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• Benzeneacetyl Chloride

IUPAC Name: 2-phenylacetyl chloride | CAS Registry Number: 103-80-0
Synonyms: Benzeneacetyl chloride, PHENYLACETYL CHLORIDE, Acetyl chloride, phenyl-, P16753_ALDRICH, 77830_FLUKA, EINECS 203-146-5, CID7679, UN2577, ZINC02041141, AI3-23871, LS-188101, ST5214049, Phenylacetyl chloride [UN2577] [Corrosive], Phenylacetyl chloride [UN2577] [Corrosive], InChI=1/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H

Molecular Formula:	C₈H₇ClO	Molecular Weight:	154.593580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: VMZCDNSFRSVYKQ-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

• Cimetidine

IUPAC Name: (5-methyl-1H-imidazol-4-yl)methanol hydrochloride | CAS Registry Number: 38585-62-5
Synonyms: 227420_ALDRICH, EINECS 254-021-7, 4-Methylimidazol-5-ylmethanolhydrochloride, 4-Methyl-5-imidazolemethanol hydrochloride, T5614881

Molecular Formula:	C₅H₉ClN₂O	Molecular Weight:	148.590760 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: UBHDUFNPQJWPRQ-UHFFFAOYSA-N

• Cimetidine A

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

• 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

• Diethyl Carbamoyl Chloride

IUPAC Name: N,N-diethylcarbamoyl chloride | CAS Registry Number: 88-10-8
Synonyms: Diethylchloroformamide, Diethylcarbamyl chloride, Carbamic chloride, diethyl-, Carbamoyl chloride, diethyl-, Diethylcarbamic chloride, N,N-Diethylchloroformamide, DIETHYLCARBAMOYL CHLORIDE, N,N-Diethylcarbamoyl chloride, Carbamidoyl chloride, diethyl-, Chloroformic acid diethylamide, D91403_ALDRICH, HSDB 2657, WLN: GVN2&2, 32050_FLUKA, EINECS 201-798-5, NSC 223067, BRN 0506687, NSC223067, NSC512306, ZINC00388481

Molecular Formula:	C₅H₁₀ClNO	Molecular Weight:	135.592000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: OFCCYDUUBNUJIB-UHFFFAOYSA-N

• Diethyl Sulphate

IUPAC Name: diethyl sulfate | CAS Registry Number: 64-67-5
Synonyms: Diethyl sulfate, Ethyl sulfate, Diethyl sulphate, Diaethylsulfat, DIETHYLSULFATE, Sulfuric acid, diethyl ester, Diethyl Monosulfate, Diethyl tetraoxosulfate, Diaethylsulfat [German], DES (VAN), diethyl sulfate, tin salt, CCRIS 242, Sulfuric acid diethyl ester, WLN: 2OSWO2, HSDB 1636, D100706_ALDRICH, 320285_ALDRICH, C4H10O4S, EINECS 200-589-6, CID6163

Molecular Formula:	C₄H₁₀O₄S	Molecular Weight:	154.184800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: DENRZWYUOJLTMF-UHFFFAOYSA-N

• Dimethyl Carbamoyl Chloride

IUPAC Name: N,N-dimethylcarbamoyl chloride | CAS Registry Number: 79-44-7
Synonyms: Dimethylcarbamyl chloride, Dimethylcarbamic chloride, Carbamic chloride, dimethyl-, DMCC, Dimethylchloroformamide, Carbamoyl chloride, dimethyl-, Dimethylcarbamoylchloride, DIMETHYLCARBAMOYL CHLORIDE, Dimethylcarbamidoyl chloride, Dimethyl carbamoyl chloride, Dimethylcarbamic acid chloride, RCRA waste no. U097, N,N-Dimethylcarbamyl chloride, RCRA waste number U097, Chloroformic acid dimethylamide, N,N-Dimethylcarbamoyl chloride, Dimethyl carbamyl chloride, (Dimethylamino)carbonyl chloride, CCRIS 257, N,N-Dimethylcarbamidoyl chloride

Molecular Formula:	C₃H₆ClNO	Molecular Weight:	107.538840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: YIIMEMSDCNDGTB-UHFFFAOYSA-N

• L-Carnitine

IUPAC Name: (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate | CAS Registry Number: 541-15-1
Synonyms: L-carnitine, Levocarnitine, Carnitine, vitamin BT, Carnitor, (R)-Carnitine, (-)-Carnitine, Carnitene, Karnitin, bicarnesine, (-)-L-Carnitine, Carniking, Carnilean, Carnitolo, Carnovis, Carrier, Lefcar, Metina, (S)-carnitine, L-(-)-Carnitine

