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• Tegafur

IUPAC Name: 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione | CAS Registry Number: 17902-23-7
Synonyms: Ftorafur, tegafur, Fluorofur, Futraful, Citofur, Sinoflurol, Neberk, Furofutran, Coparogin, Florafur, Franroze, Furafluor, Furflucil, Nitobanil, Fulfeel, Sunfral, Exonal, Fental, Lifril, Lamar

Molecular Formula:	C₈H₉FN₂O₃	Molecular Weight:	200.167063 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WFWLQNSHRPWKFK-UHFFFAOYSA-N

• Telmisartan

IUPAC Name: 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid | CAS Registry Number: 144701-48-4
Synonyms: Micardis, Kinzalmono, Pritor, Micardis HCT, Micardis (TN), Telmisartan [INN], BIBR 277SE, BIBR 277, Spectrum2_001976, Spectrum3_001089, Spectrum4_001261, Spectrum5_001053, Telmisartan [USAN:INN], BIBR-277, BSPBio_002738, KBioGR_001842, MLS000759432, MLS001076687, BIBR-277-SE, SPECTRUM1505261

Molecular Formula:	C₃₃H₃₀N₄O₂	Molecular Weight:	514.616900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: RMMXLENWKUUMAY-UHFFFAOYSA-N

• Tetrazole-5-acetic acid

IUPAC Name: 2-(2H-tetrazol-5-yl)acetic acid | CAS Registry Number: 21743-75-9
Synonyms: 1H-Tetrazol-5-acetic acid, 1H-Tetrazole-5-acetic acid, 544108_ALDRICH, ZERO/006144, EINECS 244-563-2, NSC282047

Molecular Formula:	C₃H₄N₄O₂	Molecular Weight:	128.089460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: JUNAPQMUUHSYOV-UHFFFAOYSA-N

• Thiamine Mononitrate

IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol nitrate | CAS Registry Number: 532-43-4
Synonyms: Stuartinic, thiamine nitrate, Aneurine nitrate, Aneurine mononitrate, Mixture Name, Betabion mononitrate, Vitamin B1 nitrate, Vitamin B1 mononitrate, Thiamine nitrate (salt), THIAMINE MONONITRATE, Vitamin B(sub 1) nitrate, Thiamine mononitrate [USAN], EINECS 208-537-4, Thiamine nitrate (salt) (8CI), LS-3227, 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium nitrate, 3-(4-Amino-2-methylpyrimidyl-5-methyl)-4-methyl-5,beta-hydroxyethylthiazolium nitrate, 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-m-ethylthiazolium nitrate (salt), Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-m-ethyl-, nitrate (salt), Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, nitrate (salt)

Molecular Formula:	C₁₂H₁₇N₅O₄S	Molecular Weight:	327.359480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: UIERGBJEBXXIGO-UHFFFAOYSA-N

• Thymine

IUPAC Name: 5-methyl-1H-pyrimidine-2,4-dione | CAS Registry Number: 65-71-4
Synonyms: thymine, 5-methyluracil, Thymin, Thymine anhydrate, Thymin (purine base), Thymine-t, 5-Methyl Uracil, Thymine (VAN), (3H)Methylthymidine, Thymine (8CI), Thymine-2-14C, 2,4-Dihydroxy-5-methylpyrimidine, nchembio.108-comp2, Ambap7384, CCRIS 5584, 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, Thymine (VAN) (8CI), NSC14705, T0376_SIGMA, T0895_SIGMA

Molecular Formula:	C₅H₆N₂O₂	Molecular Weight:	126.113340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RWQNBRDOKXIBIV-UHFFFAOYSA-N

• Tranesamic Acid

IUPAC Name: 4-(aminomethyl)cyclohexane-1-carboxylic acid | CAS Registry Number: 1197-18-8
Synonyms: tranexamic acid, Tranexamsaeure, Cyklokapron, Rikavarin, Transamin, Tranhexamic acid, Cyclocapron, Amikapron, Frenolyse, Trasamlon, Anvitoff, Carxamin, Emorhalt, Tranexan, Amstat, Mastop, Tamcha, Ugurol, Trans AMCHA, trans-Amcha

Molecular Formula:	C₈H₁₅NO₂	Molecular Weight:	157.210200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: GYDJEQRTZSCIOI-UHFFFAOYSA-N

