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• Acetamide, N-(3-chloro-2-nitrophenyl)- (CAS: 99233-27-9)

• Acetyl Methyl Carbinol

IUPAC Name: 3-hydroxybutan-2-one | CAS Registry Number: 513-86-0
Synonyms: acetoin, Dimethylketol, 2,3-Butanolone, 3-hydroxy-2-butanone, Acethoin, acetylmethylcarbinol, Acetyl methyl carbinol, Acetoin (natural), 2-Hydroxy-3-butanone, acetylmethyl-, 2-Acetoin, 2-Butanone, 3-hydroxy-, DL-Acetoin, 3-hydroxybutan-2-one, (R)-dimethylketol, Methanol, acetylmethyl-, (R)-acetoin, Butan-2-ol-3-one, 1-Hydroxyethyl methyl ketone, (S)-Acetoin

Molecular Formula:	C₄H₈O₂	Molecular Weight:	88.105120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ROWKJAVDOGWPAT-UHFFFAOYSA-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

• Allyloxy-tert-butyldimethylsilane

IUPAC Name: tert-butyl-dimethyl-prop-2-enoxysilane | CAS Registry Number: 105875-75-0
Synonyms: Allyloxy-t-butyldimethylsilane, (Allyloxy)(tert-butyl)dimethylsilane, allyloxy(tert-butyl)dimethylsilane, AG-D-19823, 85807-85-8, Silane, (1,1-dimethylethyl)dimethyl(2-propenyloxy)-, ACMC-20alub, PubChem20198, AC1LB2U0, KSC428C8P, AGN-PC-014NL9, 444294_ALDRICH, AC1Q561S, CTK3C8187, MolPort-003-933-063, KST-1A8659, AR-1A7446, AKOS015841197, tert-butyl-dimethyl-prop-2-enoxysilane, AC-5091

Molecular Formula:	C₉H₂₀OSi	Molecular Weight:	172.340000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DHWVPYLVNAKSEU-UHFFFAOYSA-N

• Alpha,Alpha'-Dibromo-P-Xylene

IUPAC Name: 1,4-bis(bromomethyl)benzene | CAS Registry Number: 623-24-5
Synonyms: p-Xylylene dibromide, p-(Bromomethyl)benzene, 1,4-Bis(bromomethyl)benzene, 1,4-Dibromomethylbenzene, p-Bis(bromomethyl)benzene, Benzene, 1,4-bis(bromomethyl)-, alpha,alpha'-Dibromo-p-xylene, CCRIS 1775, D44804_ALDRICH, NSC6226, NSC 6226, p-Xylene, .alpha.,.alpha.'-dibromo-, 34440_FLUKA, EINECS 210-781-1, p-Xylene, alpha,alpha'-dibromo-, p-.alpha.,.alpha.'-Dibromoxylene, CID69335, .alpha.,.alpha.'-Dibromo-p-xylene, ZINC00157452, p-Xylene, alpha,alpha'-dibromo- (8CI)

Molecular Formula:	C₈H₈Br₂	Molecular Weight:	263.957120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: RBZMSGOBSOCYHR-UHFFFAOYSA-N

• alpha-Methyl Cinnamic Aldehyde

IUPAC Name: (Z)-2-methyl-3-phenylprop-2-enal | CAS Registry Number: 101-39-3
Synonyms: alpha-Methylcinnimal, Methyl cinnamic aldehyde, 2-Methylcinnamaldehyde, alpha-Methyl cinnamaldehyde, 2-Methyl-3-phenylacrolein, .alpha.-Methylcinnimal, 3-Phenyl-2-methylacrolein, Cinnamaldehyde, alpha-methyl, 2-Methyl-3-phenylacrylaldehyde, alpha-Methylcinnamic aldehyde, WLN: VHYU1R, 2-Methyl-3-phenyl-2-propenal, ALPHA-METHYLCINNAMALDEHYDE, Cinnamaldehyde, alpha-methyl-, FEMA No. 2697, .alpha.-Methylcinnamaldehyde, CCRIS 6257, 2-Propenal, 2-methyl-3-phenyl-, .alpha.-Methylcinnamic aldehyde, Cinnamaldehyde, .alpha.-methyl-

Molecular Formula:	C₁₀H₁₀O	Molecular Weight:	146.185800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: VLUMOWNVWOXZAU-CLFYSBASSA-N