Molecular Formula:	C₇H₁₅NO₃	Molecular Weight:	161.198900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PHIQHXFUZVPYII-ZCFIWIBFSA-N

• Lutidine,2,3

IUPAC Name: 2,3-dimethylpyridine | CAS Registry Number: 583-61-9
Synonyms: 2,3-Lutidine, Pyridine, 2,3-dimethyl-, 2,3-DIMETHYLPYRIDINE, DIMETHYLPYRIDINE, 2,3-Lutidine (8CI), L3501_ALDRICH, NSC2157, NSC 2157, EINECS 209-514-1, EINECS 248-287-3, AI3-24280, InChI=1/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H, 27175-64-0

Molecular Formula:	C₇H₉N	Molecular Weight:	107.153060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HPYNZHMRTTWQTB-UHFFFAOYSA-N

• M-Chlorobenzoyl Chloride

IUPAC Name: 3-chlorobenzoyl chloride | CAS Registry Number: 618-46-2
Synonyms: m-Chlorobenzoyl chloride, 3-Chlorobenzoyl chloride, Benzoyl chloride, 3-chloro-, Benzoyl chloride, m-chloro-, C26801_ALDRICH, 23735_FLUKA, EINECS 210-552-6, NSC 41886, NSC41886, Benzoyl chloride, m-chloro- (8CI), ZINC03860261, LS-188176, TL8003960

Molecular Formula:	C₇H₄Cl₂O	Molecular Weight:	175.012060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WHIHIKVIWVIIER-UHFFFAOYSA-N

• m-Chlorophenylacetic Acid

IUPAC Name: 2-(3-chlorophenyl)acetic acid | CAS Registry Number: 1878-65-5
Synonyms: m-Chlorophenylacetic acid, 3-CHLOROPHENYLACETIC ACID, 3-Chlorobenzeneacetic acid, (m-Chlorophenyl)acetic acid, C63359_ALDRICH, Benzeneacetic acid, 3-chloro-, Acetic acid, (m-chlorophenyl)-, NSC87556, EINECS 217-520-0, NSC 87556, Benzeneacetic acid, 3-chloro- (9CI), Acetic acid, (m-chlorophenyl)- (8CI), TL806282, ST5406264, InChI=1/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11

Molecular Formula:	C₈H₇ClO₂	Molecular Weight:	170.592980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WFPMUFXQDKMVCO-UHFFFAOYSA-N

• M-Difluorobenzene

IUPAC Name: 1,3-difluorobenzene | CAS Registry Number: 372-18-9
Synonyms: m-Difluorobenzene, Benzene, m-difluoro-, 1,3-DIFLUOROBENZENE, Benzene, 1,3-difluoro-, meta-Difluorobenzene, 1,3-Difluorbenzol, Ambap5726, WLN: FR CF, D102008_ALDRICH, CHEBI:38584, EINECS 206-746-5, CID9741, NSC 10285, Benzene, 1,3-difluoro- (9CI), JRD-0432, NSC10285, LS-29834, TL8002738

Molecular Formula:	C₆H₄F₂	Molecular Weight:	114.092766 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: UEMGWPRHOOEKTA-UHFFFAOYSA-N

• M-Fluorobenzoic Acid

IUPAC Name: 3-fluorobenzoic acid | CAS Registry Number: 455-38-9
Synonyms: m-Fluorobenzoic acid, 3-Fluorobenzoate, 3-FLUOROBENZOIC ACID, Benzoic acid, 3-fluoro-, Benzoic acid, m-fluoro-, meta-Fluorobenzoic acid, F6605_ALDRICH, CHEBI:20021, Benzoic acid, m-fluoro- (8CI), JRD-0016, NSC10320, EINECS 207-248-0, NSC 10320, TL806383, C02364, 3S210938, InChI=1/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10

Molecular Formula:	C₇H₅FO₂	Molecular Weight:	140.111803 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MXNBDFWNYRNIBH-UHFFFAOYSA-N

• M-Nitrophenol

IUPAC Name: 3-nitrophenol | CAS Registry Number: 554-84-7
Synonyms: 3-Nitrophenol, M-NITROPHENOL, m-Hydroxynitrobenzene, Phenol, m-nitro-, Phenol, 3-nitro-, 3-Hydroxynitrobenzene, meta-Nitrophenol, m-Nitrofenol [Czech], WLN: WNR CQ, 1-Hydroxy-3-nitrobenzene, Crump leather-lasting dressing, CCRIS 2315, HSDB 1337, NSC 1551, 73552_FLUKA, CHEBI:34346, EINECS 209-073-5, NSC1551, UN1663, AIDS019392

Molecular Formula:	C₆H₅NO₃	Molecular Weight:	139.108800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: RTZZCYNQPHTPPL-UHFFFAOYSA-N

