Ca, CI-981, DRG-0321, CHEBI:50686, BB_SC-4721, YM-548

Molecular Formula:	C₆₆H₆₈CaF₂N₄O₁₀	Molecular Weight:	1155.341726 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	14

InChIKey: FQCKMBLVYCEXJB-MNSAWQCASA-L

• Azacyclonol

IUPAC Name: di(phenyl)-piperidin-4-ylmethanol | CAS Registry Number: 115-46-8
Synonyms: Frenquel, gamma-Pipradol, Prestwick_84, Azaciclonolo [DCIT], Azacyclonolum [INN-Latin], Azacyclonol [INN:BAN], Maybridge3_001033, Prestwick0_000093, Prestwick1_000093, Prestwick2_000093, Prestwick3_000093, alpha-(4-Piperidyl)benzhydrol, MER 17, Oprea1_114075, Oprea1_848733, BSPBio_000046, Diphenyl-piperidin-4-yl-methanol, MLS000558844, MLS001201777, SPBio_001985

Molecular Formula:	C₁₈H₂₁NO	Molecular Weight:	267.365440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: ZMISODWVFHHWNR-UHFFFAOYSA-N

• Azelnidipine

IUPAC Name: 3-O-[1-[di(phenyl)methyl]azetidin-3-yl] 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 123524-52-7
Synonyms: Calblock, Azelnidipine [INN], Calblock (TN), Azelnidipine (JAN/INN), CS 905, CS-905, C33H34N4O6, CID65948, RS-9054, NCGC00167436-01, LS-131184, D01145, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl) 5-(1-methylethyl) ester, (+-)-, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl)-5-(1-methylethyl) esster, (+-)-, 3,5-Pyridinedicarboxylic acid, 2-amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl) 5-(1-methylethyl) ester, (+-)-, 3-(1-(Diphenylmethyl)-3-azetidinyl) 5-isopropyl (+-)-2-amino-1,4-dihydro-6-methyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate, 3-[1-(diphenylmethyl)azetidin-3-yl] 5-(1-methylethyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-,3-(1-(diphenylmethyl)-3-azetidinyl)-5-(1-methylethyl) esster, (+-)-, 3-(1-diphenylmethylazetidin-3-yl)-5-isopropyl-2-amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Molecular Formula:	C₃₃H₃₄N₄O₆	Molecular Weight:	582.646260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: ZKFQEACEUNWPMT-UHFFFAOYSA-N

• Benzhydryl bromide

IUPAC Name: [bromo(phenyl)methyl]benzene | CAS Registry Number: 776-74-9
Synonyms: Bromodiphenylmethane, Diphenylbromomethane, Methane, bromodiphenyl-, Diphenylmethyl bromide, WLN: EYR&R, .alpha.-Bromodiphenylmethane, B65403_ALDRICH, Diphenylmethyl bromide, solid, WLN: EYR&R -SOLUTION, Diphenylmethyl bromide solution, Benzene, 1,1'-(bromomethylene)bis-, 16955_FLUKA, Methane, bromodiphenyl- (solution), NSC39226, TL8005328, InChI=1/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13

Molecular Formula:	C₁₃H₁₁Br	Molecular Weight:	247.130440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: OQROAIRCEOBYJA-UHFFFAOYSA-N

• Benzophenone Hydrazone

IUPAC Name: di(phenyl)methylidenehydrazine | CAS Registry Number: 5350-57-2
Synonyms: Benzophenone hydrazone, Benzophenonehydrazone, Diphenylmethanone hydrazone, Benzophenone, hydrazone, Diphenyl ketone hydrazone, Methanone, diphenyl-, hydrazone, B9602_ALDRICH, NSC 43, NSC43, Diphenyldiazomethane precursor, CBDivE_000311, MLS001181010, EINECS 226-321-8, SBB007642, ZINC00270781, Benzophenone, hydrazone (6CI,7CI,8CI), AI3-52536, LS-91250, SMR000475984, AE-848/30735021

Molecular Formula:	C₁₃H₁₂N₂	Molecular Weight:	196.247780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: QYCSNMDOZNUZIT-UHFFFAOYSA-N