• trans-4-Hydroxy-D-proline

IUPAC Name: 4-hydroxypyrrolidine-2-carboxylic acid | CAS Registry Number: 3398-22-9
Synonyms: hydroxyproline, 4-hydroxyproline, cis-Hydroxyproline, 1-Hydroxy-L-proline, L-Allohydroxyproline, cis-4-hydroxyproline, allo-L-Hydroxyproline, allo-4-Hydroxyproline, Proline, 4-hydroxy-, cis-4-Hydroxy-L-proline, Poly(l-Hydroxyproline), allo-4-Hydroxy-L-proline, nchembio.155-comp21, L-Proline, 1-hydroxy-, cis-4-Hydroxy-D-proline, L-Proline, allo-hydroxy-, D-Proline, 4-hydroxy-, cis-, L-Proline, 4-hydroxy-, trans-, L-Proline, 4-hydroxy-, cis-, Proline, 4-allo-hydroxy-, L-

Molecular Formula:	C₅H₉NO₃	Molecular Weight:	131.129860 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: PMMYEEVYMWASQN-UHFFFAOYSA-N

• Trimetozine

IUPAC Name: morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone | CAS Registry Number: 635-41-6
Synonyms: TRIMETOZINE, Trimethoxazine, Trifenoxazin, Sedoxazine, Triksazin, Trioxazin, Trioxazine, Opalene, Trimetozina, Trioxyfar, Trimetogine, Trimetozin, Trimetozinum, Abbott-22370, Spectrum_001594, Trimetozinum [INN-Latin], SpecPlus_000359, Trimetozina [INN-Spanish], Spectrum5_001694, Trimetozine (USAN/INN)

Molecular Formula:	C₁₄H₁₉NO₅	Molecular Weight:	281.304360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: XWVOEFLBOSSYGM-UHFFFAOYSA-N

• Tropine

IUPAC Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-ol | CAS Registry Number: 120-29-6
Synonyms: Pseudotropine, Pseudotropanol, 3alpha-Tropanol, Tropanol, Tropin, 3-Pseudotropanol, psi-Tropine, 3beta-Tropanol, 3-beta-Tropanol, 3-alpha-Tropanol, 3.beta.-Tropanol, 3.alpha.-Tropanol, Prestwick0_001077, Prestwick1_001077, Prestwick2_001077, Prestwick3_001077, Oprea1_099397, BSPBio_001094, NSC43870, NSC43871

Molecular Formula:	C₈H₁₅NO	Molecular Weight:	141.210800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CYHOMWAPJJPNMW-UHFFFAOYSA-N

• Valaciclovir HCL

IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate hydrochloride | CAS Registry Number: 124832-27-5
Synonyms: Valtrex, valacyclovir, Valaciclovir, Developm, L-valylacyclovir, Valaciclovir hydrochloride, Valtrex (TN), Valacyclovir hydrochloride, 256U87 hydrochloride, acyclovir, L-valyl ester, MLS001401440, C13H20N6O4.HCl, SPECTRUM1505368, Valacyclovir hydrochloride [USAN], Valaciclovir hydrochloride (JAN), BW-256U87, Valacyclovir hydrochloride (USAN), BW256U87, DRG-0119, BW 256U87

Molecular Formula:	C₁₃H₂₁ClN₆O₄	Molecular Weight:	360.796640 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: ZCDDBUOENGJMLV-QRPNPIFTSA-N

• VITAMIN C (ASCORBIC ACID)

IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one | CAS Registry Number: 89924-69-6
Synonyms: ascorbic acid, l-ascorbic acid, vitamin C, ascorbate, Ascorbicap, Ascoltin, L(+)-Ascorbic acid, Cebione, Cevalin, Hybrin, Cecon, Cevex, Cevitamic acid, L-ascorbate, Allercorb, Ascorbajen, Ascorbutina, Ascorteal, Ascorvit, Cantaxin

Molecular Formula:	C₆H₈O₆	Molecular Weight:	176.124120 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-N

• XLT-A5

IUPAC Name: methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate | CAS Registry Number: 70415-50-8
Synonyms: 6-Chloro-4-hydroxy-2-methyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxylic acid methyl ester 1,1-dioxide, AG-G-74908, 6-Chloro-4-hydroxy-2-methyl-3-methoxycarbonyl-2H-thieno[2,3-e]-1,2-thiazine-1,1-dioxide, 6-Chloro-4-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda*6*-thieno[2,3-e][1,2]thiazine-3-carboxylic acid methyl ester, 6-chloro-4-hydroxy-2-methyl-2h-thieno(2,3-e)-1,2-thiazine-3-carboxylic acid methyl ester 1,1-dioxide, SureCN6702830, CTK2H7150, MolPort-000-882-573, ANW-56573, SBB067049, WT2120, AKOS000279590, AC-4677, AK-28662, H515, KB-199338, TL8004972, FT-0601095, M-1238, A836877