• Meta Chloroaniline

IUPAC Name: 3-chloroaniline | CAS Registry Number: 108-42-9
Synonyms: m-Chloroaniline, 3-CHLOROANILINE, m-Chloraniline, Orange GC Base, m-Chlorophenylamine, Benzenamine, 3-chloro-, 3-Chlorobenzenamine, 3-Chlorophenylamine, m-Aminochlorobenzene, m-Chloroaminobenzene, Aniline, m-chloro-, 3-Cloroaniline, 3-Chlooranilinen, Fast Orange GC Base, meta-Aminochlorobenzene, 1-Amino-3-chlorobenzene, 3-Chlooranilinen [Dutch], 3-Cloroaniline [Italian], 3-CHLORO-ANILINE, WLN: ZR CG

Molecular Formula:	C₆H₆ClN	Molecular Weight:	127.571540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: PNPCRKVUWYDDST-UHFFFAOYSA-N

• Meta Phenoxy Benzyl Alcohol

IUPAC Name: [3-(phenoxy)phenyl]methanol | CAS Registry Number: 13826-35-2
Synonyms: m-Phenoxybenzyl alcohol, 3-Phenoxybenzyl alcohol, 3-Phenoxybenzylalcohol, (3-Phenoxyphenyl)methanol, Benzenemethanol, 3-phenoxy-, 3-Phenoxybenzenemethanol, 3-Phenoxybenzylic alcohol, 3-(Hydroxymethyl)diphenyl ether, 190284_ALDRICH, BENZYL ALCOHOL, m-PHENOXY-, DAlc2-H_000047, EINECS 237-525-1, BRN 0475312, ZINC00391848, NCGC00164079-01, LS-43127, ST5319446, 3-06-00-04545 (Beilstein Handbook Reference), C064809, 185532-86-9

Molecular Formula:	C₁₃H₁₂O₂	Molecular Weight:	200.233180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: KGANAERDZBAECK-UHFFFAOYSA-N

• Meta Toluic Acid

IUPAC Name: 3-methylbenzoic acid | CAS Registry Number: 99-04-7
Synonyms: 3-Methylbenzoic acid, M-TOLUIC ACID, m-Toluylic acid, meta-Toluic acid, 3-Toluic acid, m-Methylbenzoic acid, Benzoic acid, 3-methyl-, m-Methylbenzoate, beta-Methylbenzoic acid, beta-Bethylbenzoic acid, NCIOpen2_000993, T36609_ALDRICH, BENZOIC ACID,3-METHYL, NSC 2214, 89890_FLUKA, 89892_FLUKA, CHEBI:10589, EINECS 202-723-9, NSC2214, AIDS018012

Molecular Formula:	C₈H₈O₂	Molecular Weight:	136.147920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GPSDUZXPYCFOSQ-UHFFFAOYSA-N

• Methanesulphonic Acid (MSA)

IUPAC Name: methanesulfonic acid | CAS Registry Number: 75-75-2
Synonyms: METHANESULFONIC ACID, Methylsulfonic acid, Methanesulfonate, Methansulfonsaeure, Methanesulphonic acid, methanesulphonic-acid-, Ammonium methanesulfonate, LACTIC ACID(DL), WLN: WSQ1, CCRIS 2783, Methanesulfonic acid solution, HSDB 5004, Kyselina methansulfonova [Czech], M4141_SIAL, NSC 3718, 17834_FLUKA, 55517_FLUKA, 95491_FLUKA, CHEBI:27376, EINECS 200-898-6

Molecular Formula:	CH₄O₃S	Molecular Weight:	96.105660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: AFVFQIVMOAPDHO-UHFFFAOYSA-N

• Methanesulphonyl Chloride

IUPAC Name: methanesulfonyl chloride | CAS Registry Number: 124-63-0
Synonyms: Mesyl chloride, Methanesulfonyl chloride, Chloro methyl sulfone, Methyl sulfochloride, Chloromethyl sulfone, Methanesulfuryl chloride, Methyl sulfonyl chloride, Methanesulphonyl chloride, Methanesulfonic acid chloride, METHYLSULFONYL CHLORIDE, HSDB 5605, 471259_ALDRICH, EINECS 204-706-1, NSC 15039, UN3246, NSC15039, AI3-52234, LS-90360, ST5214471, InChI=1/CH3ClO2S/c1-5(2,3)4/h1H

Molecular Formula:	CH₃ClO₂S	Molecular Weight:	114.551320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QARBMVPHQWIHKH-UHFFFAOYSA-N