• Benzoyl Peroxide

IUPAC Name: benzoyl benzenecarboperoxoate | CAS Registry Number: 94-36-0
Synonyms: BENZOYL PEROXIDE, Panoxyl, Peroxide, dibenzoyl, Benzoperoxide, Theraderm, Acetoxyl, Asidopan, Dibenzoyl peroxide, Persadox, Benoxyl, Lucidol, Mytolac, Oxylite, Benzac, Eloxyl, Benzol peroxide, Benzoyl superoxide, Resdan Akne, Epi-Clear, Persa-Gel

Molecular Formula:	C₁₄H₁₀O₄	Molecular Weight:	242.226800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: OMPJBNCRMGITSC-UHFFFAOYSA-N

• Bis(Trimethylsilyl) Acetamide(BSA)

IUPAC Name: trimethylsilyl N-trimethylsilylethanimidate | CAS Registry Number: 10416-59-8
Synonyms: BSA?, N,O-Bis(trimethylsilyl)acetamide, 128910_ALDRICH, 367451_ALDRICH, 394831_ALDRICH, 15256_FLUKA, 15269_FLUKA, EINECS 233-892-7, BRN 1306669, Trimethylsilyl N-trimethylsilylacetamidate, LS-13027, Ethanimidic acid, N-(trimethylsilyl)-, trimethylsilyl ester, ACETIMIDIC ACID, N-(TRIMETHYLSILYL)-, TRIMETHYLSILYL ESTER, N-(Trimethylsilyl)acetimidic acid, trimethylsilyl ester, BSA

Molecular Formula:	C₈H₂₁NOSi₂	Molecular Weight:	203.429440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SIOVKLKJSOKLIF-CMDGGOBGSA-N

• Bis(trimethylsilyl)trifluoroacetamide

IUPAC Name: 2,2,2-trifluoro-N,N-bis(trimethylsilyl)acetamide | CAS Registry Number: 21149-38-2
Synonyms: EINECS 244-242-7, Acetamide, 2,2,2-trifluoro-N,N-bis(trimethylsilyl)-, N,N-Bis(trimethylsilyl)-2,2,2-trifluoroacetamide, Trimethylsilyl N-trimethylsilyltrifluoroacetimidate

Molecular Formula:	C₈H₁₈F₃NOSi₂	Molecular Weight:	257.400830 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: RZYHXKLKJRGJGP-UHFFFAOYSA-N

• Borane-Dimethylamine Complex

IUPAC Name: dimethylaminoboron | CAS Registry Number: 74-94-2
Synonyms: (Dimethylamino)borane, Dimethylamine borane, DMAB, Borane-dimethylamine complex, WLN: 1M1 &BHHH, NSC53321, EINECS 217-411-8, CID6328722, Dimethylamine compound with borane (1:1), Borane, compd. with dimethylamine (1:1), DIMETHYLAMINE, compd. with BORANE (1:1), Boron, trihydro(N-methylmethanamine)-, (T-4)-, 1838-13-7

Molecular Formula:	C₂H₆BN	Molecular Weight:	54.886740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: YPTUAQWMBNZZRN-UHFFFAOYSA-N

• Borane-Morpholine Complex

IUPAC Name: morpholin-4-ylboron | CAS Registry Number: 4856-95-5
Synonyms: Morpholineborane, Morpholine borohydride, Borane-morpholine complex, Borane, compd. with morpholine, NSC93813, Morpholine, compd. with borane (1:1), Boron, trihydro(morpholine-N4)-, (T-4)-

Molecular Formula:	C₄H₈BNO	Molecular Weight:	96.923420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: WHVTVPUNFIVIDH-UHFFFAOYSA-N

• BroMhexine IMpurity B

IUPAC Name: 2-amino-3,5-dibromobenzaldehyde | CAS Registry Number: 50910-55-9
Synonyms: 2-Amino-3,5-dibromobenzaldehyde, 463469_ALDRICH, 2-amino-3,5-dibromo-benzaldehyde, EINECS 256-841-0, ZINC00057067, ST5307760, TL8003379, InChI=1/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H

Molecular Formula:	C₇H₅Br₂NO	Molecular Weight:	278.928700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: RCPAZWISSAVDEA-UHFFFAOYSA-N