Molecular Formula:	C₉H₈ClNO₅S₂	Molecular Weight:	309.746520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: HITUAYIBHWKKFU-UHFFFAOYSA-N

• Xylometazoline hydrochloride

IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole hydrochloride | CAS Registry Number: 1218-35-5
Synonyms: Neo-Synephrine II, Prestwick_574, Ambap2337, Neo-Synephrine II (TN), MLS000069695, MLS001076518, SPECTRUM1500614, X6000_SIGMA, Xylometazoline hydrochloride (USP), CID5282386, NCGC00094506-01, NCGC00094506-02, NCGC00094506-03, NCGC00094506-04, NCGC00094506-05, SMR000058526, EU-0101269, D00757, 2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline hydrochloride

Molecular Formula:	C₁₆H₂₅ClN₂	Molecular Weight:	280.836100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YGWFCQYETHJKNX-UHFFFAOYSA-N

• Z-Lys(Boc)-OH

IUPAC Name: (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one | CAS Registry Number: 90719-32-7
Synonyms: (S)-4-Benzyl-2-oxazolidinone, 294640_ALDRICH, 13616_FLUKA, CID736225, ZINC00156419, ZINC04284392, SB 02020, TL8005821, InChI=1/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12

Molecular Formula:	C₁₀H₁₁NO₂	Molecular Weight:	177.199840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OJOFMLDBXPDXLQ-VIFPVBQESA-N

• 2,3-Cyclopentenopyridine

IUPAC Name: 6,7-dihydro-5H-cyclopenta[b]pyridine | CAS Registry Number: 533-37-9
Synonyms: 2,3-Cyclopentapyridine, 197491_ALDRICH, ZINC01846564, 5H-1-Pyrindine, 6,7-dihydro-, 6,7-Dihydro-5H-cyclopenta[b]pyridine, CID68292, EINECS 208-564-1, 6,7-Dihydro-5H-cyclopenta(b)pyridine, 5H-cyclopenta[b]pyridine, 6,7-dihydro-, TL8003506, InChI=1/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H

Molecular Formula:	C₈H₉N	Molecular Weight:	119.163760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: KRNSYSYRLQDHDK-UHFFFAOYSA-N

• 2-Methyl-4-hydroxy-2H-1,2-benzothiazine-1,1-dioxide-3-carboxylic acid ethyl ester

IUPAC Name: ethyl 4-hydroxy-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxylate | CAS Registry Number: 113913-36-3
Synonyms: EINECS 246-403-7, 24683-26-9, Ethyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide, Ethyl 4-hydroxy-2-methyl-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide, 2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid ethyl ester 1,1-dioxide, Ethyl 4-hydroxy-2-methyl-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate, 2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3 -carboxylic acid ethyl ester 1,1-dioxide, 2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid ethyl ester-1,1-dioxide, 2H-1,2-Benzothiazine-3-carboxylic acid, 4-hydroxy-2-methyl-, ethyl ester, 1,1-dioxide, 2H-1,2-Benzothiazine-3-carboxylicacid, 3,4-dihydro-4-hydroxy-2-methyl-, ethyl ester, 1,1-dioxide, Piroxicam Impurity K, AC1NTQV3, AC1NUN8H, ACMC-20a66v, UNII-EAD64Z1YS1, AC1L3KA6, SureCN2345581, 552429_ALDRICH, CHEMBL598364, Jsp001058

Molecular Formula:	C₁₂H₁₃NO₅S	Molecular Weight:	283.300320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: QWTNANUGXZEPFQ-UHFFFAOYSA-N

• 2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)- 3-hydroxypropyl)phenyl)-2-propanol

IUPAC Name: (1S)-1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol | CAS Registry Number: 142569-70-8
Synonyms: SureCN201921, 2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropyl)phenyl)-2-propanol, ANW-45479

Molecular Formula:	C₂₉H₂₈ClNO₂	Molecular Weight:	457.991120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: ZSHIDKYITZZTLA-NDEPHWFRSA-N

• 2-Methoxynaphthalene

IUPAC Name: 2-methoxynaphthalene | CAS Registry Number: 93-04-9
Synonyms: Yara yara, Yura yara, Nerolin, Yara-Yara, Nerolin (old), 2-METHOXYNAPHTHALENE, Naphthalene, 2-methoxy-, Methyl 2-naphthyl ether, Nerolin Yara Yara, 2-Naphthol methyl ether, 2-Naphthyl methyl ether, beta-Methoxynaphthalene, .beta.-Methoxynaphthalene, ARABINO GALACTAN, Ambap5819, beta-Naphthol mether ether, beta-Naphthol methyl ether, beta-Naphthyl methyl ether, Methyl beta-naphthyl ether, .beta.-Naphthol methyl ether