• 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

• Benzenamine, 4-fluoro-2-nitro-5-(trifluoromethyl)-

IUPAC Name: 4-fluoro-2-nitro-5-(trifluoromethyl)aniline | CAS Registry Number: 179062-05-6
Synonyms: 5-Amino-2-fluoro-4-nitrobenzotrifluoride, 4-fluoro-2-nitro-5-(trifluoromethyl)aniline, ZINC04334572, PubChem4933, AC1MC7OR, SureCN462851, KSC106O9T, CTK0A6799, MolPort-001-776-013, CL8444, PC5168, RW3543, SBB096612, AKOS005259281, AG-L-22336, AM62308, QC-2061, 2-Fluoro-4-nitro-5-aminobenzotrifluoride, AK-33781, BR-33781

Molecular Formula:	C₇H₄F₄N₂O₂	Molecular Weight:	224.112473 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: WOSGMZUIHAFPSS-UHFFFAOYSA-N

• Benzoic acid, 2-(bromomethyl)-3-nitro-, methyl ester

IUPAC Name: methyl 2-(bromomethyl)-3-nitrobenzoate | CAS Registry Number: 98475-07-1
Synonyms: Methyl 2-(bromomethyl)-3-nitrobenzoate, Methyl 2-bromomethyl-3-nitrobenzoate, 2-BROMOMETHYL-3-NITROBENZOIC ACID METHYL ESTER, Methyl2-bromomethyl-3-nitrobenzoate, SBB064270, AG-H-99647, 2-Bromomethyl-3-nitrobenzoicacid methyl ester, BENZOIC ACID, 2-(BROMOMETHYL)-3-NITRO-, METHYL ESTER, 2-Bromomethyl-3-nitro benzoic acid methyl ester, ZINC01402301, zlchem 474, AC1LSGVO, PubChem19169, SureCN332011, KSC496G1P, CTK3J6317, ZLC0339, MolPort-002-344-323, ACT00740, ANW-47137

Molecular Formula:	C₉H₈BrNO₄	Molecular Weight:	274.068120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: FCGIVHSBEKGQMZ-UHFFFAOYSA-N

• Benzonitrile, 2-amino-4-bromo-

IUPAC Name: 2-amino-4-bromobenzonitrile | CAS Registry Number: 304858-65-9
Synonyms: 2-AMINO-4-BROMOBENZONITRILE, PubChem12350, 4-Bromoanthranilonitrile, ACMC-209hga, 5-Bromo-2-cyanoaniline, SureCN1906136, KSC497K4B, CTK3J7540, ACT00516, ANW-26888, CL8139, AKOS006290546, AG-F-00507, RP25500, RP25503, 2-azanyl-4-bromanyl-benzenecarbonitrile, AK-30960, BR-30960, KB-19857, AM20050447

Molecular Formula:	C₇H₅BrN₂	Molecular Weight:	197.032000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PWJBXJQMHYIRKI-UHFFFAOYSA-N

• Benzonitrile, 2-chloro-5-methyl-

IUPAC Name: 2-chloro-5-methylbenzonitrile | CAS Registry Number: 4387-32-0
Synonyms: Ambap3485, 2-CHLORO-5-METHYLBENZONITRILE

Molecular Formula:	C₈H₆ClN	Molecular Weight:	151.592940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZTIPZBJOLLKLTB-UHFFFAOYSA-N

• BENZOPHENONE (CAS: 44065-45-6)

• 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

• Benzophenones

IUPAC Name: di(phenyl)methanone | CAS Registry Number: 119-61-9
Synonyms: BENZOPHENONE, Diphenyl ketone, diphenylmethanone, Benzoylbenzene, Phenyl ketone, Methanone, diphenyl-, alpha-Oxoditane, Ketone, diphenyl, Diphenylketone, Benzene, benzoyl-, 1dzp, alpha-Oxodiphenylmethane, .alpha.-Oxoditane, di(phenyl)methanone, Caswell No. 081G, WLN: RVR, .alpha.-Oxodiphenylmethane, CCRIS 629, UPCMLD-DP071, BENZOPHENONE (8CI)

Molecular Formula:	C₁₃H₁₀O	Molecular Weight:	182.217900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: RWCCWEUUXYIKHB-UHFFFAOYSA-N

