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• Acebutolol Hcl

IUPAC Name: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide hydrochloride | CAS Registry Number: 34381-68-5
Synonyms: Acebutolol hydrochloride, Sectral, Prestwick_512, Sectral (TN), MLS000069553, MLS001076107, A3669_SIGMA, SPECTRUM1500665, CHEBI:2380, CID441307, Acebutolol hydrochloride (JP15/USP), NCGC00094830-01, NCGC00094830-02, NCGC00094830-03, NCGC00094830-04, SMR000058800, TL8002563, C07677, D00597, N-(3-Acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide

Molecular Formula:	C₁₈H₂₉ClN₂O₄	Molecular Weight:	372.886860 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: KTUFKADDDORSSI-UHFFFAOYSA-N

• Acetyl Cysteine

IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid | CAS Registry Number: 616-91-1
Synonyms: acetylcysteine, N-Acetyl-L-cysteine, N-Acetylcysteine, Broncholysin, Acetadote, Fluimucil, Mucomyst, Parvolex, Airbron, Mucosil, Brunac, Fabrol, mercapturic acid, L-Acetylcysteine, Fluimucetin, Flumucetin, Mucosolvin, Fluprowit, Lysomucil, Mucofilin

Molecular Formula:	C₅H₉NO₃S	Molecular Weight:	163.194860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PWKSKIMOESPYIA-BYPYZUCNSA-N

• Acetyl Sulphanilyl Chloride

IUPAC Name: 4-acetamidobenzenesulfonyl chloride | CAS Registry Number: 121-60-8
Synonyms: Dagenan chloride, N-Acetylsulfanilyl chloride, Acetylsulfanilyl chloride, N4-Acetylsulfanilyl chloride, 4-Chlorosulfonylacetanilide, p-Acetaminobenzenesulfonyl chloride, N-Acetylsulphanilyl chloride, Acetanilide-p-sulfonyl chloride, Sulfanilyl chloride, N-acetyl-, p-(Chlorosulfonyl)acetanilide, p-Acetamidobenzenesulfonyl chloride, p-Acetylaminobenzenesulfochloride, 4-Acetamidobenzenesulfonyl chloride, p-Acetamidophenylsulfonyl chloride, 4-Acetamidophenylsulfonyl chloride, HSDB 2712, 4'-(Chlorosulfonyl)acetanilide, 112747_ALDRICH, Benzenesulfonyl chloride, 4-(acetylamino)-, N(sup 4)-Acetylsulfanilyl chloride

Molecular Formula:	C₈H₈ClNO₃S	Molecular Weight:	233.672020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GRDXCFKBQWDAJH-UHFFFAOYSA-N

• Acetyl Tributyl Citrate

IUPAC Name: tributyl 2-acetyloxypropane-1,2,3-tricarboxylate | CAS Registry Number: 77-90-7
Synonyms: Citroflex A, Blo-trol, Tributyl acetylcitrate, Citroflex A 4, Tributyl O-acetylcitrate, Tributyl citrate acetate, 2-Acetyltributylcitrate, Tributyl acetyl citrate, ACETYL TRIBUTYL CITRATE, Caswell No. 005AB, Tributyl acetylicitrate, Tributyl 2-acetylcitrate, FEMA No. 3080, CCRIS 3409, HSDB 656, Acetylcitric acid, tributyl ester, W308005_ALDRICH, Citric acid, tributyl ester, acetate, 388378_ALDRICH, NSC 3894

Molecular Formula:	C₂₀H₃₄O₈	Molecular Weight:	402.479160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: QZCLKYGREBVARF-UHFFFAOYSA-N

• Acetyl Triethyl Citrate

IUPAC Name: triethyl 2-acetyloxypropane-1,2,3-tricarboxylate | CAS Registry Number: 77-89-4
Synonyms: Citroflex A 2, Acetyl triethyl citrate, ATEC, Triethyl acetylcitrate, Citroflex A-2, Triethyl O-acetylcitrate, Triethyl citrate, acetate, Triethyl citrate acetate, Triethyl 2-acetylcitrate, Citric acid, acetyl triethyl ester, 388351_ALDRICH, O-Acetylcitric acid triethyl ester, NSC 3887, EINECS 201-066-5, NSC3887, BRN 1804947, CITRIC ACID, TRIETHYL ESTER, ACETATE, WLN: 2OV1XVO2&OV1&1VO2, AI3-03574, Triethyl 2-acetoxy-1,2,3-propanetricarboxylate

