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• N-Sulfo-glucosamine potassium salt

IUPAC Name: potassium;N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamate | CAS Registry Number: 31284-96-5
Synonyms: UNII-BWD7N48R1I, Potassium N-sulfoglucosamine, Glucosamine N-sulfate potassium salt, AKOS016009807, AK114164, Potassium 2-deoxy-2-sulfoamino-D-glucose, D-Glucose, 2-deoxy-2-(sulfoamino)-, monopotassium salt, D-Glucose, 2-deoxy-2-(sulfoamino)-, potassium salt (1:1), Potassium ((2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)sulfamate

Molecular Formula:	C₆H₁₂KNO₈S	Molecular Weight:	297.324680 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: MFGZKIDFMGPIEM-BTVCFUMJSA-M

• N-Vanillylamine hydrochloride

IUPAC Name: 4-(aminomethyl)-2-methoxyphenol hydrochloride | CAS Registry Number: 7149-10-2
Synonyms: Vanillylamine hydrochloride, H36605_ALDRICH, EINECS 230-468-3, NSC 62020, SBB003667, 4-HYDROXY-3-METHOXYBENZYLAMINE HCl, 4-Aminomethyl-2-methoxyphenol hydrochloride, 4-Hydroxy-3-methoxybenzylamine hydrochloride, 1196-92-5

Molecular Formula:	C₈H₁₂ClNO₂	Molecular Weight:	189.639380 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: PUDMGOSXPCMUJZ-UHFFFAOYSA-N

• N2-Acetyl-9-[(2'-acetoxyethoxy)methyl]guanine

IUPAC Name: 2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]ethyl acetate | CAS Registry Number: 75128-73-3
Synonyms: MLS000030665, EINECS 278-077-7, ZINC01800215, BAS 00485784, SMR000009008, ST5231886, TL8006655, EU-0034978, 9-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine, Acetic acid 2-(2-acetylamino-6-oxo-1,6-dihydro-purin-9-ylmethoxy)-ethyl ester, 2-((2-Acetamido-6,9-dihydro-6-oxo-1H-purin-9-yl)methoxy)ethyl acetate

Molecular Formula:	C₁₂H₁₅N₅O₅	Molecular Weight:	309.278000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: VBHLKZHSCMQLTI-UHFFFAOYSA-N

• N4-Acetylcytidine

IUPAC Name: N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide | CAS Registry Number: 3768-18-1
Synonyms: N-Acetylcytidine, Cytidine, N-acetyl-, A7766_SIGMA, EINECS 223-195-6, BTB 14110, ZINC04321512, 4-Acetyl-1-(beta-D-ribofuranosyl)cytosine, TL8002770

Molecular Formula:	C₁₁H₁₅N₃O₆	Molecular Weight:	285.253300 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: NIDVTARKFBZMOT-PEBGCTIMSA-N

• N4-Acetylcytosine

IUPAC Name: N-(2-oxo-1H-pyrimidin-6-yl)acetamide | CAS Registry Number: 14631-20-0
Synonyms: N-Acetylcytosine, 377910_ALDRICH, ZINC00154522, CID99309, NSC210403, TL8001023, Acetamide, N-(1,2-dihydro-2-oxo-4-pyrimidinyl)-

Molecular Formula:	C₆H₇N₃O₂	Molecular Weight:	153.138680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: IJCKBIINTQEGLY-UHFFFAOYSA-N

• Naftifine hydrochloride

IUPAC Name: (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine hydrochloride | CAS Registry Number: 65473-14-5
Synonyms: Naftin, Exoderil, Naftifungin, Naftifin, Suadian, Mixture Name, NAFTIFINE HYDROCHLORIDE, Naftin (TN), Ambap4985, C21H21N.HCl, Naftifine hydrochloride [USAN], MLS002154136, Naftifine hydrochloride (USP), naftifin hydrochloride, (E)-isomer, AW 105843, SN 105843, AW 105-843, SMR001233443, LS-176455, SN-105843

Molecular Formula:	C₂₁H₂₂ClN	Molecular Weight:	323.859080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: OLUNPKFOFGZHRT-YGCVIUNWSA-N

• Naltrexone HCL

Synonyms: Trexan, ReVia, Naltrexone hydrochloride, Antaxone, Vivitrex, Vivitrol, Celupan, Nalorex, Naltrel, Nemexin, Depade, Naltrexone Hcl, Naltrexone Depot, Prestwick_348, ReVia (TN), CCRIS 1168, C20H23NO4.HCl, En 1639A, Naltrexone hydrochloride [USAN], MLS000069607