• Bromoacetaldehyde Diethyl Acetal

IUPAC Name: 2-bromo-1,1-diethoxyethane | CAS Registry Number: 2032-35-1
Synonyms: Bromoacetal, Bromacetal, Diethyl bromoacetal, 2-Bromo-1,1-diethoxyethane, 2,2-Diethoxyethyl bromide, Bromoacetaldehyde diethyl acetal, Ethane, 2-bromo-1,1-diethoxy-, 1,1-Diethoxy-2-bromoethane, 1-Bromo-2,2-diethoxyethane, Diethyl bromoacetaldehyde acetal, Acetaldehyde, bromo-, diethyl acetal, 2-Bromoacetaldehyde diethyl acetal, 123986_ALDRICH, NSC8036, NSC 8036, EINECS 217-989-1, ZINC00164403, BROMACETALDEHYDE DIETHYL ACETAL, .alpha.-Bromoacetaldehyde diethyl acetal, SB 00588

Molecular Formula:	C₆H₁₃BrO₂	Molecular Weight:	197.070220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: LILXDMFJXYAKMK-UHFFFAOYSA-N

• Bromotrimethylsilane

IUPAC Name: bromo(trimethyl)silane | CAS Registry Number: 2857-97-8
Synonyms: Trimethylbromosilane, Trimethylsilyl bromide, Trimethylsilicon bromide, Silane, bromotrimethyl-, TMBS, 194409_ALDRICH, CID76113, EINECS 220-672-0, NSC139857, NSC 139857, TL8002083

Molecular Formula:	C₃H₉BrSi	Molecular Weight:	153.093060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: IYYIVELXUANFED-UHFFFAOYSA-N

• Budesonide

Synonyms: budesonide, Entocort, Preferid, Pulmicort, Rhinocort, Rhinocort Aqua, Budenofalk, Inflammide, Cortivent, Horacort, Micronyl, Miflonide, Pulmaxan, Respules, Spirocort, Budeson, Budiair, Bidien, Rhinocort alpha, Giona Easyhaler

Molecular Formula:	C₂₅H₃₄O₆	Molecular Weight:	430.533860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: VOVIALXJUBGFJZ-KWVAZRHASA-N

• Candesartan Cilexetil

IUPAC Name: 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate | CAS Registry Number: 145040-37-5
Synonyms: Atacand, Candesartan cilexetil, Blopress, Parapres, Kenzen, Amias, Ratacand, Candesartan hexetil, Atacand (TN), Candesartan celexetil, ATACAND HCT, Blopress 16 mg Plus, Spectrum_001707, Spectrum2_000485, Spectrum3_000996, Spectrum4_001124, Spectrum5_001462, TCV-116, Candesartan cilexetil [USAN], TCV 116

Molecular Formula:	C₃₃H₃₄N₆O₆	Molecular Weight:	610.659660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	12

InChIKey: GHOSNRCGJFBJIB-UHFFFAOYSA-N

• Captopril

IUPAC Name: (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 62571-86-2
Synonyms: captopril, Captopryl, Capoten, L-Captopril, Cesplon, Acepress, Alopresin, Capozide, Captolane, Captoril, Garranil, Hypertil, Tenosbon, Tensoprel, Acediur, Aceplus, Acepril, Dilabar, Lopril, Isopresol

Molecular Formula:	C₉H₁₅NO₃S	Molecular Weight:	217.285300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FAKRSMQSSFJEIM-RQJHMYQMSA-N

• Carbonyl Diimidazole

IUPAC Name: di(imidazol-1-yl)methanone | CAS Registry Number: 530-62-1
Synonyms: Carbonyldiimidazole, Carbonyl diimidazole, N,N'-Carbonyldiimidazole, N,N-Carbonyldiimidazole, Diimidazol-1-yl ketone, 1,1'-Carbonyldiimidazole, N,N?Carbonyldiimidazole, N,N'-Carbonylbis(imidazole), 1-Oxomethylenebis(N-imidazole), 1H-Imidazole, 1,1'-carbonylbis-, Imidazole, 1,1'-carbonyldi-, CCRIS 2606, NCIOpen2_000076, 1,1'-Carbonylbis-1H-imidazole, 1,1'-carbonylbis(1H-imidazole), 115533_ALDRICH, 09943_FLUKA, 21860_FLUKA, EINECS 208-488-9, NSC 67203