Molecular Formula:	C₁₄H₂₂O₈	Molecular Weight:	318.319680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: WEAPVABOECTMGR-UHFFFAOYSA-N

• Acroleine Diethyl Acetal

IUPAC Name: 3,3-diethoxyprop-1-ene | CAS Registry Number: 3054-95-3
Synonyms: Acrolein acetal, diethoxypropene, Acrolein diethyl acetal, 3,3-Diethoxypropene, Acrolein diethylacetal, Acrolein, diethyl acetal, Propenal diethyl acetal, 3,3-Diethoxy-1-propene, Acrolein, diethylacetal, 1,1-Diethoxy-2-propene, Acrylaldehyde diethyl acetal, 2-Propenal diethyl acetal, 3,3-diethoxyprop-1-ene, 1-PROPENE, 3,3-DIETHOXY-, 3,3-bis(ethyloxy)prop-1-ene, CCRIS 3496, A24001_ALDRICH, Acrolein, diethyl acetal (8CI), EINECS 221-276-0, NSC 60135

Molecular Formula:	C₇H₁₄O₂	Molecular Weight:	130.184860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MCIPQLOKVXSHTD-UHFFFAOYSA-N

• Alendronate Sodium

IUPAC Name: sodium (4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate trihydrate | CAS Registry Number: 121268-17-5
Synonyms: Alendros, Adronat, Elandor, Fosalan, Fosamax, Dronal, ALENDRONATE SODIUM, Fosamax (TN), Alendronate sodium hydrate, Sodium alendronate hydrate, Alendronate sodium [USAN], Alendronate sodium (USAN), Alendronate sodium trihydrate, A4978_SIGMA, CHEBI:2566, Alendronate sodium hydrate (JAN), CID60736, MK-217, Alendronic acid monosodium salt trihydrate, LS-106424

Molecular Formula:	C₄H₁₈NNaO₁₀P₂	Molecular Weight:	325.123712 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	11

InChIKey: DCSBSVSZJRSITC-UHFFFAOYSA-M

• Alendronate Sodium Amorphous

IUPAC Name: sodium (4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate | CAS Registry Number: 129318-43-0
Synonyms: Fosamax, Fosamac, Onclast, Alendros, Osteovan, Almerol, Bonalon, Indrol, Teiroc, Alend, NeoBon, AHButBP, Monosodium alendronate, AHBuBP, ALENDRONATE SODIUM, Alendronate, Sodium Salt, Alendronic acid sodium salt, GTH-42W, GTH-42, Alendronate, Sodium, Trihydrate

Molecular Formula:	C₄H₁₂NNaO₇P₂	Molecular Weight:	271.077872 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	8

InChIKey: CAKRAHQRJGUPIG-UHFFFAOYSA-M

• Alizarin complexone

IUPAC Name: 2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid | CAS Registry Number: 3952-78-1
Synonyms: Alizarin complexon, Alizarinkomplexon, Alizarine complexon, Alizarine complexone, Alizarin Fluorine Blue, Alizarine Fluorine Blue, Alizarin complexone dihydrate, A3882_SIGMA, 05590_FLUKA, C19H15NO8, EINECS 223-544-2, 3-Aminomethylalizarin-N,N-diacetic acid, AIDS001388, Alizarin-3-methyliminodiacetic acid, NSC 293056, AIDS-001388, BRN 2190028, NSC293056, LS-11776, Alizarine-3-methylimino-N,N-diacetic acid

Molecular Formula:	C₁₉H₁₅NO₈	Molecular Weight:	385.324300 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: PWIGYBONXWGOQE-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 Methyl Ether

IUPAC Name: 3-methoxyprop-1-ene | CAS Registry Number: 627-40-7
Synonyms: 3-Methoxypropene, Ether, allyl methyl, Allyl methyl ether, 1-Propene, 3-methoxy-, 3-methoxyprop-1-ene, 3-Methoxy-1-propene, METHYLALLYL ETHER, 678201_ALDRICH, EINECS 210-997-6, ZINC01845913, LS-67713, InChI=1/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H

Molecular Formula:	C₄H₈O	Molecular Weight:	72.105720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: FASUFOTUSHAIHG-UHFFFAOYSA-N