Molecular Formula:	C₂₀H₂₄ClNO₄	Molecular Weight:	377.861860 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: RHBRMCOKKKZVRY-ITLPAZOVSA-N

• Nandrolone Decanoate

IUPAC Name: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] decanoate | CAS Registry Number: 360-70-3
Synonyms: Retabolil, Deca-Durabolin, naboline, Deca-Hybolin, Decadurabolin, Decadurobolin, Adenocorin, Salistoperm, Superbolan, Anabolin, Axedanin, Dimapolan, Palactin, Retabolyl, Rougerol, Ziremilon, Anaboline Depot, Anabolin Depot, ndrolone-D, Deca-Durabol

Molecular Formula:	C₂₈H₄₄O₃	Molecular Weight:	428.647160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: JKWKMORAXJQQSR-MOPIKTETSA-N

• Nandrolone(Phenylpropionate)

IUPAC Name: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate | CAS Registry Number: 62-90-8
Synonyms: Durabolin, Nandrolin, nandrolone, Superanabolon, Phenobolin, Fenobolin, Nerobolil, Nerobil, NTPP, Nandrolone phenpropionate, 19Ntpp, Durabolin (TN), nandrolone phenylpropionate, Nadrolone phenylpropionate, Nandrolon phenylpropionate, Nandrolone Phenylpionate, Norandrolone phenyl propionate, Nortestosterone phenylpropionate, Norandrostenolone phenylpropionate, Norandrolone phenylpropionate

Molecular Formula:	C₂₇H₃₄O₃	Molecular Weight:	406.557060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UBWXUGDQUBIEIZ-QNTYDACNSA-N

• Native Starch

• Nefiracetam

IUPAC Name: N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide | CAS Registry Number: 77191-36-7
Synonyms: Translon, Motiva, Nefiracetam [INN], DMPPA, Nefiracetamum [INN-Latin], CCRIS 6729, DZL-221, C14H18N2O2, CID71157, DM 9384, DM-9384, BRN 6848330, 2-Oxo-1-pyrrolidineaceto-2',6'-xylidide, LS-7539, N-(2,6-Dimethylphenyl)-2-oxo-1-pyrrolidineacetamide, 1-Pyrrolidineacetamide, N-(2,6-dimethylphenyl)-2-oxo-, N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide, N-(2,6-dimethylphenyl)-2-(2-oxo-1-pyrrolidinyl)acetamide

Molecular Formula:	C₁₄H₁₈N₂O₂	Molecular Weight:	246.304920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NGHTXZCKLWZPGK-UHFFFAOYSA-N

• nelarabine

IUPAC Name: (3S,4S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 121032-29-9
Synonyms: Nelarabine, Nelzarabine, Arranon, Nelarabine [USAN], Nelzarabine [USAN], GW 506U78, C11H15N5O5, 506U, 506U78, LS-172477, 9beta-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine, 9H-Purin-2-amine, 9beta-D-arabinofuranosyl-6-methyl-, 9-beta-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine, 2-Amino-9-beta-D-arabinofuranosyl-6-methoxy-9H-purine, U78

Molecular Formula:	C₁₁H₁₅N₅O₅	Molecular Weight:	297.267300 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: IXOXBSCIXZEQEQ-KBNQYOMWSA-N

• Neomycin Sulphate

IUPAC Name: 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[(2S,4R,5R)-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol; sulfuric acid | CAS Registry Number: 1405-10-3
Synonyms: Prestwick_510, NEOMYCIN SULFATE

Molecular Formula:	C₂₃H₅₂N₆O₂₅S₃	Molecular Weight:	908.879180 [g/mol]
H-Bond Donor:	19	H-Bond Acceptor:	31

InChIKey: KWBUARAINLGYMG-BNAHOEIWSA-N

• Neostigmine Bromide

IUPAC Name: [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide | CAS Registry Number: 114-80-7
Synonyms: neostigmine bromide, neo-Proserin, bromide, Vagostigmin, Eustigmin bromide, Neoserine bromide, Proserine bromide, Stigmanol bromide, Stigmosan bromide, Prostigmin bromide, Synstigmin bromide, Neo proserine, Leostigmine bromide, Prostigmine bromide, Kirkstigmine bromide, Philostigmin bromide, Synstigmini bromidum, Syntostigmin bromide, Vagostigmine bromide, Syntostigmine bromide