Molecular Formula:	C₇H₆N₄O	Molecular Weight:	162.148740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: PFKFTWBEEFSNDU-UHFFFAOYSA-N

• Chlormadinone acetate

IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate | CAS Registry Number: 302-22-7
Synonyms: Gestafortin, Menstridyl, Matrol, chlormadinone acetate, Chlormadinone, Bovisynchron, Fertiletten, Chlordion, Lutestral, Clordion, Minipill, Normenon, Luteran, Lutinyl, Skedule, Traslan, Lormin, Verton, Retex, Cero

Molecular Formula:	C₂₃H₂₉ClO₄	Molecular Weight:	404.926960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: QMBJSIBWORFWQT-DFXBJWIESA-N

• Chloro Propyl Trimethoxy Silane

IUPAC Name: 3-chloropropyl(trimethoxy)silane | CAS Registry Number: 2530-87-2
Synonyms: (3-Chloropropyl)trimethoxysilane, Sila-Ace S 620, CPS-M, Silane, (3-chloropropyl)trimethoxy-, 3-Chloropropyltrimethyoxysilane, 3-Chloropropyltrimethoxysilane, NCIOpen2_001219, Trimethoxy(3-chloropropyl)silane, Dow Corning product Z-6076, KBM 703, 3-(Trimethoxysilyl)propyl chloride, 440183_ALDRICH, (gamma-Chloropropyl)trimethoxysilane, Silane (3-chloropropyl)tris(methoxy)-, EINECS 219-787-9, gamma-Chloropropyltrimethoxysilane, NSC 83878, (3-chloropropyl)(trimethoxy)silane, .delta.-Chloropropyltrimethoxysilane, .gamma.-Chloropropyltrimethoxysilane

Molecular Formula:	C₆H₁₅ClO₃Si	Molecular Weight:	198.720000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: OXYZDRAJMHGSMW-UHFFFAOYSA-N

• Chlorpropyl Methyldimethoxy Silane

IUPAC Name: 3-chloropropyl-dimethoxy-methylsilane | CAS Registry Number: 18171-19-2
Synonyms: EINECS 242-056-0, (3-Chloropropyl)dimethoxymethylsilane, (3-Chloropropyl)methyldimethoxysilane, Silane, (3-chloropropyl)dimethoxymethyl-

Molecular Formula:	C₆H₁₅ClO₂Si	Molecular Weight:	182.720600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: KNTKCYKJRSMRMZ-UHFFFAOYSA-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

• Ciprofloxacin EP IMpurity A

IUPAC Name: 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid | CAS Registry Number: 86393-33-1
Synonyms: Q-Acid, Fluoroquinolonic acid, Fluorchinoloncarbonsaure, Oprea1_261968, 531901_ALDRICH, SBB003016, EE4050500, LS-141562, 7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 1,4-dihydro-7-chloro-1-cyclopropyl-6-fluoro-4-oxo-, 7-Chloor-1-cyclopropyl-6-fluor-1,4-dihydro-4-oxochinoline-3-carbonzuur [Dutch], 7-Chlor-1-cyclopropyl-6-fluor-1,4-dihydro-4-oxochinolin-3-carbonsaure [German], 7-Chlor-1-cyclopropyl-6-fluor-1,4-dihydro-4-oxoquinolin-3-carboxylsyre [Danish], 7-Chloro 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid, 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid, Acide 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoleine-3-carboxylique [French], Acido 7-cloro-1-ciclopropil-6-fluoro-1,4-dihidro-4-oxoquinolina-3-carboxilico [Portuguese], Acido 7-cloro-1-ciclopropil-6-fluoro-1,4-dihidro-4-oxoquinolina-3-carboxilico [Spanish], Acido 7-cloro-1-ciclopropil-6-fluoro-1,4-diidro-4-ossochinolin-3-carbossilico [Italian]

Molecular Formula:	C₁₃H₉ClFNO₃	Molecular Weight:	281.666863 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: ISPVACVJFUIDPD-UHFFFAOYSA-N

• Cyclic somatostatin

Synonyms: SOMATOSTATIN, AIDS059774, AIDS-059774

Molecular Formula:	C₆₇H₉₅N₁₇O₁₈S₂	Molecular Weight:	1490.704300 [g/mol]
H-Bond Donor:	21	H-Bond Acceptor:	22