• Aluminon

IUPAC Name: triazanium 5-[(3-carboxylato-4-hydroxyphenyl)-(3-carboxylato-4-oxocyclohexa-2,5-dien-1-yl)methyl]-2-hydroxybenzoate | CAS Registry Number: 569-58-4
Synonyms: Lysofon, Ammonium aurintricarboxylate, Triammonium aurintricarboxylate, NSC 7669, EINECS 209-319-1, Aurintricarboxylic acid ammonium salt, Aurintricarboxylic acid triammonium salt, CID68439, Aurine-tricarboxylate d'ammonium [French], AI3-63054, LS-56255, C.I. Mordant Violet 39, triammonium salt, C.I. Mordant Violet 39, triammonium salt (8CI), Triammonium 5,5'-(3-carboxylato-4-oxocyclohexa-2,5-dienylidenemethylene)disalicylate, 1,4-Cyclohexadiene-1-carboxylic acid, 3-(bis(3-carboxy-4-hydroxyphenyl)methylene)-6-oxo-, triammonium salt, Benzoic acid, 5-((3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)-2-hydroxy-, triammonium salt, 144097-08-5, 25329-64-0, 4431-00-9

Molecular Formula:	C₂₂H₂₅N₃O₉	Molecular Weight:	475.448600 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: UDPQMNAHKKTHHI-UHFFFAOYSA-N

• Amfebutamone

IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one | CAS Registry Number: 34911-55-2
Synonyms: bupropion, Amfebutamon, Wellbatrin, Bupropion Hcl, (+-)-Bupropion, Bupropion (INN), AMFEBUTAMONE HCl, Bupropion (USAN), Bupropion (Old RN), Bupropion hydrochloride, Spectrum_001663, Bupropion [INN:BAN], SpecPlus_000954, Amfebutamonum [INN-Latin], Amfebutamona [INN-Spanish], Prestwick0_000249, Prestwick1_000249, Prestwick2_000249, Prestwick3_000249, Spectrum2_001659

Molecular Formula:	C₁₃H₁₈ClNO	Molecular Weight:	239.741120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: SNPPWIUOZRMYNY-UHFFFAOYSA-N

• Amifostine

IUPAC Name: 2-(3-aminopropylamino)ethylsulfanylphosphonic acid trihydrate | CAS Registry Number: 112901-68-5
Synonyms: amifostine, Ethyol, Amifostine hydrate, Anifostine trihydrate, Amifostine (USP), Amifostine trihydrate, 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

• Anthracene-9-Carboxylic Acid

IUPAC Name: anthracene-9-carboxylic acid | CAS Registry Number: 723-62-6
Synonyms: 9-Anthroic acid, 9-Anthracenecarboxylic acid, 9-Carboxyanthracene, ANCA, anthracene-9-carboxylic acid, 9-AC cpd, Spectrum_001457, Tocris-0963, Spectrum3_001767, Spectrum4_000875, Spectrum5_001807, 9-ACA, 9-anthracene carboxylic acid, A89405_ALDRICH, BSPBio_003233, KBioGR_001569, KBioSS_001937, 9-anthroic acid, sodium salt, Anthracene-10-carboxylic acid, DivK1c_000919

Molecular Formula:	C₁₅H₁₀O₂	Molecular Weight:	222.238700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XGWFJBFNAQHLEF-UHFFFAOYSA-N

• Antipyrine Salicylate

IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one; 2-hydroxybenzoic acid | CAS Registry Number: 520-07-0
Synonyms: Saliphenazon, Salipyrazolan, Salipyrine, Salazolon, Ansal, Phenazone salicylate, Antipyrine salicylate, C11H12N2O, EINECS 208-283-4, Salicylic acid compd. with antipyrine (1:1), LS-144252

Molecular Formula:	C₁₈H₁₈N₂O₄	Molecular Weight:	326.346520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: WQAQKERCWPUIMH-UHFFFAOYSA-N

• Articaine Hcl

IUPAC Name: methyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate | CAS Registry Number: 23964-58-1
Synonyms: Carticaine, Articaine, Articaine (INN), Articaine [INN:BAN], Articainum [INN-Latin], Articaina [INN-Spanish], Prestwick0_001032, Prestwick1_001032, Prestwick2_001032, Prestwick3_001032, BSPBio_001243, HOE 045, SPBio_003094, BPBio1_001368, C13H20N2O3S, NCGC00179248-01, LS-174027, AB00514635, D07468, Methyl (4-methyl-3-(2-(propylamino)propionamido)-2-thiophencarboxylat)