Molecular Formula:	C₁₂H₁₉BrN₂O₂	Molecular Weight:	303.195460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LULNWZDBKTWDGK-UHFFFAOYSA-M

• Nicotinamide Adenine Dinucleotide

IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate | CAS Registry Number: 53-84-9
Synonyms: nadide, coenzyme I, Codehydrase I, Enzopride, Cozymase I, Codehydrogenase I, beta-NAD, beta-NAD+, NAD zwitterion, diphosphopyridine nucleotide, beta-DPN, NAD+, DPN-ox, Nadidum [INN-Latin], Nadida [INN-Spanish], Nicotinamide dinucleotide, CO-I, DPN+, CO-1, nicotinamide adenine dinucleotide

Molecular Formula:	C₂₁H₂₇N₇O₁₄P₂	Molecular Weight:	663.425102 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	19

InChIKey: BAWFJGJZGIEFAR-NNYOXOHSSA-N

• Nifedipine

IUPAC Name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 21829-25-4
Synonyms: nifedipine, Procardia, Corinfar, Adalat, Cordipin, Procardia XL, Fenihidine, Fenihidin, Citilat, Oxcord, Adalat CC, Cordipine, Fenigidin, Korinfar, Nifangin, Adalate, Dignokonstant, Cardionorm, Chronadalate, Adapress

Molecular Formula:	C₁₇H₁₈N₂O₆	Molecular Weight:	346.334620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: HYIMSNHJOBLJNT-UHFFFAOYSA-N

• Nilvadipine

IUPAC Name: 3-O-methyl 5-O-propan-2-yl 2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 75530-68-6
Synonyms: nilvadipine, Nivadil, Nivadipine, Escor, Nilvadipinum [Latin], Nilvadipino [Spanish], Nivadil (TN), Nilvadipine [USAN:INN:JAN], Nilvadipine (JP15/USAN/INN), FK 235, C19H19N3O6, BRN 3572609, FK-235, FR 34235, FR-34235, SK&F 102,362, SK&F-102362, CL 287,389, NCGC00167435-01, CL-287389

Molecular Formula:	C₁₉H₁₉N₃O₆	Molecular Weight:	385.370660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: FAIIFDPAEUKBEP-UHFFFAOYSA-N

• Nipasol M

IUPAC Name: propyl 4-hydroxybenzoate | CAS Registry Number: 94-13-3
Synonyms: PROPYLPARABEN, Nipazol, Propyl paraben, Propylparasept, Parasept, Paseptol, Propagin, Nipasol, Paraben, Betacide P, Nipasol P, Chemacide pk, Chemocide pk, Propyl Parasept, Aseptoform P, Propyl Butex, Preserval P, Propyl Chemosept, Betacine P, Protaben P

Molecular Formula:	C₁₀H₁₂O₃	Molecular Weight:	180.200480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QELSKZZBTMNZEB-UHFFFAOYSA-N

• Nomegestrol 17-acetate

IUPAC Name: [(8S,9S,10R,13S,14S,17R)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate | CAS Registry Number: 58652-20-3
Synonyms: Nomegestrol acetate, Uniplant, Lutenyl, NOMAC, Prestwick3_001033, BSPBio_001245, MLS002154113, BPBio1_001370, EINECS 261-379-8, TX 066, CID91668, TX-066, ZINC03938628, ORG-10486-0, NCGC00179247-01, LS-97336, SMR001233420, AB00514012, BRD-K27351809-001-02-0, 17-alpha-Acetoxy-6-methyl-19-nor-4,6-pregnadiene-3,20-dione

Molecular Formula:	C₂₃H₃₀O₄	Molecular Weight:	370.481900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IIVBFTNIGYRNQY-YQLZSBIMSA-N

• Non-Dairy Creamer

• O-(1H-Benzotriazol-1-yl)-N,N,N,N,-Tetramethyluronium Tetrafluoroborate (TBT)

IUPAC Name: [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium; boron(3+); tetrafluoride | CAS Registry Number: 125700-67-6
Synonyms: Btttfb, CID130499, Benzotriazol-1-yl-tetramethyluronium tetrafluoroborate, (1H-Benzotriazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate, Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, tetrafluoroborate(1-)

Molecular Formula:	C₁₁H₁₆BF₄N₅O	Molecular Weight:	321.082253 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	9