InChIKey: IVXKQLNIZABQDV-DOBXHNDVSA-N

• Cyclopropylamine

IUPAC Name: cyclopropanamine | CAS Registry Number: 765-30-0
Synonyms: Cyclopropanamine, Aminocyclopropane, 125504_ALDRICH, 29940_FLUKA, EINECS 212-142-2, NSC 56127, CID69828, NSC56127, c0921, LS-58506, ST5213752, TL8005233, C14150, InChI=1/C3H7N/c4-3-1-2-3/h3H,1-2,4H

Molecular Formula:	C₃H₇N	Molecular Weight:	57.094380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: HTJDQJBWANPRPF-UHFFFAOYSA-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

• D-(+)-Malic acid

IUPAC Name: (2R)-2-hydroxybutanedioic acid | CAS Registry Number: 636-61-3
Synonyms: D-malic acid, malic acid, D-malate, Malic acid, D-, L(+)-Malic acid, (R)-malic acid, (R)-malate, D-()-Malic acid, Malic acid, L(+)-, (+)-D-malic acid, D-(+)-malic acid, Malic acid D-(+)-form, nchembio.145-comp29, D-Hydroxybutanedioic acid, 2-HYDROXY-SUCCINIC ACID, 46940U_SUPELCO, butanedioic acid, 2-hydroxy-, MLS000069520, (2R)-2-hydroxybutanedioic acid, 02300_FLUKA

Molecular Formula:	C₄H₆O₅	Molecular Weight:	134.087440 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: BJEPYKJPYRNKOW-UWTATZPHSA-N

• D-(-)-Mandelic acid

IUPAC Name: (2R)-2-hydroxy-2-phenylacetic acid | CAS Registry Number: 611-71-2
Synonyms: (r)-mandelic acid, D-Mandelic acid, (R)-Mandelate, 1mcz, (-)-Mandelic acid, (R)-Mandelsaeure, D(-)-Mandelic acid, Mandelic acid, D-, Mandelic acid, L-, D-2-Phenylglycolic acid, R(-)-Mandelic Acid, R-MANDELIC ACID, (-)-(R)-Mandelic acid, Maybridge1_004148, (R)-(-)-Mandelic acid, M2209_ALDRICH, (R)-alpha-Hydroxyphenylacetic acid, Oprea1_502663, (R)-2-Hydroxy-2-phenylacetate, (R)-2-Hydroxy-2-phenylacetic acid

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IWYDHOAUDWTVEP-SSDOTTSWSA-N

• D-(-)-Tartaric acid

IUPAC Name: (2S,3S)-2,3-dihydroxybutanedioic acid | CAS Registry Number: 147-71-7
Synonyms: d-Tartaric acid, D-threaric acid, Linksweinsaeure, D-Tartrate, 1rpa, DL-Tartaric acid, (-)-Tartaric acid, (-)-Weinsaeure, (S,S)-Tartrate, (S,S)-Tartaric acid, (-)-D-Tartaric acid, (2S,3S)-Tartaric acid, D-( )-Tartaric acid, D(-)-TARTARIC ACID, T206_ALDRICH, T400_ALDRICH, NCIStruc1_000172, NCIStruc2_000222, MLS001076664, (-)-(S,S)-Tartaric acid

Molecular Formula:	C₄H₆O₆	Molecular Weight:	150.086840 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: FEWJPZIEWOKRBE-LWMBPPNESA-N

• D-Homophenylalanine

IUPAC Name: (2R)-2-azaniumyl-4-phenylbutanoate | CAS Registry Number: 82795-51-5
Synonyms: ZINC00388738, CID6950301

Molecular Formula:	C₁₀H₁₃NO₂	Molecular Weight:	179.215720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: JTTHKOPSMAVJFE-SECBINFHSA-N

• D-Tartaric Acid Dimethyl Ester

IUPAC Name: dimethyl (2S,3S)-2,3-dihydroxybutanedioate | CAS Registry Number: 13171-64-7
Synonyms: Dimethyl d-tartrate, 242942_ALDRICH, DIMETHYL TARTRATE (MESO), Dimethyl (S(R*,R*))-tartrate, meso-tartaric acid, dimethyl ester, (−)-Dimethyl D-tartrate, EINECS 236-118-6, ZINC01555575, D-(−)-Tartaric acid dimethyl ester, 5057-96-5, 608-68-4, InChI=1/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m0/s