• N-Hydroxysuccinimide

IUPAC Name: 1-hydroxypyrrolidine-2,5-dione | CAS Registry Number: 6066-82-6
Synonyms: Hydroxysuccinimide, 1-Hydroxysuccinimide, HOSu, Succinimide, N-hydroxy-, 1-Hydroxy-2,5-pyrrolidinedione, 2,5-Pyrrolidinedione, 1-hydroxy-, CCRIS 2604, NCIOpen2_000470, 130672_ALDRICH, 56480_FLUKA, EINECS 228-001-3, Succinimide, N-hydroxy- (8CI), NSC 74335, NSC74335, ZINC01446435, LS-168769, TL8003846, T0518-8029, InChI=1/C4H5NO3/c6-3-1-2-4(7)5(3)8/h8H,1-2H

Molecular Formula:	C₄H₅NO₃	Molecular Weight:	115.087400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: NQTADLQHYWFPDB-UHFFFAOYSA-N

• N-Methylcyclohexylamine

IUPAC Name: N-methylcyclohexanamine | CAS Registry Number: 100-60-7
Synonyms: Cyclohexylmethylamine, Methylcyclohexylamine, N-Cyclohexylmethylamine, Cyclohexanamine, N-methyl-, Cyclohexylamine, N-methyl-, N-Methylcyclohexanamine, N-METHYLCYCLOHEXYLAMINE, Cyclohexyl(methyl)amine, (Methylamino)cyclohexane, N-Methyl-N-cyclohexylamine, N-Metyhcyclohexylamine, NSC 434, 103322_ALDRICH, NSC434, EINECS 202-869-3, BRN 1523664, SBB004314, AI3-16733, LS-57643, TL8000058

Molecular Formula:	C₇H₁₅N	Molecular Weight:	113.200700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: XTUVJUMINZSXGF-UHFFFAOYSA-N

• o-Bromotoluene

IUPAC Name: 1-bromo-2-methylbenzene | CAS Registry Number: 95-46-5
Synonyms: o-Tolyl bromide, Toluene, o-bromo-, 2-Tolyl bromide, o-Tolylbromide, 1-Bromo-2-methylbenzene, 2-Methylbromobenzene, 2-BROMOTOLUENE, o-Methylphenyl bromide, Toluene, 2-bromo-, Benzene, 1-bromo-2-methyl-, 1-Methyl-2-bromobenzene, CCRIS 5982, B82006_ALDRICH, HSDB 6013, NSC 6532, EINECS 202-421-7, NSC6532, AI3-26648, LS-1975, NCGC00091045-01

Molecular Formula:	C₇H₇Br	Molecular Weight:	171.034480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: QSSXJPIWXQTSIX-UHFFFAOYSA-N

• O-Chloro-Benzamide

IUPAC Name: 2-chlorobenzamide | CAS Registry Number: 609-66-5
Synonyms: o-Chlorobenzamide, 2-Chlorobenzamide, Benzamide, o-chloro-, Benzamide, 2-chloro-, Benzamide, o-chloro- (8CI), 216062_ALDRICH, EINECS 210-195-6, AIDS018398, NSC 406895, AIDS-018398, BRN 0508510, NSC406895, SBB004023, ZINC00152952, AI3-09664, LS-26020, 4-09-00-00963 (Beilstein Handbook Reference), AJ-333/25022002, InChI=1/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10

Molecular Formula:	C₇H₆ClNO	Molecular Weight:	155.581640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: RBGDLYUEXLWQBZ-UHFFFAOYSA-N

• O-Fluorobenzoic Acid

IUPAC Name: 2-fluorobenzoic acid | CAS Registry Number: 445-29-4
Synonyms: o-Fluorobenzoic acid, 2-Fluorobenzoate, Benzoic acid, 2-fluoro-, 2-FLUOROBENZOIC ACID, Benzoic acid, o-fluoro-, o-Fluorbenzoesaeure, ortho-Fluorobenzoic acid, WLN: QVR BF, o-Fluorbenzoesaeure [German], 412244_ALDRICH, CHEBI:19577, EINECS 207-158-1, NSC 10319, NSC10319, BRN 0971265, AI3-33424, LS-37440, ST5213951, TL8003106, C02359

Molecular Formula:	C₇H₅FO₂	Molecular Weight:	140.111803 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: NSTREUWFTAOOKS-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

• Omeprazole

IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole | CAS Registry Number: 73590-58-6
Synonyms: omeprazole, Prilosec, Antra, Losec, Omeprazon, Audazol, Omapren, Omepral, Parizac, Mopral, Miol, Demeprazol, Inhibitron, Ulcometion, Belmazol, Ceprandal, Dizprazol, Dudencer, Emeproton, Epirazole

Molecular Formula:	C₁₇H₁₉N₃O₃S	Molecular Weight:	345.416060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: SUBDBMMJDZJVOS-UHFFFAOYSA-N