InChIKey: SHGLJDNRZIDILW-UHFFFAOYSA-J

• o-Benzylhydroxylamine Hydrochloride

IUPAC Name: O-(phenylmethyl)hydroxylamine | CAS Registry Number: 2687-43-6
Synonyms: Benzyloxyamine, O-Benzylhydroxylamine, Oxyamine deriv., Hydroxylamine, O-benzyl-, Hydroxylamine, o-(phenylmethyl)-, O-(Phenylmethyl)hydroxylamine, AIDS057925, AIDS-057925, CID102313, ZINC00155377, NCGC00166093-01, 622-33-3

Molecular Formula:	C₇H₉NO	Molecular Weight:	123.152460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XYEOALKITRFCJJ-UHFFFAOYSA-N

• o-Bromoanisole

IUPAC Name: 1-bromo-2-methoxybenzene | CAS Registry Number: 578-57-4
Synonyms: 2-Bromoanisole, Anisole, o-bromo-, o-Anisyl bromide, o-Methoxybromobenzene, 2-Methoxybromobenzene, o-Methoxyphenyl bromide, 2-Methoxyphenyl bromide, Benzene, 1-bromo-2-methoxy-, 2-Bromo-1-methoxybenzene, o-Bromophenyl methyl ether, 1-BROMO-2-METHOXYBENZENE, 159239_ALDRICH, NSC 6977, 16250_FLUKA, EINECS 209-425-8, NSC6977, BRN 1859996, ZINC00164469, AI3-01057, LS-20205

Molecular Formula:	C₇H₇BrO	Molecular Weight:	187.033880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HTDQSWDEWGSAMN-UHFFFAOYSA-N

• O-Diaminobenzene

IUPAC Name: benzene-1,2-diamine | CAS Registry Number: 95-54-5
Synonyms: 1,2-Benzenediamine, O-PHENYLENEDIAMINE, Orthamine, 2-Aminoaniline, o-Benzenediamine, o-Diaminobenzene, 1,2-Diaminobenzene, 1,2-Phenylenediamine, OPDA, PODA, o-Phenylene diamine, benzene-1,2-diamine, 2-Phenylene diamine, 2-aminophenylamine, CI Oxidation Base 16, Phenylenediamine, ortho-, o-Fenylendiamin [Czech], C.I. Oxidation Base 16, phenylene-1,2-dimaine, 1,2-Fenylendiamin [Czech]

Molecular Formula:	C₆H₈N₂	Molecular Weight:	108.141120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: GEYOCULIXLDCMW-UHFFFAOYSA-N

• O-Fluorobenzyl Chloride

IUPAC Name: 1-(chloromethyl)-2-fluorobenzene | CAS Registry Number: 345-35-7
Synonyms: 2-Fluorobenzyl chloride, O-FLUOROBENZYL CHLORIDE, alpha-Chloro-2-fluorotoluene, alpha-Chloro-o-fluorotoluene, F7601_ALDRICH, NCIOpen2_001365, Benzene, 1-(chloromethyl)-2-fluoro-, .alpha.-Chloro-o-fluorotoluene, 1-(Chloromethyl)-2-fluorobenzene, 1-Chloromethyl-2-fluorobenzene, .alpha.-Chloro-2-fluorotoluene, 46810_FLUKA, Toluene, alpha-chloro-o-fluoro-, NSC88295, Toluene, .alpha.-chloro-o-fluoro-, EINECS 206-460-0, NSC 88295, ZINC00164432, F148, ST5214000

Molecular Formula:	C₇H₆ClF	Molecular Weight:	144.573943 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: MOBRMRJUKNQBMY-UHFFFAOYSA-N

• O-Nitrobenzaldehyde

IUPAC Name: 2-nitrobenzaldehyde | CAS Registry Number: 552-89-6
Synonyms: o-Nitrobenzaldehyde, 2-NITROBENZALDEHYDE, Benzaldehyde, 2-nitro-, Benzaldehyde, o-nitro-, ortho-nitrobenzaldehyde, CCRIS 2322, N10802_ALDRICH, CID11101, NSC 5713, 72780_FLUKA, EINECS 209-025-3, NSC5713, CPD-9059, ZINC00164601, AI3-02415, LS-25109, ST5213342, AH-214/25003638, C043850, InChI=1/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5

Molecular Formula:	C₇H₅NO₃	Molecular Weight:	151.119500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: CMWKITSNTDAEDT-UHFFFAOYSA-N