Molecular Formula:	C₆H₁₀O₆	Molecular Weight:	178.140000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: PVRATXCXJDHJJN-IMJSIDKUSA-N

• D-Valinol

IUPAC Name: (2R)-2-amino-3-methylbutan-1-ol | CAS Registry Number: 4276-09-9
Synonyms: 284483_ALDRICH, ARK006, (R)-(−)-2-Amino-3-methyl-1-butanol

Molecular Formula:	C₅H₁₃NO	Molecular Weight:	103.162820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: NWYYWIJOWOLJNR-YFKPBYRVSA-N

• Dapsone

IUPAC Name: 4-(4-aminophenyl)sulfonylaniline | CAS Registry Number: 80-08-0
Synonyms: dapsone, Diaphenylsulfone, Disulone, Dapson, Diaphenylsulfon, Avlosulfone, Diphenasone, Sulfadione, Sulfona, Aczone, Udolac, Metabolite C, Sulfonyldianiline, Croysulfone, Sulphadione, Acedapsone, Avlosulfon, Novophone, Dapsonum, Dumitone

Molecular Formula:	C₁₂H₁₂N₂O₂S	Molecular Weight:	248.300880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: MQJKPEGWNLWLTK-UHFFFAOYSA-N

• Di (2-Ethyl Hexyl) Phosphoric Acid

IUPAC Name: bis(2-ethylhexyl) hydrogen phosphate | CAS Registry Number: 298-07-7
Synonyms: Hdehp, Dehpa extractant, Escaid 100, 'Dioctyl' phosphate, Di(2-ethylhexyl) phosphate, D 2EHPA, Di(2-ethylhexyl)phosphate, Bis(2-ethylhexyl)phosphate, di(2-Ethylhexyl)phosphoric acid, Bis(2-ethylhexyl)hydrogen phosphate, HSDB 341, Bis(2-ethylhexyl) hydrogen phosphate, Di-2(ethylhexyl)phosphoric acid, BIS(2-ETHYLHEXYL) PHOSPHATE, Bis(2-ethylhexyl)phosphoric acid, Di(2-ethylhexyl) phosphoric acid, Bis(2-ethylhexyl) phosphoric acid, Di-(2-ethylhexyl) acid phosphate, 237825_ALDRICH, Di-2-ethylhexyl hydrogen phosphate

Molecular Formula:	C₁₆H₃₅O₄P	Molecular Weight:	322.420461 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: SEGLCEQVOFDUPX-UHFFFAOYSA-N

• Diallyl Amine

IUPAC Name: N-prop-2-enylprop-2-en-1-amine | CAS Registry Number: 124-02-7
Synonyms: Diallylamine, Di-2-propenylamine, Amine, diallyl-, N,N-Diallylamine, 2-Propen-1-amine, N-2-propenyl-, N-allylprop-2-en-1-amine, CCRIS 4776, D9603_ALDRICH, HSDB 5471, WLN: 1U2M2U1, EINECS 204-671-2, NSC 20948, UN2359, CID31279, NSC20948, BRN 0773718, N-2-PROPENYL-2-PROPEN-1-AMINE, LS-689, AI3-15324, Diallylamine [UN2359] [Flammable liquid]

Molecular Formula:	C₆H₁₁N	Molecular Weight:	97.158240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: DYUWTXWIYMHBQS-UHFFFAOYSA-N

• Dibenzoylmethane

IUPAC Name: 1,3-di(phenyl)propane-1,3-dione | CAS Registry Number: 120-46-7
Synonyms: Rhodiastab 83, Karenzu DK2, 2-Benzoylacetophenone, Dibenzoyl-methane, Phenyl phenacyl ketone, omega-Benzoylacetophenone, 1,3-Propanedione, 1,3-diphenyl-, Spectrum2_000038, Spectrum3_001950, .omega.-Benzoylacetophenone, 1,3-DIPHENYL-1,3-PROPANEDIONE, 1,3-Diphenylpropane-1,3-dione, BSPBio_003550, D33454_ALDRICH, SPECTRUM1505311, SPBio_000135, NSC 6266, EINECS 204-398-9, KBio3_002841, CID8433