• Ortho Vinyl Pyridine

IUPAC Name: 2-ethenylpyridine | CAS Registry Number: 100-69-6
Synonyms: 2-VINYLPYRIDINE, Pyridine, 2-ethenyl-, Pyridine, 2-vinyl-, 2-Ethenylpyridine, Vinylpyridine, alpha-Vinylpyridine, 2-Vinyl pyridine, Pyridine, ethenyl-, Poly(2-vinylpyridine), CCRIS 5238, 2-Ethenylpyridine homopolymer, HSDB 1508, 132292_ALDRICH, NSC18255, EINECS 202-879-8, NSC 18255, AIDS159874, Pyridine, 2-ethenyl-, homopolymer, AIDS-159874, NSC118993

Molecular Formula:	C₇H₇N	Molecular Weight:	105.137180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: KGIGUEBEKRSTEW-UHFFFAOYSA-N

• P-Chloro-Benzamide

IUPAC Name: 4-chlorobenzamide | CAS Registry Number: 619-56-7
Synonyms: p-Chlorobenzamide, 4-CHLOROBENZAMIDE, Benzamide, 4-chloro-, Benzamide, p-chloro-, p-Chlorobenzoic acid amide, Ambap7464, C23802_ALDRICH, EINECS 210-601-1, NSC74687, BRN 0774622, Benzamide, p-chloro- (6CI,7CI,8CI), NSC406894, ZINC00152995, AI3-09668, LS-26022, TL8003993, 4-09-00-00985 (Beilstein Handbook Reference)

Molecular Formula:	C₇H₆ClNO	Molecular Weight:	155.581640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BLNVISNJTIRAHF-UHFFFAOYSA-N

• p-Chlorophenoxyacetic Acid

IUPAC Name: 2-(4-chlorophenoxy)acetic acid | CAS Registry Number: 122-88-3
Synonyms: Tomatotone, Tomato Fix, Sure-Set, Tomato hold, PCPA, Marks 4-cpa, 4-CPA, 4-Chlorophenoxyacetate, Caswell No. 204, Tomato Fix concentrate, (4-Chlorophenoxy)acetic acid, 4CPA, p-Chlorophenoxyacetic acid, (p-Chlorophenoxy)acetic acid, Acetic acid, (p-chlorophenoxy)-, 4-CHLOROPHENOXYACETIC ACID, Acetic acid, (4-chlorophenoxy)-, Parachlorophenoxyacetic acid, 4-Chlorphenoxyessigsaeure, PS39_SUPELCO

Molecular Formula:	C₈H₇ClO₃	Molecular Weight:	186.592380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SODPIMGUZLOIPE-UHFFFAOYSA-N

• p-Fluoroaniline

IUPAC Name: 4-fluoroaniline | CAS Registry Number: 371-40-4
Synonyms: 4-FLUOROANILINE, 4-Fluoronaniline, p-Fluorophenylamine, Benzenamine, 4-fluoro-, 4-Fluorobenzenamine, para-Fluoroaniline, Aniline, p-fluoro-, 4-Fluoranilin, Aniline, 4-fluoro-, 1-Amino-4-fluorobenzene, 4-Fluoranilin [Czech], WLN: ZR DF, 4-FLUOROANILINE HCl, CCRIS 5059, F3800_ALDRICH, Aniline, p-fluoro- (8CI), HSDB 2691, NSC 579, NSC579, 46490_FLUKA

Molecular Formula:	C₆H₆FN	Molecular Weight:	111.116943 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: KRZCOLNOCZKSDF-UHFFFAOYSA-N

• P-Fluorobenzoic Acid

IUPAC Name: 4-fluorobenzoic acid | CAS Registry Number: 456-22-4
Synonyms: p-Fluorobenzoic acid, 4-FLUOROBENZOIC ACID, 4-Fluorobenzoate, Benzoic acid, 4-fluoro-, Benzoic acid, p-fluoro-, para-Fluorobenzoic acid, 128384_ALDRICH, 418846_ALDRICH, 46600_FLUKA, CHEBI:20364, Benzoic acid, p-fluoro- (8CI), NSC10321, EINECS 207-259-0, NSC 10321, SBB008568, FR-2272, TL8003173, C02371, InChI=1/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10, 499-90-1

Molecular Formula:	C₇H₅FO₂	Molecular Weight:	140.111803 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BBYDXOIZLAWGSL-UHFFFAOYSA-N