Molecular Formula:	C₁₃H₂₀N₂O₃S	Molecular Weight:	284.374500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: QTGIAADRBBLJGA-UHFFFAOYSA-N

• Atovaquone

IUPAC Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione | CAS Registry Number: 95233-18-4
Synonyms: ATOVAQUONE, Mepron, Atavaquone, Malarone, Wellvone, Acuvel, Mixture Name, Malarone Pediatric, Compound 566, Mepron (TN), Spectrum_001743, SpecPlus_000686, Atovaquone (USP/INN), Mepron (antipneumocystic), Prestwick0_000534, Prestwick1_000534, Prestwick2_000534, Prestwick3_000534, Spectrum2_001665, Spectrum3_000991

Molecular Formula:	C₂₂H₁₉ClO₃	Molecular Weight:	366.837460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BSJMWHQBCZFXBR-UHFFFAOYSA-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

• b-Ketoglutaric Acid

IUPAC Name: 3-oxopentanedioic acid | CAS Registry Number: 542-05-2
Synonyms: 3-Oxoglutaric acid, Acetonedicarboxylic acid, Ambap5850, Pentanedioic acid, 3-oxo-, 1,3-Acetonedicarboxylic acid, 165115_ALDRICH, EINECS 208-797-9, K-2480

Molecular Formula:	C₅H₆O₅	Molecular Weight:	146.098140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: OXTNCQMOKLOUAM-UHFFFAOYSA-N

• Bahtophenanthroline Sulfonate P.A.

IUPAC Name: disodium 4-[7-(4-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate | CAS Registry Number: 52746-49-3
Synonyms: EINECS 258-152-0, Disodium bathophenanthrolinedisulfonate, EINECS 258-740-7, BATHOOPHENANTHROLINE DISULFONIC ACID, LS-102956, 4,7-Diphenyl-1,10-phenanthrolinium di(sodiosulphonate), 1,10-Phenanthrolinedisulfonic acid, 4,7-diphenyl-, disodium salt, 1,10-Phenanthroline, 4,7-di(phenylsulfonic acid)-, disodium salt, 4,7-Di(4-phenylsulfonic acid)-1,10-phenanthroline, disodium salt, Disodium 4,4'-(1,10-phenanthroline-4,7-diyl)bis(benzenesulphonate), Benzenesulfonic acid, 4,4'-(1,10-phenanthroline-4,7-diyl)bis-, disodium salt, 28061-20-3, 53744-42-6

Molecular Formula:	C₂₄H₁₄N₂Na₂O₆S₂	Molecular Weight:	536.487300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: PCNDSIWXTYFWIA-UHFFFAOYSA-L

• Bathocuproine, Sulfonated, Sodium Salt

IUPAC Name: disodium 4-[2,9-dimethyl-7-(4-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate hydrate | CAS Registry Number: 52698-84-7
Synonyms: 146625_ALDRICH, BATHOCUPROINE DISULFONIC ACID, NA SALT, Bathocuproinedisulfonic acid disodium salt hydrate

Molecular Formula:	C₂₆H₂₀N₂Na₂O₇S₂	Molecular Weight:	582.555740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: BWGALBQIMGMKBB-UHFFFAOYSA-L

• Bathophenanthroline

IUPAC Name: 4,7-di(phenyl)-1,10-phenanthroline | CAS Registry Number: 1662-01-7
Synonyms: BPhen, 1,10-Bathophenanthroline, 4,7-Diphenyl-1,10-phenanthroline, Bathophenanthrolin [German], 1,10-Phenanthroline, 4,7-diphenyl-, 4,7-Diphenyl-o-phenanthroline, 133159_ALDRICH, 4,7-Diphenyl-1,10-diazaphenanthrene, NSC 637659, 11880_FLUKA, EINECS 216-767-1, NSC637659, AIDS016422, AIDS-016422, BRN 0261048, EINECS 269-684-8, SBB008862, ZINC01625284, NCI60_012508, LS-102954

Molecular Formula:	C₂₄H₁₆N₂	Molecular Weight:	332.397240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DHDHJYNTEFLIHY-UHFFFAOYSA-N