Molecular Formula:	C₁₅H₁₂O₂	Molecular Weight:	224.254580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NZZIMKJIVMHWJC-UHFFFAOYSA-N

• Diborane

IUPAC Name: boranylidyneborane | CAS Registry Number: 19287-45-7
Synonyms: Boroethane, Boron hydride, diboron, diboryne, Diboron hexahydride, DIBORANE, Diborane(6), BORON, CCRIS 4780, HSDB 520, 463051_ALDRICH, CHEBI:51707, EINECS 242-940-6, UN1911, UN 1911, LS-967, Diborane, compressed [UN1911] [Poison gas], Diborane, compressed [UN1911] [Poison gas], 1304-00-3, 133441-46-0

Molecular Formula:	B₂	Molecular Weight:	21.622000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: ZOCHARZZJNPSEU-UHFFFAOYSA-N

• Dichloroacetonitrile

IUPAC Name: 2,2-dichloroacetonitrile | CAS Registry Number: 3018-12-0
Synonyms: DICHLOROACETONITRILE, Acetonitrile, dichloro-, Dichloromethyl cyanide, CCRIS 942, HSDB 6861, 125954_ALDRICH, 442560_SUPELCO, 36085_FLUKA, EINECS 221-159-4, NSC 60511, CID18177, NSC60511, BRN 1739029, ZINC04283780, LS-1152, NCGC00091123-01, InChI=1/C2HCl2N/c3-2(4)1-5/h2, 4-02-00-00506 (Beilstein Handbook Reference)

Molecular Formula:	C₂HCl₂N	Molecular Weight:	109.942040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: STZZWJCGRKXEFF-UHFFFAOYSA-N

• Dimethyl-L-Tartrate

IUPAC Name: dimethyl (2R,3R)-2,3-dihydroxybutanedioate | CAS Registry Number: 608-68-4
Synonyms: ()-Dimethyl L-tartrate, L-DIMETHYL TARTRATE, 163457_ALDRICH, 95365_FLUKA, Dimethyl (R(R*,R*))-tartrate, BB_NC-0150, L-()-Tartaric acid dimethyl ester, EINECS 210-166-8, ZINC01555576, Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, dimethyl ester, 117356-23-7, 72718-98-0, 89599-43-9

Molecular Formula:	C₆H₁₀O₆	Molecular Weight:	178.140000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: PVRATXCXJDHJJN-QWWZWVQMSA-N

• Diphenyl Phosphorochloridate

IUPAC Name: [chloro(phenoxy)phosphoryl]oxybenzene | CAS Registry Number: 2524-64-3
Synonyms: Diphenyl chlorophosphate, DPPC, Diphenylphosphoryl chloride, Diphenyl phosphorochloridate, Diphenyl phosphochloridate, O,O-Diphenyl chlorophosphate, Chlorodiphenoxyphosphine oxide, Diphenoxychlorophosphine oxide, Diphenylphosphorylchloridate, Diphenyl phosphoryl chloride, D206555_ALDRICH, 344249_ALDRICH, Diphenylphosphoric acid monochloride, Phosphoric acid chloride diphenyl ester, Phosphorochloridic acid, diphenyl ester, NSC43771, EINECS 219-759-6, NSC 43771, Phenyl phosphorochloridate ((PhO)2ClPO), AI3-52364

Molecular Formula:	C₁₂H₁₀ClO₃P	Molecular Weight:	268.632761 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: BHIIGRBMZRSDRI-UHFFFAOYSA-N

• Docetaxel

Synonyms: docetaxel, Taxotere, Docetaxol, Docetaxel anhydrous, nchembio853-comp8, Docetaxel, Trihydrate, nchembio.2007.34-comp7, 01885_FLUKA, XRP-6976L, ANX-514, SDP-014, DB01248, NSC-628503, RP-56976, SL-00678, C11231, TXL, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate

Molecular Formula:	C₄₃H₅₃NO₁₄	Molecular Weight:	807.879220 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	14