• Benzophone imine hydrochloride

IUPAC Name: diphenylmethanimine hydrochloride | CAS Registry Number: 5319-67-5
Synonyms: MolPort-003-921-298, NSC143525

Molecular Formula:	C₁₃H₁₂ClN	Molecular Weight:	217.694080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: QXHZCMMSAPYFKT-UHFFFAOYSA-N

• BENZYL 6,6-DIBROMOPENICILLANATE

IUPAC Name: benzhydryl (2S)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 75527-84-3
Synonyms: Benzyl 6,6-dibromopenicillanate, AKOS015961531

Molecular Formula:	C₂₁H₁₉Br₂NO₃S	Molecular Weight:	525.253460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: SSLOATPLZXISQE-UCFFOFKASA-N

• bFGF Inhibitory Peptide

IUPAC Name: (E)-2-(4-cyclopropylsulfonylphenyl)-3-(oxan-4-yl)prop-2-enoic acid | CAS Registry Number: 745052-98-6
Synonyms: (E)-2-(4-(cyclopropylsulfonyl)phenyl)-3-(tetrahydro-2H-pyran-4-yl)acrylic acid, SureCN2652180

Molecular Formula:	C₁₇H₂₀O₅S	Molecular Weight:	336.402700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: MNNGVQPWHYBWLL-LFIBNONCSA-N

• Butene-1,4-Diol

IUPAC Name: (E)-but-2-ene-1,4-diol | CAS Registry Number: 110-64-5
Synonyms: Butenediol, Penitricin C, 2-Butene-1,4-diol, Agrisynth B2D, 1,4-Butenediol, Caswell No. 120, 2-Buten-1,4-diol, 1,4-DIHYDROXY-2-BUTENE, 2-Butene, 1,4-dihydroxy-, trans-2-Butene-1,4-diol, HSDB 5540, NSC 1260, (2E)-but-2-ene-1,4-diol, EINECS 203-787-0, 2-Butene-1,4-diol, (E)-, 2-butene-1,4-diol, (2E)-, EPA Pesticide Chemical Code 220100, 2-BUTENE-1,4-DIOL (TRANS), AI3-07551, LS-2083

Molecular Formula:	C₄H₈O₂	Molecular Weight:	88.105120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: ORTVZLZNOYNASJ-OWOJBTEDSA-N

• Chlorhexidine diacetate

IUPAC Name: acetic acid; (1E)-2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine | CAS Registry Number: 56-95-1
Synonyms: Bactigras, Nolvasan, Hibitane diacetate, Chlorhexidine acetate, Nolvasan (TN), Caswell No. 481E, Chlorohexidine diacetate, 10,040 Diacetate, Chlorhexidine di(acetate), Chlorhexidine acetate (VAN), C6143_SIGMA, EINECS 200-302-4, EPA Pesticide Chemical Code 045502, NSC 526936, Chlorhexidine diacetate salt hydrate, CID9562059, Bis(p-chlorophenyldiguanidohexane) diacetate, LS-43918, 1,6-Bis(p-chlorophenylbiguanido)hexane diacetate, 1,6-Di(4'-chlorophenyldiguanidino)hexane diacetate

Molecular Formula:	C₂₆H₃₈Cl₂N₁₀O₄	Molecular Weight:	625.550520 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	14

InChIKey: WDRFFJWBUDTUCA-UHFFFAOYSA-N

• Chloroiodomethane

IUPAC Name: chloro(iodo)methane | CAS Registry Number: 593-71-5
Synonyms: CHLOROIODOMETHANE, Methane, chloroiodo-, QMABlXaIh@, 242861_ALDRICH, 24920_FLUKA, CID11644, EINECS 209-804-8, OR30688, 3S109956, S14-0715

Molecular Formula:	CH₂ClI	Molecular Weight:	176.384050 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: PJGJQVRXEUVAFT-UHFFFAOYSA-N

• Chloromethyl ethanoate

IUPAC Name: chloromethyl acetate | CAS Registry Number: 625-56-9
Synonyms: Chloromethyl acetate, Chloromethanol acetate, Methanol, chloro-, acetate, ghl.PD_Mitscher_leg0.478, EINECS 210-902-8

Molecular Formula:	C₃H₅ClO₂	Molecular Weight:	108.523600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SMJYMSAPPGLBAR-UHFFFAOYSA-N