Molecular Formula:	C₁₁H₁₀O	Molecular Weight:	158.196500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: LUZDYPLAQQGJEA-UHFFFAOYSA-N

• 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazole-3-one

IUPAC Name: 2-butan-2-yl-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one | CAS Registry Number: 89848-21-5
Synonyms: 106461-41-0, 1-(sec-Butyl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one, 2,4-Dihydro-4-[(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazole-3-one, 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl]-1-piperazinyl]-phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one, 2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-(1-methylpropyl)-3h-1,2,4-triazol-3-one, 1-sec-butyl-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one, 2-sec-butyl-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, 1-sec-butyl-4-(2-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one, FFAQILVGBAELHN-UHFFFAOYSA-N, 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]-phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one, PubChem20730, Oprea1_160322, 2,4-Dihydro-4-[4-[4-(4-hydroxylphenyl)piperazin-1-yl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one, MLS000705004, SCHEMBL2543291, CHEMBL1310553, CTK8B7922, DTXSID60403376, HMS2553F09, ACT01843

Molecular Formula:	C₂₂H₂₇N₅O₂	Molecular Weight:	393.500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: FFAQILVGBAELHN-UHFFFAOYSA-N

• 5-Norbornene-2,3-Dicarboxylic Acid

IUPAC Name: 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid | CAS Registry Number: 115-28-6
Synonyms: CHLORENDIC ACID, HET acid, Kyselina het, Kyselina het [Czech], Chlorendic acid (VAN), CCRIS 896, NCI-C55072, HSDB 2915, MLS002152895, 411701_ALDRICH, NSC519, EINECS 204-078-9, CID8266, NSC 22231, LS-56, NSC22225, NSC22231, NSC41876, Hexachloroendomethylenetetrahydrophthalic acid, STK266636

Molecular Formula:	C₉H₄Cl₆O₄	Molecular Weight:	388.843660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: DJKGDNKYTKCJKD-UHFFFAOYSA-N

• 9-(4-acetoxy-3-acetoxymethylbutyl)-2-amino-6-chloropurine

IUPAC Name: [2-(acetyloxymethyl)-4-(2-amino-6-chloropurin-9-yl)butyl] acetate | CAS Registry Number: 97845-60-8
Synonyms: 2-(2-(2-Amino-6-chloro-9H-purin-9-yl)ethyl)propane-1,3-diyl diacetate, 9-(4-acetoxy-3-acetoxymethylbut-1-yl)-2-amino-6-chloropurine, PubChem9574, CTK3I6650, MolPort-003-984-186, ACN-S002257, ANW-44476, ZINC21985917, AKOS015892535, AC-15521, AK-93504, R822, KB-220352, FT-0661061, ST51052554, A845755, I03-0097, [2-(acetoxymethyl)-4-(2-amino-6-chloro-purin-9-yl)butyl] acetate, [2-(acetyloxymethyl)-4-(2-azanyl-6-chloranyl-purin-9-yl)butyl] ethanoate, acetic acid [2-(acetyloxymethyl)-4-(2-amino-6-chloro-9-purinyl)butyl] ester

Molecular Formula:	C₁₄H₁₈ClN₅O₄	Molecular Weight:	355.776820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: KXPSHSVVYGZKAV-UHFFFAOYSA-N

• 2-Methoxy-5-fluorouracil (CAS: 1408-96-2)

• 4-Nitrobenzene sulfonyl chloride

IUPAC Name: 4-nitrobenzenesulfonyl chloride | CAS Registry Number: 98-74-8
Synonyms: 4-Nitrobenzenesulfonyl chloride, 4-Nitrobenzenesulphonyl chloride, p-Nitrophenylsulfonyl chloride, 4-Nitrophenylsulfonyl chloride, Benzenesulfonyl chloride, p-nitro-, 170925_ALDRICH, 272248_ALDRICH, Benzenesulfonyl chloride, 4-nitro-, STOCK2S-65078, 4-Nitrobenzenesulfonic acid chloride, NSC9572, P-NITROBENZENESULFONYL CHLORIDE, NSC13065, EINECS 202-697-9, NSC 13065, Benzenesulfonyl chloride, p-nitro- (8CI), AI3-52248, TL8006052