• P-Fluorobenzyl Chloride

IUPAC Name: 1-(chloromethyl)-4-fluorobenzene | CAS Registry Number: 352-11-4
Synonyms: 4-Fluorobenzyl chloride, alpha-Chloro-4-fluorotoluene, P-FLUOROBENZYL CHLORIDE, alpha-Chloro-p-fluorotoluene, Benzene, 1-(chloromethyl)-4-fluoro-, 1-(Chloromethyl)-4-fluorobenzene, CCRIS 5107, F8004_ALDRICH, Toluene, .alpha.-chloro-p-fluoro-, .alpha.-Chloro-p-fluorotoluene, 1-Chloromethyl-4-fluorobenzene, .alpha.-Chloro-4-fluorotoluene, EINECS 206-516-4, Toluene, alpha-chloro-p-fluoro-, NSC 25084, NSC25084, Toluene, alpha-chloro-p-fluoro- (8CI), F119, LS-188126, ST5214001

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

InChIKey: IZXWCDITFDNEBY-UHFFFAOYSA-N

• Para Nitro Benzyl Alcohol

IUPAC Name: (4-nitrophenyl)methanol | CAS Registry Number: 619-73-8
Synonyms: 4-Nitrobenzyl alcohol, p-Nitrobenzyl alcohol, Benzenemethanol, 4-nitro-, Benzyl alcohol, p-nitro-, (4-Nitrophenyl)methanol, 4-Nitrobenzenemethanol, p-(Hydroxymethyl)nitrobenzene, 4NBA, CCRIS 5118, N12821_ALDRICH, PARANITROBENZYL ALCOHOL, NSC 5389, 73160_FLUKA, EINECS 210-611-6, CPD-702, NSC5389, AIDS020829, AIDS-020829, BRN 1424026, SBB008259

Molecular Formula:	C₇H₇NO₃	Molecular Weight:	153.135380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JKTYGPATCNUWKN-UHFFFAOYSA-N

• 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

• Phenoxy Phenol

IUPAC Name: 4-(phenoxy)phenol | CAS Registry Number: 831-82-3
Synonyms: p-Phenoxyphenol, 4-PHENOXYPHENOL, Phenol, 4-phenoxy-, Phenol, p-phenoxy-, p-Hydroxydiphenyl ether, 4-Hydroxydiphenyl ether, 4-(phenyloxy)phenol, Hydroquinone monophenyl ether, Phenol, p-phenoxy- (8CI), 230669_ALDRICH, 77760_FLUKA, CHEBI:39264, EINECS 212-611-1, NSC 25027, NSC25027, ZINC00158246, LS-184899, ST5406502, AC-907/25014304

Molecular Formula:	C₁₂H₁₀O₂	Molecular Weight:	186.206600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZSBDGXGICLIJGD-UHFFFAOYSA-N

• Quinaldic Acid

IUPAC Name: quinoline-2-carboxylic acid | CAS Registry Number: 93-10-7
Synonyms: Quinaldinic acid, QUINALDIC ACID, Quinaldate, 2-Quinolinecarboxylic acid, 2-Carboxyquinoline, Chinaldinsaeure, Quinoline-2-carboxylic acid, 2-Quinolinecarboxylate, 2-Chinolincarbonsaeure, 2-Quinolinylcarboxylic acid, 2-Quinoline carboxylic acid, Oprea1_469219, Oprea1_509154, WLN: T66 BNJ CVQ, 160660_ALDRICH, ARONIS023303, NSC 4882, 22560_FLUKA, CHEBI:18386, EINECS 202-218-3

Molecular Formula:	C₁₀H₇NO₂	Molecular Weight:	173.168080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LOAUVZALPPNFOQ-UHFFFAOYSA-N

• Trityl Chloride

IUPAC Name: [chloro-di(phenyl)methyl]benzene | CAS Registry Number: 76-83-5
Synonyms: Trityl chloride, Triphenylmethyl chloride, Triphenylchloromethane, Methane, chlorotriphenyl-, CHLOROTRIPHENYLMETHANE, T83801_ALDRICH, (chloro-diphenylmethyl)benzene, HSDB 2807, NSC 435, NSC435, 93000_FLUKA, EINECS 200-986-4, BRN 0397363, 1,1',1''-(Chloromethylidyne)trisbenzene, Benzene, 1,1',1''-(chloromethylidyne)tris-, AI3-51298, Triphenylmethyl-containing compound, 11, LS-90014, TL806144, 4-05-00-02497 (Beilstein Handbook Reference)

Molecular Formula:	C₁₉H₁₅Cl	Molecular Weight:	278.775400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: JBWKIWSBJXDJDT-UHFFFAOYSA-N