• Benzamidine Hydrochloride Hydrate

IUPAC Name: [amino(phenyl)methylidene]azanium | CAS Registry Number: 206752-36-5
Synonyms: benzamidine, Benzenecarboximidamide, Benzamidinium chloride, ZINC00036634, DB03127, BAM, BEN

Molecular Formula:	C₇H₉N₂+	Molecular Weight:	121.159760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: PXXJHWLDUBFPOL-UHFFFAOYSA-O

• Benzanilide

IUPAC Name: N-phenylbenzamide | CAS Registry Number: 93-98-1
Synonyms: BENZANILIDE, N-Phenylbenzamide, N-Benzoylaniline, Benzamide, N-phenyl-, Benzoic acid anilide, TimTec1_003094, 108227_ALDRICH, 442470_SUPELCO, ARONIS003508, 12081_FLUKA, CID7168, NSC3131, AIDS166672, AIDS-166672, NSC 3131, EINECS 202-292-7, ZINC00061530, ST040200, AI3-01046, AE-641/31373004

Molecular Formula:	C₁₃H₁₁NO	Molecular Weight:	197.232540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: ZVSKZLHKADLHSD-UHFFFAOYSA-N

• Benzo[b]furan-2-carboxylic acid

IUPAC Name: 1-benzofuran-2-carboxylic acid | CAS Registry Number: 496-41-3
Synonyms: Coumarilic acid, 2-Carboxybenzofuran, Coumarone-2-carboxylic acid, Benzofuran-2-carboxylic acid, Maybridge1_002455, 2-BENZOFURANCARBOXYLIC ACID, 1-Benzofuran-2-carboxylic acid, Benzo(b)furan-2-carboxylic acid, DivK1c_001207, NSC6165, 307270_ALDRICH, NSC 6165, 12500_FLUKA, EINECS 207-818-9, AIDS073079, AIDS-073079, CID10331, BRN 0124204, SBB000137, AI3-03711

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

InChIKey: OFFSPAZVIVZPHU-UHFFFAOYSA-N

• Benzofuran-2-carbonyl chloride

IUPAC Name: 1-benzofuran-2-carbonyl chloride | CAS Registry Number: 41717-28-6
Synonyms: Coumariloyl chloride, Coumarilic acid chloride, 2-BENZOFURANCARBONYL CHLORIDE, NSC 162303, BRN 0124676, NSC162303, SBB007360, ZINC01627448, LS-34907, 4-18-00-04248 (Beilstein Handbook Reference)

Molecular Formula:	C₉H₅ClO₂	Molecular Weight:	180.587800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZJDRDTZQVOCKPI-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

• Benzoxazole

IUPAC Name: 1,3-benzoxazole | CAS Registry Number: 273-53-0
Synonyms: BENZOXAZOLE, 1-Oxa-3-azaindene, 1,3-Benzoxazole, 1-Oxa-3-aza-1H-indene, USAF EK-5017, WLN: T56 BN DOJ, B11702_ALDRICH, NSC 3982, CHEBI:38814, EINECS 205-988-9, NSC3982, ZINC00404297, AI3-05743, LS-42068, LS-191191, TL8002203, InChI=1/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5

Molecular Formula:	C₇H₅NO	Molecular Weight:	119.120700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: BCMCBBGGLRIHSE-UHFFFAOYSA-N

• Benzoxazolinone

IUPAC Name: 3H-1,3-benzoxazol-2-one | CAS Registry Number: 59-49-4
Synonyms: Benzoxazolone, 2-BENZOXAZOLINONE, 2-Benzoxazolol, 2(3H)-Benzoxazolone, benzoxazolone-2, 2-Hydroxybenzoxazole, benzoxazolin-2-one, Benzoxazole, 2-hydroxy-, benzoxazolone zinc salt, 3H-benzooxazol-2-one, 2(3H)-Benzoxazolinone, benzoxazolin-2(3H)-one, USAF EK-5429, BENZOXAZOLINE,2-ONE, WLN: T56 BMVOJ, 1,3-Benzoxazol-2(3H)-one, CCRIS 6794, C7H5NO2, MLS000515797, 157058_ALDRICH

Molecular Formula:	C₇H₅NO₂	Molecular Weight:	135.120100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ASSKVPFEZFQQNQ-UHFFFAOYSA-N