Molecular Formula:	C₆H₄ClNO₄S	Molecular Weight:	221.618260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: JXRGUPLJCCDGKG-UHFFFAOYSA-N

• 4-Chloro-6-ethyl-5-fluoropyrimidine

IUPAC Name: 4-chloro-6-ethyl-5-fluoropyrimidine | CAS Registry Number: 137234-74-3
Synonyms: 4-Chloro-6-ethyl-5-fluoro-pyrimidine, AG-D-75761, PYRIMIDINE, 4-CHLORO-6-ETHYL-5-FLUORO-, PubChem7037, ACMC-1BZF7, KSC174S6P, AGN-PC-0158EL, Jsp002244, CTK0H4967, MolPort-003-984-444, ACT01620, ANW-20220, ZINC19615494, AKOS005063655, AC-4747, LS20306, PB10473, RP22369, AK-47637, BR-47637

Molecular Formula:	C₆H₆ClFN₂	Molecular Weight:	160.576643 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LKTGVRWVTAJGMS-UHFFFAOYSA-N

• 1-(3-Hydroxymethylpyridin-2-yl)-4-methyl-2-phenylpiperazine

IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride | CAS Registry Number: 141109-19-5
Synonyms: AB1004590

Molecular Formula:	C₁₅H₁₇Cl₂NO₂S	Molecular Weight:	346.271980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: ZXANKCFSGFEBQW-PFEQFJNWSA-N

• 4-(2,3-Epoxypropoxy)carbazole

IUPAC Name: 4-(oxiran-2-ylmethoxy)-9H-carbazole | CAS Registry Number: 51997-51-4
Synonyms: 4-Glycidyloxycarbazole, 4-Epoxypropanoxycarbazole, 4-(oxiran-2-ylmethoxy)-9H-carbazole, 4-(2,3-Epoxypropoxy)-carbazole, 4-(2-oxiranylmethoxy)-9H-carbazole, (S)-4-(2,3-Epoxypropoxy)-9H-carbazole, 9H-Carbazole, 4-(oxiranylmethoxy)-, (R)-, PubChem9367, ACMC-20epf7, ACMC-209kx8, 4-Oxiranylmethoxy-carbazole, AC1NN40L, UNII-VX4N43V2E1, KSC496E2T, 4-Oxiranylmethoxy-9H-carbazole, AGN-PC-00628C, CTK3J6229, MolPort-003-847-071, 4-(2,3-epoxypropaneoxy)carbazole, 9H-Carbazole, 4-(oxiranylmethoxy)-

Molecular Formula:	C₁₅H₁₃NO₂	Molecular Weight:	239.269220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: SVWKIGRDISDRLO-UHFFFAOYSA-N

• 4-(trans-4-Ethylcyclohexyl) Benzonitrile

IUPAC Name: 4-(4-ethylcyclohexyl)benzonitrile | CAS Registry Number: 73592-81-1
Synonyms: 4-(4-Ethylcyclohexyl)benzonitrile, 72928-54-2, 4-(trans-4-Ethylcyclohexyl)benzonitrile, 4-(Trans-4-Ethylcyclohexyl)-benzonitrile, 1-Cyano-4-(trans-4-ethylcyclohexyl)benzene, trans-4-(4-Ethylcyclohexyl)benzonitrile, trans-4-(4-Ethyl-cyclohexyl)-benzonitrile, ACMC-209oor, Benzonitrile, 4-(trans-4-ethylcyclohexyl)-, SureCN7509180, SureCN7899393, KSC490Q7J, KSC496I9H, AC1L41G5, BBHJTCADCKZYSO-UHFFFAOYSA-, CTK3J6493, p-(4-Ethylcyclohexyl)benzonitrile, 4-trans-ethylcyclohexylcyanobenzene, EINECS 277-084-2, ANW-36265

Molecular Formula:	C₁₅H₁₉N	Molecular Weight:	213.318060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: BBHJTCADCKZYSO-UHFFFAOYSA-N

• (s)-4-Benzyl-2-Oxazolidinone (CAS: 90719-32-9)

• (trans-4-(trans-4-pentylcyclohexyl)cyclohexyl)bromobenzene

IUPAC Name: 1-bromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene | CAS Registry Number: 154755-54-1
Synonyms: SCHEMBL10739510, SCHEMBL10739514, 1-bromo-4-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]Benzene

Molecular Formula:	C₂₃H₃₅Br	Molecular Weight:	391.437 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: WFQXECMAXWKLPE-UHFFFAOYSA-N