• Chlorzoxazone

IUPAC Name: 5-chloro-3H-1,3-benzoxazol-2-one | CAS Registry Number: 95-25-0
Synonyms: chlorzoxazone, Paraflex, Chloroxazone, Chlorzoxazon, Biomioran, Myoflexin, Myoflexine, Pathorysin, Escoflex, Miotran, Neoflex, Solaxin, Mioran, Chlorsoxazone, Parafon Forte, Chlorzoxane, Klorzoxazon, Remofleks, Nyoflex, Parafon

Molecular Formula:	C₇H₄ClNO₂	Molecular Weight:	169.565160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: TZFWDZFKRBELIQ-UHFFFAOYSA-N

• Cimetidine

IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine | CAS Registry Number: 51481-61-9
Synonyms: cimetidine, Tagamet, Cimetag, Cimetidina, Cimetidinum, Eureceptor, Gastrobitan, Ulcomedina, Acibilin, Dyspamet, Gastromet, Metracin, Ulcedine, Ulcerfen, Ulcestop, Valmagen, Cimetum, Edalene, Tametin, Ulcedin

Molecular Formula:	C₁₀H₁₆N₆S	Molecular Weight:	252.339240 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-N

• Cis-Diamminediiodoplatinum

IUPAC Name: azane; platinum(2+); diiodide | CAS Registry Number: 15978-93-5
Synonyms: Diamminediiodoplatinum, Diammine-diiodoplatin, cis-Diamminediiodoplatinum, cis-Diiododiammineplatinum, Platinous diiododiammine, trans-Diamminediiodoplatinum, Platinum, diamminediiodo-, cis-Diiododiammineplatium(II), cis-Diamminediiodoplatinum(II), trans-Diamminediiodoplatinum(II), Platinum, diamminediiodo-, cis-, EINECS 240-115-5, Platinum, diamminediiodo-, trans-, CID85220, Platinum (II), diamminediiodo-, cis-, Platinum(II), diamminediiodo-, trans-, EINECS 237-562-3, Platinum, diamminediiodo-, (SP-4-2)-, Platinum, diamminediiodo-, (SP-4-1)-, Platinum, diamminediiodo-, trans- (8CI)

Molecular Formula:	H₆I₂N₂Pt	Molecular Weight:	482.947980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: PNCHTLQBARZRSO-UHFFFAOYSA-L

• 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

• Clofarabine

IUPAC Name: (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 123318-82-1
Synonyms: Clolar, Clofarex, Evoltra, Clofarabine [USAN], CAFdA, Clolar (TN), C1-F-Ara-A, Clofarabine (USAN/INN), 2-Cl-2'-F-araA, STOCK1N-71250, DB00631, LS-126466, D03546, 3S211048, 2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine, 2-Chloro-9-(2-deoxy-2-fluoro-b-D-arabinofuranosyl)-9H-purin-6-amine, 9H-Purin-6-amine, 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-, 2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-amine, CFB, (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

Molecular Formula:	C₁₀H₁₁ClFN₅O₃	Molecular Weight:	303.677443 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: WDDPHFBMKLOVOX-AYQXTPAHSA-N

• Cyclobutanedicarboxylic Acid

IUPAC Name: cyclobutane-1,1-dicarboxylic acid | CAS Registry Number: 5445-51-2
Synonyms: H2cbdca, 1,1-Cyclobutanedicarboxylic acid, Cyclobutane-1,1-dicarboxylic acid, C95803_ALDRICH, MLS001336051, MLS001336052, CHEBI:35691, 1,1-cyclobutane dicarboxylic acid, NSC22073, EINECS 226-651-2, NSC 22073, SMR000857344, TL806432, ST5308099, C-9000, InChI=1/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10

Molecular Formula:	C₆H₈O₄	Molecular Weight:	144.125320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: CCQPAEQGAVNNIA-UHFFFAOYSA-N

• Cycloleucine Methyl Ester.Hcl

IUPAC Name: methyl 1-aminocyclopentane-1-carboxylate hydrochloride | CAS Registry Number: 60421-23-0
Synonyms: NSC161119, TL8003825, 1-Amino-1-cyclopentanecarboxylic acid methyl ester hydrochloride, Cyclopentanecarboxylic acid, 1-amino-, methyl ester, hydrochloride