• 4-Fluorophenylacetonitrile

IUPAC Name: 2-(4-fluorophenyl)acetonitrile | CAS Registry Number: 459-22-3
Synonyms: p-Fluorobenzyl cyanide, 4-Fluorobenzyl cyanide, 4-Fluorobenzylcyanide, 4-Fluorobenzeneacetonitrile, Benzeneacetonitrile, 4-fluoro-, p-Fluorophenylacetonitrile, Acetonitrile, (p-fluorophenyl)-, (p-Fluorophenyl)acetonitrile, 102407_ALDRICH, EINECS 207-286-8, NSC 60739, NSC60739, BRN 1907764, ZINC00388043, LS-13270, 4-09-00-01673 (Beilstein Handbook Reference), T5365046

Molecular Formula:	C₈H₆FN	Molecular Weight:	135.138343 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JHQBLYITVCBGTO-UHFFFAOYSA-N

• 2,4-Dichloro Benzyl Cyanide

IUPAC Name: 2-(2,4-dichlorophenyl)acetonitrile | CAS Registry Number: 6306-60-1
Synonyms: 2,4-Dichlorobenzyl cyanide, 2,4-Dichlorophenylacetonitrile, Benzeneacetonitrile, 2,4-dichloro-, 178462_ALDRICH, 2,4-Dichlorobenzeneacetonitrile, Acetonitrile, (2,4-dichlorophenyl)-, 35518_FLUKA, (2,4-Dichlorophenyl)acetonitrile, NSC22988, 2-(2,4-Dichlorophenyl)acetonitrile, EINECS 228-621-4, ZINC00164084, AI3-12073, ST5406638, TL8004373

Molecular Formula:	C₈H₅Cl₂N	Molecular Weight:	186.038000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: VJARIBGMDPJLCL-UHFFFAOYSA-N

• 2,4-Dihydroxy Acetophenone

IUPAC Name: 1-(2,4-dihydroxyphenyl)ethanone | CAS Registry Number: 89-84-9
Synonyms: Resacetophenone, 4-Acetylresorcinol, Resoacetophenone, 2,4-Dihydroxyacetophenone, Resorcinol, 4-acetyl-, .beta.-Resacetophenone, Acetophenone, 2',4'-dihydroxy-, 2',4'-DIHYDROXYACETOPHENONE, 1-(2,4-Dihydroxyphenyl)ethanone, Ethanone, 1-(2,4-dihydroxyphenyl)-, WLN: QR CQ DV1, D107409_ALDRICH, 1-Acetyl-2,4-dihydroxybenzene, CHEBI:18414, EINECS 201-945-3, NSC 10883, AIDS017971, AIDS-017971, NSC10883, NSC37559

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

InChIKey: SULYEHHGGXARJS-UHFFFAOYSA-N

• 2,5-Dimethyl Aniline

IUPAC Name: 2,5-dimethylaniline | CAS Registry Number: 95-78-3
Synonyms: 2,5-Dimethylaniline, p-Xylidine, 2,5-XYLIDINE, para-Xylidine, p-Dimethylaniline, 5-Methyl-o-toluidine, 6-Methyl-m-toluidine, 2,5-Xylidene, Benzenamine, 2,5-dimethyl-, 2-Amino-1,4-xylene, 2-Amino-p-xylene, 2,5-Dimethylbenzenamine, Aniline, 2,5-dimethyl-, 2,5-Dimethylphenylamine, 1-Amino-2,5-dimethylbenzene, 3-Amino-1,4-dimethylbenzene, 5-Amino-1,4-dimethylbenzene, CCRIS 4740, HSDB 2093, 2-Amino-1,4-dimethylbenzene

Molecular Formula:	C₈H₁₁N	Molecular Weight:	121.179640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: VOWZNBNDMFLQGM-UHFFFAOYSA-N

• 2-Amino-5-Nitro Pyridine

IUPAC Name: 5-nitropyridin-2-amine | CAS Registry Number: 4214-76-0
Synonyms: 2-Amino-5-nitropyridine, 2-Pyridinamine, 5-nitro-, 5-Nitro-2-aminopyridine, 5-Nitro-2-pyridinamine, 5-Nitropyrimidin-2-ylamine, A70801_ALDRICH, TPC-PY074, Pyridine, 2-amino-5-nitro-, 08950_FLUKA, NSC23774, EINECS 224-145-6, NSC 23774, SBB004178, Pyridine, 2-amino-5-nitro- (8CI), A148, AI3-19226, ST5208945, TL8003013, AH-034/32462004, InChI=1/C5H5N3O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,(H2,6,7

Molecular Formula:	C₅H₅N₃O₂	Molecular Weight:	139.112100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: UGSBCCAHDVCHGI-UHFFFAOYSA-N