• Benzoyl hydrazine

IUPAC Name: benzohydrazide | CAS Registry Number: 613-94-5
Synonyms: Benzohydrazide, Benzoylhydrazine, BENZHYDRAZIDE, Benzohydrazine, Benzoic hydrazide, Benzoic acid, hydrazide, Benzoyl hydrazide, Hydrazine, benzoyl-, Benzoic acid hydrazide, WLN: ZMR XVQ, NSC 644, CCRIS 1287, B13071_ALDRICH, C6H5-CO-NH-NH2, C7H8N2O, HSDB 2737, NSC644, Hydrazid kyseliny benzoove [Czech], 12100_FLUKA, CHEBI:38454

Molecular Formula:	C₇H₈N₂O	Molecular Weight:	136.151220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: WARCRYXKINZHGQ-UHFFFAOYSA-N

• Benzyl Isocyanate

IUPAC Name: isocyanatomethylbenzene | CAS Registry Number: 3173-56-6
Synonyms: Benzyl isocyanate, Isocyanatomethylbenzene, Benzene, (isocyanatomethyl)-, (Isocyanatomethyl)benzene, Benzene, isocyanatomethyl-, 227269_ALDRICH, ALBB-007528, EINECS 221-640-9, NSC118415, ZINC01708235, 25550-57-6

Molecular Formula:	C₈H₇NO	Molecular Weight:	133.147280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YDNLNVZZTACNJX-UHFFFAOYSA-N

• Bethanechol Chloride

IUPAC Name: 2-carbamoyloxypropyl(trimethyl)azanium chloride | CAS Registry Number: 590-63-6
Synonyms: Urecholine, Bethanechol chloride, Besacholine, Mechotane, Mechothane, Mecothane, Myocholine, Mictone, Mictrol, Myotonachol, Duvoid, Uro-Carb, bethanechol, Urecholine chloride, Muscaran, Myotonine, Myotonine chloride, Urecholine (TN), Bethaine choline chloride, Carbamylmethylcholine chloride

Molecular Formula:	C₇H₁₇ClN₂O₂	Molecular Weight:	196.675080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: XXRMYXBSBOVVBH-UHFFFAOYSA-N

• Bisoprolol fumarate

IUPAC Name: (E)-but-2-enedioic acid; 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol; 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol | CAS Registry Number: 104344-23-2
Synonyms: Zebeta, Bisobloc, Bisomerck, Maintate, Euradal, Fondril, Monocor, Concor, Soprol, Emcor, Godal, Biso-Puren, Concor Plus Forte, Zebeta (TN), Bisoprolol hemifumarate, Bisoprolol hemifumarate salt, B2185_SIGMA, Bisoprolol fumarate (JAN/USP), Bisoprolol fumarate [USAN:JAN], EMD 33512

Molecular Formula:	C₄₀H₆₆N₂O₁₂	Molecular Weight:	766.958240 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	14

InChIKey: VMDFASMUILANOL-WXXKFALUSA-N

• Brominated Alkyl Phosphate

• bupropion HCl

IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one hydrochloride | CAS Registry Number: 31677-93-7
Synonyms: Bupropion hydrochloride, Wellbutrin, Zyban, Wellbutrin SR, Wellbutrin XL, Wellbatrin, Elontril, Quomem, Voxra, Wellbutrin XR, Wellbutrin Retard, Wellbutrin (TN), Prestwick_668, Zyban (pharmaceutical), Amfebutamon hydrochlorid, Zyban (TN), Amfebutamone hydrochloride, B102_SIGMA, HSDB 6988, MLS000069376

Molecular Formula:	C₁₃H₁₉Cl₂NO	Molecular Weight:	276.202060 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: HEYVINCGKDONRU-UHFFFAOYSA-N

• Buspirone Hydrochloride

IUPAC Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride | CAS Registry Number: 33386-08-2
Synonyms: Buspar, Buspirone hydrochloride, Buspimen, Narol, Anxiolan, Busirone, Buspinol, Effiplen, Establix, Kallmiren, Normaton, Spamilan, Ansitec, Anxinil, Censpar, Lucelan, Mabuson, Barpil, Bespar, Itagil

Molecular Formula:	C₂₁H₃₂ClN₅O₂	Molecular Weight:	421.964080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: RICLFGYGYQXUFH-UHFFFAOYSA-N