• O-Toluene Sulphonamide

IUPAC Name: 2-methylbenzenesulfonamide | CAS Registry Number: 88-19-7
Synonyms: 2-Methylbenzenesulfonamide, O-TOLUENESULFONAMIDE, 2-methylbenzene-1-sulfonamide, 2-Toluenesulfonamide, o-Methylbenzenesulfonamide, Toluene-2-sulfonamide, Benzenesulfonamide, 2-methyl-, Toluene-2-sulphonamide, ortho-Toluenesulfonamide, 2-Tolylsulfonamide, TOLUENESULFONAMIDE, ortho-Toluenesulphonamide, Santicizer 9, Ortho-toluol-sulfonamid, p/m-Toluene sulfonamide, NSC 2185, 1333-07-9, 2(or 4)-Toluenesulfonamide, o-(Or p)-toluenesulphonamide, UNII-R81Z6V889P

Molecular Formula:	C₇H₉NO₂S	Molecular Weight:	171.216860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YCMLQMDWSXFTIF-UHFFFAOYSA-N

• Octadecyl Bromide

IUPAC Name: 1-bromooctadecane | CAS Registry Number: 112-89-0
Synonyms: Stearyl bromide, Octadecyl bromide, n-Octadecyl bromide, Octadecane, 1-bromo-, 1-BROMOOCTADECANE, OCTADECANE,1-BROMO, 199494_ALDRICH, NSC5542, NSC 5542, EINECS 204-013-4, AI3-00994, ST5410256, InChI=1/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H

Molecular Formula:	C₁₈H₃₇Br	Molecular Weight:	333.390380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: WSULSMOGMLRGKU-UHFFFAOYSA-N

• OCTOPAMINE HCL (CAS: 77-05-8)

• Octopamine Hydrochloride

IUPAC Name: 4-(2-amino-1-hydroxyethyl)phenol hydrochloride | CAS Registry Number: 770-05-8
Synonyms: Octopamine HCL, Stagural, Octopamine hydrochloride, Ambap4699, dl-Octopamine hydrochloride, dl-Epirenor hydrochloride, ()-Octopamine hydrochloride, D,L-Octopamine hydrochloride, (?)-Octopamine hydrochloride, MLS000028414, O0250_SIGMA, SPECTRUM1500639, Octopamine DL-form hydrochloride, 74980_FLUKA, (.+-.)-Octopamine hydrochloride, EINECS 212-216-4, NSC108685, NCGC00091918-01, NCGC00091918-02, NCGC00094241-01

Molecular Formula:	C₈H₁₂ClNO₂	Molecular Weight:	189.639380 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	3

InChIKey: PUMZXCBVHLCWQG-UHFFFAOYSA-N

• Octylonium bromide

IUPAC Name: diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide | CAS Registry Number: 26095-59-0
Synonyms: Octylonium, Spasmomen, Otilonium Bromide, Ottilonio bromuro [Italian], Otilonium bromide (INN), Otilonii bromidum [INN-Latin], SP63, Otilonium bromide [BAN:INN], Otilonium bromide [INN:BAN], C29H43N2O4.Br, Bromure d'otilonium [INN-French], Bromuro de otilonio [INN-Spanish], EINECS 247-457-4, LS-17432, D07083, Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, p-(o-(octyloxy)benzamido)benzoate, Diethyl(2-hydroxyethyl)methylammonium bromide p-(o-(octyloxy)benzamido)-benzoate, Diethyl(2-hydroxyethyl)methylammonium bromide p-(o-(octyloxy)benzamido)benzoate, Ethanaminium, N,N-diethyl-N-methyl-2-((4-((2-(octyloxy)benzoyl)amino)benzoyl)oxy)-, bromide, N-diethylmethylammoniummethyl-p-(2-(N-octyloxy)benzoyl)aminobenzoate bromide

Molecular Formula:	C₂₉H₄₃BrN₂O₄	Molecular Weight:	563.566720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: VWZPIJGXYWHBOW-UHFFFAOYSA-N

• Orazamide

IUPAC Name: 4-amino-1H-imidazole-5-carboxamide; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid | CAS Registry Number: 60104-30-5
Synonyms: Orazamidum, Aicamine, Orazamida, Aicamin, Aicorat Dragees, Aica-hepat, Orazamid-2-wasser, Orazamide [INN:DCF], 5-Aminoimidazol-4-carboxamid-orotat-2-wasser, 5-Aminoimidazole-4-carboxamide orotate-2-wasser, 1H-Imidazole-4-carboxamide, 5-amino-, mono(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate), dihydrate, 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, compd. with 5-amino-1H-imidazole-4-carboxamide (1:1), dihydrate