Molecular Formula:	C₇H₁₄ClNO₂	Molecular Weight:	179.644560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: OPUJUITUYWGUEP-UHFFFAOYSA-N

• Cyclopropanecarbonyl Chloride

IUPAC Name: cyclopropanecarbonyl chloride | CAS Registry Number: 4023-34-1
Synonyms: Cyclopropanecarbonyl chloride, Cyclopropane carbonyl chloride, Cyclopropylcarboxyl chloride, Cyclopropanecarboxylic acid chloride, C116807_ALDRICH, CID77637, EINECS 223-684-4, ZINC02242630

Molecular Formula:	C₄H₅ClO	Molecular Weight:	104.534900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZOOSILUVXHVRJE-UHFFFAOYSA-N

• Cysteamine hydrochloride

IUPAC Name: 2-aminoethanethiol hydrochloride | CAS Registry Number: 156-57-0
Synonyms: Bekaptan, Cysteamine HCl, Cysteaminium chloride, Merkamin hydrochloride, Mercamine hydrochloride, Cysteamine chlorohydrate, Mercaptamine hydrochloride, USAF EE-3, C2H7NS.HCl, Spectrum2_001667, Spectrum3_000992, Spectrum4_001120, Spectrum5_001422, 2-Thioethylamine hydrochloride, Cysteaminhydrochlorid [German], Mercaptoethylamine hydrochloride, CCRIS 3926, 2-Aminoethanethiol hydrochloride, 2-Mercaptoethylammonium chloride, Cysteamine hydrochloride [USAN]

Molecular Formula:	C₂H₈ClNS	Molecular Weight:	113.609620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: OGMADIBCHLQMIP-UHFFFAOYSA-N

• Cytarabine

IUPAC Name: 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | CAS Registry Number: 147-94-4
Synonyms: cytarabine, Arabinocytidine, Cytarabin, Cytosine arabinoside, Arabinosylcytosine, Ara-C, Cytarabinoside, Aracytidine, Cytarabina, Aracytin, Tarabine, Cytosar, Depocyt, Alexan, Udicil, Spongocytidine, Arabitin, Aracytine, Arafcyt, Cytosine arabinose

Molecular Formula:	C₉H₁₃N₃O₅	Molecular Weight:	243.216620 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: UHDGCWIWMRVCDJ-CCXZUQQUSA-N

• Cytosine Arabinoside Hydrochloride

IUPAC Name: 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one hydrochloride | CAS Registry Number: 69-74-9
Synonyms: Cylocide, Iretin, cytarabine, Ara-C hydrochloride, Alexan hydrochloride, Cytosar hydrochloride, Arabitin hydrochloride, Aracytin hydrochloride, CYTARABINE HYDROCHLORIDE, Aracytidine hydrochloride, Cytarabin hydrochloride, Spongocytidine hydrochloride, Arabinosylcytosine hydrochloride, Cytosine arabinoside hydrochloride, Arabinocytidine hydrochloride, CCRIS 4774, C9H13N3O5.HCl, Arabinosyl cytosine hydrochloride, Cytarabine hydrochloride [USAN], MLS000028466

Molecular Formula:	C₉H₁₄ClN₃O₅	Molecular Weight:	279.677560 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: KCURWTAZOZXKSJ-JBMRGDGGSA-N

• Decitabine

IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one | CAS Registry Number: 2353-33-5
Synonyms: Dezocitidine, Dacogen, 5-Aza-2'-deoxycytidine, AzadC, 5-Azadeoxycytidine, 5-aza-CdR, 5-aza-dC, Dacogen (TN), 2'-Deoxy-5-azacytidine, 5A2dc, 5-aza-2-deoxycytidine, 5-AZAdC, NCGC_5ADOC, Decitabine (USAN/INN), MolMap_000063, MLS001332587, MLS001332588, A3656_SIGMA, 5-Aza-2′-Deoxycytidine, 5-Deoxy-2′-azacytidine

Molecular Formula:	C₈H₁₂N₄O₄	Molecular Weight:	228.205280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-N

• Dehydroepiandrosterone (DHEA)