• Butyl Benzoate

IUPAC Name: butyl benzoate | CAS Registry Number: 136-60-7
Synonyms: n-Butyl benzoate, BUTYL BENZOATE, Anthrapole AZ, Dai Cari XBN, Benzoic acid, butyl ester, Benzoic acid n-butyl ester, WLN: 4OVR, HSDB 2089, W515000_ALDRICH, 293296_ALDRICH, 442667_SUPELCO, NSC 8474, EINECS 205-252-7, Butylester kyseliny benzoove [Czech], NSC8474, BRN 1867073, ZINC01586768, AI3-00521, NCGC00163973-01, LS-36348

Molecular Formula:	C₁₁H₁₄O₂	Molecular Weight:	178.227660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XSIFPSYPOVKYCO-UHFFFAOYSA-N

• Butyl Cyclohexyl Phthalate

IUPAC Name: 2-O-butyl 1-O-cyclohexyl benzene-1,2-dicarboxylate | CAS Registry Number: 84-64-0
Synonyms: Cyclohexyl butyl phthalate, BUTYL CYCLOHEXYL PHTHALATE, Phthalic acid, butyl cyclohexyl ester, CCRIS 6189, HSDB 4488, EINECS 201-548-5, NSC 69994, NSC69994, 1,2-Benzenedicarboxylic acid, butyl cyclohexyl ester, LS-1836, Phthalic acid, butyl cyclohexyl ester (8CI)

Molecular Formula:	C₁₈H₂₄O₄	Molecular Weight:	304.380760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BHKLONWXRPJNAE-UHFFFAOYSA-N

• Carbonylcyanide-3-Chlorophenylhydrazone

IUPAC Name: 2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile | CAS Registry Number: 555-60-2
Synonyms: cccp, m-Cl-CCP, nchembio.94-comp27, MolMap_000008, (3-Chlorophenyl)hydrazonomalononitrile, Carbonylcyanide-3-chlorophenylhydrazone, WLN: NCYCN&NUNR CG, WLN: NCYCN&UNMR CG, Carbonyl cyanide m-chlorophenyl hydrazone, C2759_SIGMA, CID2603, CHEBI:3259, Carbonyl cyanide m-chlorophenylhydrazone, EINECS 209-103-7, m-Chlorophenyl carbonylcyanide hydrazone, NSC 88124, AIDS097715, Carbonylcyanide m-chlorophenylhydrazone, Carbonylcyanide-m-chlorophenylhydrazone, Mesoxalonitrile, (m-chlorophenyl)hydrazone

Molecular Formula:	C₉H₅ClN₄	Molecular Weight:	204.615800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: UGTJLJZQQFGTJD-UHFFFAOYSA-N

• Chalcone

IUPAC Name: (E)-1,3-di(phenyl)prop-2-en-1-one | CAS Registry Number: 94-41-7
Synonyms: trans-Chalcone, Chalkone, Benzalacetophenone, Cinnamophenone, beta-Benzoylstyrene, (E)-Chalcone, Chalkon, Benzylideneacetophenone, Styryl phenyl ketone, 2-Benzalacetophenone, Phenyl styryl ketone, Benzylidenecetophenone, beta-Phenylacrylophenone, trans-Benzalacetophenone, 3-Phenylacrylophenone, 1,3-Diphenylpropenone, Benzylidene acetophenone, Phenyl trans-styryl ketone, 2-Propen-1-one, 1,3-diphenyl-, (E)-Benzylideneacetophenone

Molecular Formula:	C₁₅H₁₂O	Molecular Weight:	208.255180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DQFBYFPFKXHELB-VAWYXSNFSA-N

• Chromotropic Acid, disodium salt

IUPAC Name: disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate | CAS Registry Number: 5808-22-0
Synonyms: Ambap5139, D5144_SIGMA, 27150_FLUKA, 213276_SIAL, CHROMOTROPIC ACID, Na, REAG, Chromotropic acid disodium salt dihydrate, 1,8-Dihydroxynaphthalene-3,6-disulfonic acid disodium salt, 4,5-Dihydroxynaphthalene-2,7-disulfonic acid disodium salt

Molecular Formula:	C₁₀H₁₀Na₂O₁₀S₂	Molecular Weight:	400.289940 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: QUEAKWJKJBFNEG-UHFFFAOYSA-L