• 4-Hydroxycarbazole

IUPAC Name: 9H-carbazol-4-ol | CAS Registry Number: 54989-33-2
Synonyms: 9H-Carbazol-4-ol, 52602-39-8, 4-Hydroxy carbazole, CCRIS 5300, EINECS 258-034-9, PubChem9190, AC1Q7BAA, ACMC-209l0g, SureCN151982, AC1L2WF0, KSC269K0J, CHEMBL46723, 543896_ALDRICH, UNII-3D95E7727V, CTK1G9504, UEOHATPGKDSULR-UHFFFAOYSA-, CHEBI:168954, MolPort-001-761-056, ANW-31502, AR-1H5650

Molecular Formula:	C₁₂H₉NO	Molecular Weight:	183.205960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: UEOHATPGKDSULR-UHFFFAOYSA-N

• 2-THIOPHENE ETHYLAMINE (CAS: 423-27-0)

• 1-Bromo-5-Chloropentane

IUPAC Name: 1-bromo-5-chloropentane | CAS Registry Number: 54512-75-3
Synonyms: 1-Bromo-5-chloropentane, Pentane, 1-bromo-5-chloro-, 241660_ALDRICH, NSC50474, 16690_FLUKA, CID96070, EINECS 259-193-7, NSC 50474, TL8003573

Molecular Formula:	C₅H₁₀BrCl	Molecular Weight:	185.489900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: PHHNNDKXQVKJEP-UHFFFAOYSA-N

• 1-Fluoronaphthalene

IUPAC Name: 1-fluoronaphthalene | CAS Registry Number: 321-38-0
Synonyms: Naphthalene, 1-fluoro-, 1-FLUORONAPHTHALENE, Fluoronaphthalene, alpha-Fluoronaphthalene, .alpha.-Fluoronaphthalene, 1-Fluornaftalen [Czech], WLN: L66J BF, 196657_ALDRICH, 442266_SUPELCO, NSC 4690, EINECS 206-287-0, NSC4690, JRD-1263, BRN 1906413, LS-94702, TL8002443, 4-05-00-01657 (Beilstein Handbook Reference), InChI=1/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7

Molecular Formula:	C₁₀H₇F	Molecular Weight:	146.160983 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: CWLKTJOTWITYSI-UHFFFAOYSA-N

• 3-Hydroxy Acetophenone

IUPAC Name: 1-(3-hydroxyphenyl)ethanone | CAS Registry Number: 121-71-1
Synonyms: m-Acetylphenol, m-Hydroxyacetophenone, 3'-Hydroxyacetophenone, 3-ACETYLPHENOL, 3-Hydroxyacetophenone, Acetophenone, 3'-hydroxy-, Ethanone, 1-(3-hydroxyphenyl)-, 1-(3-Hydroxyphenyl)ethanone, H18801_ALDRICH, 3-HYDROXY-ACETOPHENONE, 1-(3-Hydroxyphenyl)ethan-1-one, 328103_ALDRICH, 54170_FLUKA, NSC2440, AIDS017967, Acetophenone, 3'-hydroxy- (8CI), AIDS-017967, NSC 2440, EINECS 204-494-0, ZINC00157435

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

InChIKey: LUJMEECXHPYQOF-UHFFFAOYSA-N

• 2-Butyl-4(5)-chloro-5(4)-imidazolecarboxyaldehyde

IUPAC Name: 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde | CAS Registry Number: 83857-96-9
Synonyms: 559881_ALDRICH, BB_SC-4715, ALBB-006040, CID55176, 2-Butyl-4-chloro-5-formylimidazole, ZINC02021507, 2-butyl-4-chloro-1H-imidazole-5-carbaldehyde, ST5408861, 2-BUTYL-5-CHLORO-1H-IMIDAZOLE-4-CARBALDEHYDE, 2-Butyl-5-chloro-1H-imidazole-4-carboxaldehyde, AE-641/15338413

Molecular Formula:	C₈H₁₁ClN₂O	Molecular Weight:	186.638740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JLVIHQCWASNXCK-UHFFFAOYSA-N

• 2,4-Dichloro-5-fluoropyrimidine

IUPAC Name: 2,4-dichloro-5-fluoropyrimidine | CAS Registry Number: 2927-71-1
Synonyms: NCIOpen2_000539, 653233_ALDRICH, NSC70442, CID250705, ZINC01696262, Pyrimidine, 5-fluoro-2,4-dichloro-, A3960/0168745

Molecular Formula:	C₄HCl₂FN₂	Molecular Weight:	166.968543 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WHPFEQUEHBULBW-UHFFFAOYSA-N