IUPAC Name: (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one | CAS Registry Number: 53-43-0
Synonyms: Dehydroepiandrosterone, Androstenolone, Psicosterone, Diandrone, Diandron, Dehydroisoandrosterone, DHEA, Prestara, PRASTERONE, Andrestenol, 17-Hormoforin, 17-Chetovis, Siscelar plus, trans-Dehydroandrosterone, Androstenol, Astenile, Deandros, Inflabloc, Anastar, Fidelin

Molecular Formula:	C₁₉H₂₈O₂	Molecular Weight:	288.424420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FMGSKLZLMKYGDP-USOAJAOKSA-N

• Dexrazoxane

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

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

InChIKey: BMKDZUISNHGIBY-ZETCQYMHSA-N

• DI(DITHIOPEROXO)SULFURIC ACID SODIUM SALT HYDRATE

Synonyms: TETRATHIONIC ACID, Tetrathionate sodium dihydrate, Disodium tetrathionate dihydrate, 13760-29-7 (Parent), CID203055, Tetrathionic acid, disodium salt, dihydrate, Sodium tetrathionate, dihydrate (6CI,7CI), LS-149014

Molecular Formula:	H₄Na₂O₈S₄	Molecular Weight:	306.266500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: HAEPBEMBOAIUPN-UHFFFAOYSA-L

• Diacetone-beta-D-Fructose

Synonyms: D-Fructopyranose diacetonide, D1018_SIGMA, NSC407023, 2,3:4,5-Di-O-isopropylidene-beta-D-fructopyranose, Fructopyranose, 2,3:4,5-di-O-isopropylidene-, .beta.-D-, .beta.-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-

Molecular Formula:	C₁₂H₂₀O₆	Molecular Weight:	260.283600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: PSSHGMIAIUYOJF-UHFFFAOYSA-N

• Diacetonefructose chlorosulfate

IUPAC Name: (3aS,5aR,8aR,8bS)-3a-(chlorosulfonyloxymethyl)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[4,5-a:5',3'-d]pyran | CAS Registry Number: 150609-95-3
Synonyms: 2,3:4,5-bis-O-(1-methylethylidene)-bD-Fructopyranose chlorosulfate, MolPort-005-935-394, AKOS015961948, AC-15524, O967

Molecular Formula:	C₁₂H₁₉ClO₈S	Molecular Weight:	358.792460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: RXVWCMYRBRBGMC-XBWDGYHZSA-N

• Diethyl Benzyl Malonate

IUPAC Name: diethyl 2-(phenylmethyl)propanedioate | CAS Registry Number: 607-81-8
Synonyms: Diethyl benzylmalonate, Diethyl 2-benzylmalonate, Benzylmalonic acid diethyl ester, 135542_ALDRICH, diethyl (phenylmethyl)propanedioate, Malonic acid, benzyl-, diethyl ester, NSC 8720, 13532_FLUKA, EINECS 210-142-7, NSC8720, Malonic acid, 2-benzyl-, diethyl ester, NSC 41169, NSC631631, AIDS134170, AIDS-134170, NSC41169, Propanedioic acid, (phenylmethyl)-, diethyl ester, ZINC01648200, AI3-01359, LS-184889

Molecular Formula:	C₁₄H₁₈O₄	Molecular Weight:	250.290320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ICZLTZWATFXDLP-UHFFFAOYSA-N

• DIETHYLENGLYKOL-DIGLYCIDYLETHER

IUPAC Name: 2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane | CAS Registry Number: 4206-61-5
Synonyms: Diglycidyl diglycol, DIETHYLENE GLYCOL, Diethylene glycol diglycidyl ether, Diglycidyl diethyleneglycol ether, Diethylene glycol bis-glycidyl ether, 17741_FLUKA, EINECS 224-122-0, MolPort-003-927-212, 17741_SIAL, NSC 517936, BRN 1308085, CID351024, NSC517936, Ether, bis(2-(2,3-epoxypropoxy)ethyl), Ether, bis[2-(2,3-epoxypropoxy)ethyl], 4,7,10-Trioxatridecane, 1,2:12,13-diepoxy-, LS-67731, 2,2'-(Oxybis(ethyleneoxymethylene))bisoxirane, 2,2'-(Oxybis(2,1-ethanediyloxymethylene))bisoxirane, Oxirane, 2,2'-(oxybis(2,1-ethanediyloxymethylene))bis-

Molecular Formula:	C₁₀H₁₈O₅	Molecular Weight:	218.246920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: SEFYJVFBMNOLBK-UHFFFAOYSA-N