• Cresol Red

IUPAC Name: 4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxobenzo[c]oxathiol-3-yl]-2-methylphenol | CAS Registry Number: 1733-12-6
Synonyms: o-Cresol Red, Cresol red, Cresolsulfophthalein, o-Cresolsulfonephthalein, o-Cresolsulfonphthalein, NSC7224, AIDS030023, 3',3''-Dimethylphenolsulfonephthalein, AIDS-030023, NSC 7224, EINECS 217-064-2, ZINC03860916, ST5308017, o-Cresol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide, 3,3-Bis(4-hydroxy-3-methylphenyl)benzo[c]1,2-oxathiolene-1,1-dione, o-Cresol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide (8CI), Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-methyl-, Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-, S,S-dioxide, Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-methyl-, S,S-dioxide (9CI), 32210-84-7

Molecular Formula:	C₂₁H₁₈O₅S	Molecular Weight:	382.429620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: OBRMNDMBJQTZHV-UHFFFAOYSA-N

• Cyanourea Sodium Salt

IUPAC Name: cyanourea | CAS Registry Number: 76989-89-4
Synonyms: Cyanourea, Cyanourea, monosodium salt, CID75161, EINECS 218-633-8, EINECS 278-584-3, ZINC05227344, ZINC06661263, 2208-89-1

Molecular Formula:	C₂H₃N₃O	Molecular Weight:	85.064720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: GIVGDJZVMHYWDM-UHFFFAOYSA-N

• Cyclohexaformyl Chloride

IUPAC Name: cyclohexanecarbonyl chloride | CAS Registry Number: 2719-27-9
Synonyms: Chlorocarbonylcyclohexane, Cyclohexanecarbonyl chloride, Cyclohexanoyl chloride, Hexahydrobenzoyl chloride, Cyclohexylcarbonyl chloride, 156965_ALDRICH, CID75938, NSC85181, EINECS 220-322-7, NSC 85181, ZINC01752310, ST5214058, 98-88-4

Molecular Formula:	C₇H₁₁ClO	Molecular Weight:	146.614640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: RVOJTCZRIKWHDX-UHFFFAOYSA-N

• Cyclohexanedimethanol Dibenzoate

• Cyclopentyl Chloride

IUPAC Name: chlorocyclopentane | CAS Registry Number: 930-28-9
Synonyms: Chlorocyclopentane, Cyclopentane, chloro-, Cyclopentyl chloride, sFpHADILimUP@, 155136_ALDRICH, 24190_FLUKA, NSC16930, EINECS 213-212-5, AI3-23449, InChI=1/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H

Molecular Formula:	C₅H₉Cl	Molecular Weight:	104.577960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: NDTCXABJQNJPCF-UHFFFAOYSA-N

• Cysteamine Hydrochloride

IUPAC Name: 2-aminoethanethiol hydrochloride | CAS Registry Number: 156-57-0
Synonyms: Cysteamine hydrochloride, 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

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

InChIKey: OGMADIBCHLQMIP-UHFFFAOYSA-N

• Di Methyl Phthalate (DMP)

IUPAC Name: dimethyl benzene-1,2-dicarboxylate | CAS Registry Number: 131-11-3
Synonyms: Dimethyl phthalate, Solvarone, Solvanom, Fermine, Avolin, Mipax, Palatinol M, Repeftal, Unimoll DM, Dimethyl o-phthalate, Methyl phthalate, Caswell No. 380, DIMETHYLPHTHALATE, DMF (insect repellant), DMF, insect repellent, Phthalsaeuredimethylester, RCRA waste no. U102, Phthalic acid, dimethyl ester, RCRA waste number U102, Phthalic acid dimethyl ester

Molecular Formula:	C₁₀H₁₀O₄	Molecular Weight:	194.184000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: NIQCNGHVCWTJSM-UHFFFAOYSA-N

• Di Octyl Adipate

IUPAC Name: bis(2-ethylhexyl) hexanedioate | CAS Registry Number: 103-23-1
Synonyms: Dioctyl adipate, Octyl adipate, Plastomoll DOA, Vestinol OA, Bisoflex DOA, Effomoll DOA, Kodaflex DOA, Monoplex DOA, Truflex DOA, Staflex doa, Uniflex doa, Reomol doa, Lankroflex DOA, Sansocizer DOA, Di(2-ethylhexyl)adipate, Effomoll DA, Plasthall DOA, Adipol 2EH, Crodamol DOA, Ergoplast ADDO

Molecular Formula:	C₂₂H₄₂O₄	Molecular Weight:	370.566480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: SAOKZLXYCUGLFA-UHFFFAOYSA-N