Molecular Formula:	C₉H₁₀N₆O₅	Molecular Weight:	282.212900 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: PVCSUEOGEIOUHG-UHFFFAOYSA-N

• Orcinol anhydrous

IUPAC Name: 5-methylbenzene-1,3-diol | CAS Registry Number: 504-15-4
Synonyms: Orcinol, 3,5-Dihydroxytoluene, Orcin, 3,5-Toluenediol, 5-Methylresorcin, 5-METHYLRESORCINOL, 5-Methyl-1,3-benzenediol, Resorcinol, 5-methyl-, Orcinol monohydrate, 3-Hydroxy-5-methylphenol, resorcinol monohydrate, ORCINOL-CPD, 1,3-Benzenediol, 5-methyl-, 1,3-Dihydroxy-5-methylbenzene, 5-methylbenzene-1,3-diol, Orcinol, 5-methylresorcinol, WLN: QR CQ E1, 447420_ALDRICH, O1875_SIAL, O8208_SIAL

Molecular Formula:	C₇H₈O₂	Molecular Weight:	124.137220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: OIPPWFOQEKKFEE-UHFFFAOYSA-N

• Orotic Acid

IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid | CAS Registry Number: 65-86-1
Synonyms: Orotic acid, 6-Carboxyuracil, Orodin, Oropur, Orotonsan, Orotonin, Oroturic, Orotyl, orotate, Whey factor, Molkensaeure, Orotsaeure, Lactinium, Vitamin B13, oleic acid, Animal galactose factor, Uracil-6-carbosaeure, 6-Uracilcarboxylic acid, Orotsaeure [German], Uracil-6-carboxylic acid

Molecular Formula:	C₅H₄N₂O₄	Molecular Weight:	156.096260 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: PXQPEWDEAKTCGB-UHFFFAOYSA-N

• Otilonium bromide

IUPAC Name: diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium

Molecular Formula:	C₂₉H₄₃N₂O₄+	Molecular Weight:	483.662720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: NQHNLNLJPDMBFN-UHFFFAOYSA-O

• Oxacillin Sodium

IUPAC Name: sodium (2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate | CAS Registry Number: 7240-38-2
Synonyms: Bactocill, Bactocill (TN), OXACILLIN SODIUM, Oxacillin sodium hydrate, oxacillin sodium monohydrate, Oxacillin sodium (JAN/USP), Oxacillin sodium salt monohydrate, 46589_RIEDEL, CHEBI:7810, O1002_SIAL, CID441399, D00929, sodium 6beta-(5-methyl-3-phenylisoxazol-4-yl)penicillanate hydrate, sodium 2,2-dimethyl-6beta-(5-methyl-3-phenyl-1,2-oxazole-4-carboxamido)penam-3alpha-carboxylate--water (1/1)

Molecular Formula:	C₁₉H₂₀N₃NaO₆S	Molecular Weight:	441.433370 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: ZVIYWUUZWWBNMB-VICXVTCVSA-M

• Oxamide

IUPAC Name: oxamide | CAS Registry Number: 471-46-5
Synonyms: Ethanediamide, Oxalamide, Oxamimidic acid, Diaminoglyoxal, OXAMIDE, Oxalic acid diamide, Ethanediamine, Oxamid, Oxamid [Czech], Amid kyseliny stavelove, WLN: ZVVZ, Formimidic acid, 1-carbamoyl-, 1-carbamoylformimidic acid, O9328_ALDRICH, Amid kyseliny stavelove [Czech], NSC 2770, 75770_FLUKA, CHEBI:48248, EINECS 207-442-5, NSC2770

Molecular Formula:	C₂H₄N₂O₂	Molecular Weight:	88.065360 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YIKSCQDJHCMVMK-UHFFFAOYSA-N

• Palladium Acetate

IUPAC Name: palladium(2+) diacetate | CAS Registry Number: 3375-31-3
Synonyms: Palladium diacetate, Bisacetylpalladium, Diacetatopalladium, Diacetoxypalladium, Palladous acetate, Palladium acetate, Bis(acetato)palladium, Palladium(II) acetate, Palladium(2+) acetate, Acetic acid palladium salt, Acetic acid, palladium salt, Acetic acid, palladium(2+) salt, EINECS 222-164-4, EINECS 243-333-9, LS-12687, TL8002538, 125089-63-6, 138823-54-8, 19807-27-3, 24175-85-7