• 2-Chloro-6-Fluorobenzaldehyde

IUPAC Name: 2-chloro-6-fluorobenzaldehyde | CAS Registry Number: 387-45-1
Synonyms: 2-Chloro-6-fluorobenzaldehyde, Benzaldehyde, 2-chloro-6-fluoro-, 141240_ALDRICH, 24615_FLUKA, EINECS 206-860-5, ZINC00151783, CID67847, JRD-0302, TL806240, LS-184874, ST5208666, 3S210933

Molecular Formula:	C₇H₄ClFO	Molecular Weight:	158.557463 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OACPOWYLLGHGCR-UHFFFAOYSA-N

• 3-Fluorobenzoyl Chloride

IUPAC Name: 3-fluorobenzoyl chloride | CAS Registry Number: 1711-07-5
Synonyms: m-Fluorobenzoyl chloride, 3-Fluorobenzoyl chloride, Benzoyl chloride, 3-fluoro-, Benzoyl chloride, m-fluoro-, m-Fluorobenzoic acid chloride, 162531_ALDRICH, JRD-0175, NSC88315, EINECS 216-977-3, NSC 88315, ZINC01995213, ST5214055, TL8001346

Molecular Formula:	C₇H₄ClFO	Molecular Weight:	158.557463 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SYVNVEGIRVXRQH-UHFFFAOYSA-N

• 4-Bromo-2-Fluorotoluene

IUPAC Name: 4-bromo-2-fluoro-1-methylbenzene | CAS Registry Number: 51436-99-8
Synonyms: 4-Bromo-2-fluorotoluene, 2-Fluoro-4-bromotoluene, 345040_ALDRICH, EINECS 257-201-3, CID171040, Benzene, 4-bromo-2-fluoro-1-methyl-, B116, TL806216, ST5406369, InChI=1/C7H6BrF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H

Molecular Formula:	C₇H₆BrF	Molecular Weight:	189.024943 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: YZFVUQSAJMLFOZ-UHFFFAOYSA-N

• 4-Chlorobenzotrifluoride

IUPAC Name: 1-chloro-4-(trifluoromethyl)benzene | CAS Registry Number: 98-56-6
Synonyms: p-Chlorobenzotrifluoride, para-Chlorobenzotrifluoride, p-Chlorotrifluoromethylbenzene, p-Trifluoromethylphenyl chloride, (p-Chlorophenyl)trifluoromethane, p-(Trifluoromethyl)chlorobenzene, p-Chloro-a,a,a-trifluorotoluene, CCRIS 720, Benzene, 1-chloro-4-(trifluoromethyl)-, para-Chlorotrifluoromethylbenzene, C26402_ALDRICH, HSDB 4251, 1-(Trifluoromethyl)-4-chlorobenzene, 1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE, 23720_FLUKA, 4-Chloro-a,a,a-trifluorotoluene, EINECS 202-681-1, NSC 10309, NSC10309, 4-Chloro-alpha,alpha,alpha-trifluorotoluene

Molecular Formula:	C₇H₄ClF₃	Molecular Weight:	180.554870 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: QULYNCCPRWKEMF-UHFFFAOYSA-N

• 3,4-Dichloroaniline

IUPAC Name: 3,4-dichloroaniline | CAS Registry Number: 95-76-1
Synonyms: 3,4-DICHLOROANILINE, 3,4-Dichloranilin, 4,5-Dichloroaniline, 3,4-Dichloraniline, 3,4-Dichlorobenzenamine, Benzenamine, 3,4-dichloro-, m.p-Dichloroaniline, Aniline, 3,4-dichloro-, m,p-dichloroaniline, 3,4-Dichlorophenylamine, 1-Amino-3,4-dichlorobenzene, 3,4-DCA, DCA (VAN), WLN: ZR CG DG, 34-DICHLOROANILINE, 4-Amino-1,2-dichlorobenzene, CCRIS 2395, nchembio.2007.32-comp5, HSDB 1319, MLS002152880

Molecular Formula:	C₆H₅Cl₂N	Molecular Weight:	162.016600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: SDYWXFYBZPNOFX-UHFFFAOYSA-N

• 3,5-Dinitro-4-Methyl Benzoic Acid

IUPAC Name: 4-methyl-3,5-dinitrobenzoic acid | CAS Registry Number: 16533-71-4
Synonyms: 3,5-Dinitro-p-toluic acid, p-Toluic acid, 3,5-dinitro-, Oprea1_642861, NSC5589, 136883_ALDRICH, 4-Methyl-3,5-dinitrobenzoic acid, Benzoic acid, 4-methyl-3,5-dinitro-, 3,5-Dinitro-4-methylbenzoic acid, CID85477, EINECS 240-603-8, AI3-14622, TL80073595, PB262299010, InChI=1/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12

Molecular Formula:	C₈H₆N₂O₆	Molecular Weight:	226.143040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: LZWWZQXBKVZKIP-UHFFFAOYSA-N