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

• Doxifluridine

IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione | CAS Registry Number: 3094-09-5
Synonyms: doxifluridine, Furtulon, Flutron, doxyfluridine, 5'-Doxifluridine, 5'-Deoxy-5-fluorouridine, Furtulon (TN), 5-Fluorodeoxyuridine, 5'-Dfur, 5'dFUrd, 5-fluoro-5'-deoxyuridine, Doxifluridine [INN:JAN], Doxifluridinum [INN-Latin], Doxifluridina [INN-Spanish], 5'FDUR, 5-DFUR, Uridine-5'-deoxy-5-fluoro-, 5'-fluoro-5'-deoxyuridine, Doxifluridine (JP15/INN), Uridine, 5'-deoxy-5-fluoro-

Molecular Formula:	C₉H₁₁FN₂O₅	Molecular Weight:	246.192443 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: ZWAOHEXOSAUJHY-ZIYNGMLESA-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

• Eplerenone

Synonyms: Epoxymexrenone, Inspra, Selara, Inspra (TN), Eplerenone (JAN/USAN/INN), CHEBI:31547, CGP-30083, NCGC00159559-01, NCGC00159559-02, SC-66110, TL8000270, C12512, D01115, 7alpha-methoxycarbonyl-3-oxo-9,11alpha-epoxy-17alpha-pregn-4-ene-21,17-carbolactone

Molecular Formula:	C₂₄H₃₀O₆	Molecular Weight:	414.491400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: JUKPWJGBANNWMW-VWBFHTRKSA-N

• Ethyl (R)-(+)-4-Chloro-3-hydroxybutanoate

IUPAC Name: ethyl (3R)-4-chloro-3-hydroxybutanoate | CAS Registry Number: 90866-33-4
Synonyms: 460516_ALDRICH, ZINC02558233, Ethyl (R)-()-4-chloro-3-hydroxybutyrate, TL8005828, (R)-(+)-Ethyl-4-chloro-3-hydroxybutyrate

Molecular Formula:	C₆H₁₁ClO₃	Molecular Weight:	166.602740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZAJNMXDBJKCCAT-RXMQYKEDSA-N

• Ethyl (Z)-2-(2-amino-4-thiazolyl)-2-methoxyiminoacetate

IUPAC Name: ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate | CAS Registry Number: 64485-88-7
Synonyms: EINECS 262-470-5, EINECS 264-912-2, BAS 00531893, ST5233550, Ethyl 2-amino-alpha-(methoxyimino)thiazol-4-acetate, Ethyl (Z)-2-amino-alpha-(methoxyimino)thiazol-4-acetate, Ethyl 2-amino-.alpha.-(methoxyimino)-4-thiazoleacetate, (2-Amino-thiazol-4-yl)-methoxyimino-acetic acid ethyl ester, 4-Thiazoleacetic acid, 2-amino-.alpha.-(methoxyimino)-, ethyl ester, (Z)-, 60846-15-3

Molecular Formula:	C₈H₁₁N₃O₃S	Molecular Weight:	229.256240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: POBMBNPEUPDXRS-WDZFZDKYSA-N

• Ethyl Bromodifluoroacetate

IUPAC Name: ethyl 2-bromo-2,2-difluoroacetate | CAS Registry Number: 667-27-6
Synonyms: Ethyl bromodifluoroacetate, Ethylbromodifluoroacetate, 295795_ALDRICH, 16900_FLUKA, EINECS 211-567-0, BTB 12440, ZINC01845846, Acetic acid, bromodifluoro-, ethyl ester, TL8004719

Molecular Formula:	C₄H₅BrF₂O₂	Molecular Weight:	202.982106 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IRSJDVYTJUCXRV-UHFFFAOYSA-N

• Ethyl Difluoro Acetate

IUPAC Name: ethyl 2,2-difluoroacetate | CAS Registry Number: 454-31-9
Synonyms: ETHYL DIFLUOROACETATE, ETHYL DIFLUORO ACETATE, Acetic acid, difluoro-, ethyl ester, 287628_ALDRICH, BB_SC-4011, EINECS 207-223-4, TE4022, ZINC02040590, TL8003153, 3S110985, 3S210921

Molecular Formula:	C₄H₆F₂O₂	Molecular Weight:	124.086046 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: GZKHDVAKKLTJPO-UHFFFAOYSA-N