• Diethylmaleate

IUPAC Name: diethyl (Z)-but-2-enedioate | CAS Registry Number: 141-05-9
Synonyms: Ethyl maleate, DIETHYL MALEATE, Maleic acid, diethyl ester, diethyl but-2-enedioate, Maleic acid diethyl ester, diethyl (2Z)-but-2-enedioate, CCRIS 941, D97703_ALDRICH, WLN: 2OV1U1VO2, 2-Butenedioic acid (Z)-, diethyl ester, (C8-C15) Dialkyl maleates, W505005_ALDRICH, NSC 8394, C20-C24 Fatty alcohol maleate, EINECS 205-451-9, NSC8394, AIDS208584, AIDS-208584, Diethylester kyseliny maleinove [Czech], BRN 1100825

Molecular Formula:	C₈H₁₂O₄	Molecular Weight:	172.178480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IEPRKVQEAMIZSS-WAYWQWQTSA-N

• DIETHYLSULFAMOYL CHLORIDE

IUPAC Name: N,N-diethylsulfamoyl chloride | CAS Registry Number: 20588-68-5
Synonyms: diethylsulfamoyl chloride, Sulfamoyl chloride, diethyl-, N,N-Diethylsulfamoyl chloride, Diethylsulfamoylchloride, AC1Q2ZKF, (diethylamino)chlorosulfone, Ambcb4026313, AGN-PC-005BCU, N,N-Diethyl sulphamoyl chloride, CTK0J8684, MolPort-002-470-968, SBB085391, AKOS000302626, AG-E-51053, MCULE-5792036541, KB-251536, BB 0254747, EN300-23873, T5508310, I14-26853

Molecular Formula:	C₄H₁₀ClNO₂S	Molecular Weight:	171.645700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NDYAAZRKZRTLQC-UHFFFAOYSA-N

• Dimercapto Thiadiazole

IUPAC Name: 1,3,4-thiadiazolidine-2,5-dithione | CAS Registry Number: 1072-71-5
Synonyms: Bismuthiol I, Dimercaptothiadiazole, Bismuththiol i, Usaf fa-4, 2,5-Dimercaptothiadiazole, BISMUTH THIOL I, Usafa-8354, USAF A-8354, 1,3,4-Thiadiazolidine-2,5-dithione, 2,5-Dimercapto-thiadiazole, 2,5-Dimercapto-1,3,4-thiadiazole, PY 61H, 1,3,4-THIADIAZOLE-2,5-DITHIOL, D129003_ALDRICH, WLN: T5NNDSJ CSH ESH, 2,5-Dimercapto-1,3,4-thiodiazole, NSC4645, WLN: T5NN DSJ CSH ESH, NSC 4645, 15100_FLUKA

Molecular Formula:	C₂H₂N₂S₃	Molecular Weight:	150.245680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	0

InChIKey: BIGYLAKFCGVRAN-UHFFFAOYSA-N

• Dimethyl Amino Propyl Chloride Hydrochloride

IUPAC Name: 3-chloro-N,N-dimethylpropan-1-amine hydrochloride | CAS Registry Number: 5407-04-5
Synonyms: CCRIS 7054, D145203_ALDRICH, Dimethylaminopropyl chloride HCl, NSC 5368, Dimethylaminopropyl chloride, hydrochloride, EINECS 226-467-2, NSC5368, 3-dimethylaminopropyl chloride.hcl, 3-Chloropropyldimethylammonium chloride, 3-Chloro-N,N-dimethylpropylamine hydrochloride, 3-(Dimethylamino)chloropropane hydrochloride, 3-(Dimethylamino)propyl chloride hydrochloride, AI3-26681, LS-1341, N,N-Dimethyl-3-chloropropylamine hydrochloride, 1-Chloro-3-(dimethylamino)propane hydrochloride, beta-Dimethylaminopropylchloride hydrochloride, Dimethylaminopropyl chloride hydrochloride, NCGC00091536-01, 3-(Dimethylamino)-1-propyl chloride hydrochloride

Molecular Formula:	C₅H₁₃Cl₂N	Molecular Weight:	158.069420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LJQNMDZRCXJETK-UHFFFAOYSA-N