Molecular Formula:	C₄H₆O₄Pd	Molecular Weight:	224.508040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: YJVFFLUZDVXJQI-UHFFFAOYSA-L

• Pancreatin (CAS: 8049-47-6)

• Para Nitro Benzyl Bromide

IUPAC Name: 1-(bromomethyl)-4-nitrobenzene | CAS Registry Number: 100-11-8
Synonyms: Nitrobenzyl bromide, p-Nitrobenzyl bromide, 4-Nitrobenzyl bromide, alpha-Bromo-4-nitrotoluene, p-(Bromomethyl)nitrobenzene, alpha-Bromoparanitrotoluene, alpha-Bromo-p-nitrotoluene, Benzene, 1-(bromomethyl)-4-nitro-, 4-(Bromomethyl)nitrobenzene, 1-(Bromomethyl)-4-nitrobenzene, Toluene, alpha-bromo-p-nitro-, CCRIS 7961, Toluene, .alpha.-bromo-p-nitro-, Toluene, alpha-bromo-4-nitro-, .alpha.-Bromo-p-nitrotoluene, .alpha.-Bromoparanitrotoluene, N13054_ALDRICH, .alpha.-Bromo-4-nitrotoluene, NSC 4609, EINECS 202-820-6

Molecular Formula:	C₇H₆BrNO₂	Molecular Weight:	216.032040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VOLRSQPSJGXRNJ-UHFFFAOYSA-N

• Parahydroxy Phenyl Acetic Acid

IUPAC Name: 2-(4-hydroxyphenyl)acetic acid | CAS Registry Number: 156-38-7
Synonyms: 4-hydroxyphenylacetate, 4-hydroxyphenylacetic acid, 3pcg, p-hydroxyphenylacetic acid, (4-Hydroxyphenyl)acetic acid, 4-Carboxymethylphenol, benzeneacetic acid, 4-hydroxy-, 4-Hydroxybenzeneacetic acid, Parahydroxy phenylacetic acid, (p-Hydroxyphenyl)acetic acid, Acetic acid, (p-hydroxyphenyl)-, 1ai6, 4-Hydroxyphenyl acetate, ChemDiv3_005483, p-Hydroxyphenyl acetic acid, 4-HPA, H50004_ALDRICH, MLS001066398, DL-para-hydroxyphenylacetic acid, 56140_FLUKA

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

InChIKey: XQXPVVBIMDBYFF-UHFFFAOYSA-N

• Pazopanib

IUPAC Name: 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide | CAS Registry Number: 444731-52-6
Synonyms: GW786034, UNII-7RN5DR86CK, CHEBI:71219, NCGC00188865-01, GW 78603, Pazopanib [INN], DSSTox_CID_28659, DSSTox_RID_82929, DSSTox_GSID_48733, 790713-33-6, Kinome_3790, CHEMBL477772, 5-(4-((2,3-dimethyl-2H-indazol-6-yl)(methyl)amino)pyrimidin-2-ylamino)-2-methylbenzenesulfonamide, 5-[[4-[(2,3-Dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide, Benzenesulfonamide, 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-, CAS-444731-52-6, AKOS005145819, 5-[[4-[(2,3-dimethylindazol-6-yl)-methyl-amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide, ST51053493, pazopanibum

Molecular Formula:	C₂₁H₂₃N₇O₂S	Molecular Weight:	437.518020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: CUIHSIWYWATEQL-UHFFFAOYSA-N

• Pazufloxacin Mesilate

Synonyms: Pazufloxacin mesylate, Pasil, Pazufloxacin methanesulfonate, Pazufloxacin mesilate, Pazucross, T 3762, Pasil (TN), PASIL MESYLATE, PAZUCROSS MESYLATE, Pazufloxaxin methanesulfonate, UNII-2XI226J1HS, Pazufloxacin mesilate (JAN), PAZUFLOXACINBETAMESYLATE, CTK8B3563, C16H15FN2O4.CH4O3S, MolPort-003-986-498, HMS3264I18, Pharmakon1600-01502319, ANW-42739, NSC759831

Molecular Formula:	C₁₇H₁₉FN₂O₇S	Molecular Weight:	414.405363 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	10