• 2-Bromo-6-Methoxy Naphthalene

IUPAC Name: 2-bromo-6-methoxynaphthalene | CAS Registry Number: 5111-65-9
Synonyms: 2-Bromo-6-methoxynaphthalene, Naphthalene, 2-bromo-6-methoxy-, 6-Methoxy-2-bromonaphthalene, 6-Bromo-2-naphthylmethylether, NSC3236, 200174_ALDRICH, 17540_FLUKA, CID78786, NSC 3236, EINECS 225-837-0, ZINC00164677, AI3-18465, ST5308358, InChI=1/C11H9BrO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H

Molecular Formula:	C₁₁H₉BrO	Molecular Weight:	237.092560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: AYFJBMBVXWNYLT-UHFFFAOYSA-N

• 1-Methylindazole-3-carboxylic acid

IUPAC Name: 1-methylindazole-3-carboxylic acid | CAS Registry Number: 50890-83-0
Synonyms: 637645_ALDRICH, ALBB-006391, 1-methyl-1H-indazole-3-carboxylic acid, 1-Methyl-indazole-3-carboxylic acid, CID689105, SBB000193, TL8003376, AQ-358/41297702

Molecular Formula:	C₉H₈N₂O₂	Molecular Weight:	176.172020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: OVVDFORZEGKEJM-UHFFFAOYSA-N

• 4-Ethyl-4'-cyanobiphenyl

IUPAC Name: 4-(4-ethylphenyl)benzonitrile | CAS Registry Number: 58743-75-2
Synonyms: Ambap1007, 4-Cyano-4'-ethylbiphenyl, ZINC01260186, CID93890, EINECS 261-414-7, 4'-Ethyl(1,1'-biphenyl)-4-carbonitrile, 4'-Ethyl[1,1'-biphenyl]-4-carbonitrile, TL8003759, (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-, [1,1'-Biphenyl]-4-carbonitrile, 4'-ethyl-

Molecular Formula:	C₁₅H₁₃N	Molecular Weight:	207.270420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DLLIPJSMDJCZRF-UHFFFAOYSA-N

• 3-Amino-2-hydroxypyridine

IUPAC Name: 3-amino-1H-pyridin-2-one | CAS Registry Number: 59315-44-5
Synonyms: 3-aminopyridin-2-ol, 3-Amino-2-pyridinol, 33630-99-8, 2(1H)-Pyridinone, 3-amino-, 3-aminopyridin-2(1H)-one, 3-Amino-2-pyridone, 3-amino-1H-pyridin-2-one, 3-amino-pyridin-2-ol, NSC279497, 2-HYDROXY-3-AMINOPYRIDINE, ST041905, AE-641/00363028, PubChem1263, 3-Amino-2-pyridinone, ACMC-1AJGZ, 2-Pyridinol, 3-amino-, SureCN87697, 3-aminohydropyridin-2-one, SureCN105350, SureCN9235097

Molecular Formula:	C₅H₆N₂O	Molecular Weight:	110.113940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: VTSFNCCQCOEPKF-UHFFFAOYSA-N

• 2-(2-Thienyl)Ethanol

IUPAC Name: 2-thiophen-2-ylethanol | CAS Registry Number: 5402-55-1
Synonyms: 2-Thiopheneethanol, 2-(2-Thienyl)ethanol, Thiophen-2-ethanol, 2-(2-Hydroxyethyl)thiophene, 2-(2-Thienyl)-ethanol, 2-thiophen-2-yl-ethanol, Ethanol, 2-(2-thienyl)-, T27855_ALDRICH, NSC5136, 95488_FLUKA, CID79400, NSC 5136, EINECS 226-452-0, ZINC00391955, FS011370, ST5437475, TL8003542

Molecular Formula:	C₆H₈OS	Molecular Weight:	128.192120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: VMJOFTHFJMLIKL-UHFFFAOYSA-N

• (3R,4R)-4-Acetoxy-3-[(R)-(t-butyldimethylsilyloxy)ethyl]-2-azetidinone

IUPAC Name: [(2S,3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate | CAS Registry Number: 76855-69-1
Synonyms: (2S,3R)-3-[(1S)-1-[(tert-butyldimethylsilyl)oxy]ethyl]-4-oxoazetidin-2-yl acetate

Molecular Formula:	C₁₃H₂₅NO₄Si	Molecular Weight:	287.427400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: GWHDKFODLYVMQG-PEXQALLHSA-N