• Dimethyl itaconate

IUPAC Name: dimethyl 2-methylidenebutanedioate | CAS Registry Number: 617-52-7
Synonyms: Dimethylitaconate, Itaconic acid dimethyl ester, Dimethyl 2-methylenesuccinate, Itaconic acid, dimethyl ester, NSC9385, CCRIS 7232, dimethyl 2-methylidenebutanedioate, BB_NC-0456, Butanedioic acid, methylene-, dimethyl ester, Succinic acid, methylene-, dimethyl ester, CID69240, ITACONIC ACID, DIMETHYLESTER, EINECS 210-519-6, STK801932, ZINC01699952, Methylenesuccinic acid, dimethyl ester, AI3-16883, TL8003938, AC-907/25014187, I14-1743

Molecular Formula:	C₇H₁₀O₄	Molecular Weight:	158.151900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ZWWQRMFIZFPUAA-UHFFFAOYSA-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

• Esomeprazole Sodium

IUPAC Name: sodium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide | CAS Registry Number: 161796-78-7
Synonyms: Losec Sodium, Andra, Nexium IV, OMEPRAZOLE SODIUM, Losec sodium (TN), Nexium IV (TN), H 168/68 sodium, Omeprazole sodium [USAN], Omeprazole sodium (USAN), Esomeprazole sodium (USAN), LS-33032, D01207, D04056, 1H-Benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-, sodium salt, 95510-70-6, 5-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl)benzimidazole, sodium salt

Molecular Formula:	C₁₇H₁₈N₃NaO₃S	Molecular Weight:	367.397890 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: RYXPMWYHEBGTRV-UHFFFAOYSA-N

• Ethoxymethylenemalononitrile

IUPAC Name: 2-(ethoxymethylidene)propanedinitrile | CAS Registry Number: 123-06-8
Synonyms: (Ethoxymethylene)malononitrile, 2-Cyano-3-ethoxyacrylonitrile, Ethoxymethylene malononitrile, USAF KF-10, Propanedinitrile, (ethoxymethylene)-, (Ethoxymethylene)propanedinitrile, USAF A-9230, E6200_ALDRICH, Malononitrile, (ethoxymethylene)-, WLN: NCYCN & 1O2, 2-(Ethoxymethylene)malononitrile, EINECS 204-597-0, ZERO/001251, NSC 27792, NSC27792, BRN 1634241, ZINC01641627, .alpha.-Cyano-.beta.-ethoxyacrylonitrile, AI3-28939, LS-88928

Molecular Formula:	C₆H₆N₂O	Molecular Weight:	122.124640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: OEICGMPRFOJHKO-UHFFFAOYSA-N

• Ethyl 2-Bromo-3-Nitrobenzoate

IUPAC Name: ethyl 2-bromo-3-nitrobenzoate | CAS Registry Number: 31706-23-7
Synonyms: Ethyl 2-bromo-3-nitrobenzoate, AC1MVE0K, SureCN2977262, KSC495G7F, CTK3J5372, MolPort-002-474-298, ACT07388, ANW-73662, ZINC02164703, AKOS015889956, AM82975, 2-Bromo-3-nitro-benzoic acid ethyl ester, AK-34650, KB-50885, FT-0080812, FT-0638987, A23082, I01-4356

Molecular Formula:	C₉H₈BrNO₄	Molecular Weight:	274.068120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: WTNZOABLVURCTP-UHFFFAOYSA-N

• Ethyl 3-methylpyrazole-5-carboxylate

IUPAC Name: ethyl 5-methyl-1H-pyrazole-3-carboxylate | CAS Registry Number: 4027-57-0
Synonyms: NCIOpen2_000243, 558354_ALDRICH, AIDS167184, BB_SC-3685, Ethyl 5-methyl-1H-pyrazole-3-carboxylate, AIDS-167184, NSC44006, NSC62433, EINECS 223-702-0, ZINC00118756, ZINC03851823, SDCCGMLS-0066251.P001, Ethyl 3-methyl-1H-pyrazole-5-carboxylate, 1H-Pyrazole-3-carboxylic acid, 5-methyl-, ethyl ester, 3-Pyrazolecarboxylic acid, 5-methyl-, ethyl ester, AG-664/25003391

Molecular Formula:	C₇H₁₀N₂O₂	Molecular Weight:	154.166500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: BOTXQJAHRCGJEG-UHFFFAOYSA-N