InChIKey: UDHGFPATQWQARM-FJXQXJEOSA-N

• Pemirolast Potassium

IUPAC Name: potassium 9-methyl-3-(2,3,4-triaza-5-azanida-1-yl)pyrido[1,2-a]pyrimidin-4-one | CAS Registry Number: 100299-08-9
Synonyms: Pemilaston, Alamast, Alegysal, Pemilaston (TN), Alegysal (TN), PEMIROLAST POTASSIUM, Alamast (TN), Pemirolast potassium salt, TBX, Pemirolast Potassium, CCRIS 3562, Pemirolast potassium [USAN:JAN], C10H9N6O.K, BMY 26517, Pemirolast potassium (JAN/USAN), TWT-8152, BMY-26517, DE-068, LS-134189, D01088, TBX

Molecular Formula:	C₁₀H₇KN₆O	Molecular Weight:	266.300480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: NMMVKSMGBDRONO-UHFFFAOYSA-N

• Penicillin V, Potassium Salt

IUPAC Name: potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 132-98-9
Synonyms: Veetids, Antibiocin, Pencompren, Primcillin, Roscopenin, Beromycin, Fenoxypen, Isocillin, Ispenoral, Kavepenin, Ospeneff, Penvikal, Arcacil, Arcasin, Cliacil, Pedipen, Penagen, Icipen, Orapen, Suspen

Molecular Formula:	C₁₆H₁₇KN₂O₅S	Molecular Weight:	388.479880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: HCTVWSOKIJULET-LQDWTQKMSA-M

• Pentafluorophenol

IUPAC Name: 2,3,4,5,6-pentafluorophenol | CAS Registry Number: 771-61-9
Synonyms: PENTAFLUOROPHENOL, Phenol, pentafluoro-, 2,3,4,5,6-Pentafluorophenol, Ambap5764, Potassium pentafluorophenolate, 103799_ALDRICH, 442745_SUPELCO, EINECS 212-235-8, NSC 21627, CID13041, NSC21627, Phenol, pentafluoro-, potassium salt, ZINC01583742, P110, LS-105036, TL8005301, 4615-85-4

Molecular Formula:	C₆HF₅O	Molecular Weight:	184.063556 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: XBNGYFFABRKICK-UHFFFAOYSA-N

• Perospirine

IUPAC Name: (3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione | CAS Registry Number: 150915-41-6
Synonyms: Perospirone, Lullan, Perospirone [INN], MLS000759479, NCGC00164567-01, SMR000466362, cis-N-(4-(4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl)butyl)-1,2-cyclohexanedicarboximide, 1H-Isoindole-1,3(2H)-dione, 2-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)hexahydro-, (3aR,7aS)-rel-, 1H-Isoindole-1,3(2H)-dione, 2-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)hexahydro-, cis-

Molecular Formula:	C₂₃H₃₀N₄O₂S	Molecular Weight:	426.574900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: FBVFZWUMDDXLLG-HDICACEKSA-N

• Phenacetin

IUPAC Name: N-(4-ethoxyphenyl)acetamide | CAS Registry Number: 62-44-2
Synonyms: phenacetin, Acetophenetidin, Acetophenetin, Acetophenetidine, Acetphenetidin, p-Acetophenetidide, Phenacetine, Phenacitin, Phenazetin, Phenedina, Fenidina, Pertonal, Phenacet, Phenidin, Pyraphen, Fenina, Kalmin, Phenin, Contradouleur, p-Acetophenetide

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

InChIKey: CPJSUEIXXCENMM-UHFFFAOYSA-N

• Phenazepam

IUPAC Name: 7-bromo-5-(2-chloro-3,4,5,6-tetradeuteriophenyl)-9-deuterio-1,3-dihydro-1,4-benzodiazepin-2-one

Molecular Formula:	C₁₅H₁₀BrClN₂O	Molecular Weight:	354.640509 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CGMJQQJSWIRRRL-SNOLXCFTSA-N

• Phenobarbitone

IUPAC Name: 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione | CAS Registry Number: 50-06-6
Synonyms: phenobarbital, Phenobarbitol, Luminal, Fenobarbital, Adonal, Nunol, Aphenylbarbit, Lumofridetten, Aphenyletten, Barbiphenyl, Codibarbita, Coronaletta, Dezibarbitur, Glysoletten, Hennoletten, Hypnaletten, Lepinaletten, Phenobarbyl, Phenyletten, Somnoletten

Molecular Formula:	C₁₂H₁₂N₂O₃	Molecular Weight:	232.235280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DDBREPKUVSBGFI-UHFFFAOYSA-N