• 2-[3-(s)-[3-[2-(7-Chloro-2-Quinolinyl)ethenyl]phenyl]-3-Hydroxypropyl]-Benzoic Acid

IUPAC Name: methyl 2-[(3S)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-hydroxypropyl]benzoate | CAS Registry Number: 142569-69-5
Synonyms: Methyl [E]-2-[3-(S)-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate, (S)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate, 181139-72-0, SureCN202013, BEN747, (S,E)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate, AMX10108, METHYL 2-[(3S)-3-[3-[(1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL]PHENYL]-3-HYDROXYPROPYL]BENZOATE, AC-602, ZINC21983010, AKOS015896146, RL01760, AK-59434, AK102661, KB-78816, FT-0654766, FT-0658846, ST51053180, W3107, I06-1663

Molecular Formula:	C₂₈H₂₄ClNO₃	Molecular Weight:	457.948060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: KPCSDMZEMDMWKQ-SPNSGGJLSA-N

• 2-Chloro-5-fluoropyrimidine

IUPAC Name: 2-chloro-5-fluoropyrimidine | CAS Registry Number: 62802-42-0
Synonyms: 5-Fluoro-2-chloropyrimidine, 2-Chloro-5-fluoro-pyrimidine, 651753_ALDRICH, FS001041, TL8004270, 3S211020

Molecular Formula:	C₄H₂ClFN₂	Molecular Weight:	132.523483 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: AGYUQBNABXVWMS-UHFFFAOYSA-N

• 4-BMA

IUPAC Name: (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoic acid | CAS Registry Number: 90776-58-2
Synonyms: 4-bma, side chain for imipenem, (3S,4S)-3-((R)-(tert-Butyldimethyl-silyloxy)ethyl)-4((R)-carboxyethyl)-2-azetidinone, (3S,4S)-3-[(R)-1-(tert-Butyldimethylsilyloxy)ethyl]-4-[(R)-1-carboxyethyl]-2-azetidinone, (3s,4s)-4-[(r)-1-carboxyethyl]-3-[(r)-1-(t-butyldimethylsilyloxy)ethyl]-2-azetidinone, (r)-2-((2s,3s)-3-((r)-1-(tert-butyldimethylsilyloxy)ethyl)-4-oxoazetidin-2-yl)propanoic acid, (r)-2-[(3s,4s)-3-[(r)-1-(tert-butyldimethylsilyloxy)ethyl]-2-oxoazetidin-4-yl]propionic acid, 4bma, SureCN2328228, CTK5G8408, (3S,4S)-4-[(R)-1-carboxy-ethyl]-3-[(R)-1-(t-butyldimethylsilyloxy)ethyl]-2-azetidinone, MolPort-003-987-419, ANW-39519, AKOS015836361, AKOS015950795, AC-4274, AG-L-25025, AK-94048, K799, AB1004615

Molecular Formula:	C₁₄H₂₇NO₄Si	Molecular Weight:	301.453980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: NNANGMFTFSNDLW-GWOFURMSSA-N

• 1,4-Cyclohexanedione

IUPAC Name: cyclohexane-1,4-dione | CAS Registry Number: 5637-88-7
Synonyms: 637-88-7, Cyclohexane-1,4-dione, TETRAHYDROQUINONE, 1,4-Dioxocyclohexane, 1,4-Cyclohexandione, cyclohexane-1,4-quinone, DCZFGQYXRKMVFG-UHFFFAOYSA-N, 1,4-cyclohexane-dione, Cyclohexan-1,4-dione, PubChem13686, AC1Q6EIN, ACMC-1B8AR, bmse000513, AC1L1ZR0, KSC356M8T, SCHEMBL150852, 125423_ALDRICH, 29070_FLUKA, CHEBI:28286, CTK2F6689

Molecular Formula:	C₆H₈O₂	Molecular Weight:	112.126520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DCZFGQYXRKMVFG-UHFFFAOYSA-N

• 3-[[[(2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid

Synonyms: 3-((2S,4S)-4-Mercapto-1-(((4-nitrobenzyl)oxy)carbonyl)pyrrolidine-2-carboxamido)benzoic acid, Ertapenem Side Chain, SCHEMBL4211429, Jsp004136, MolPort-003-987-563, 2-[[(3-Carboxyphenyl)amino]carbonyl]-4-mercapto-1-pyrrolidinecarboxylic acid (2S-cis)-1-[(4-nitrophenyl)methyl] ester, ANW-53028, CM0048, AKOS015889901, AJ-78391, AK-94049, R523, SC-44581, TC-141773, TL8006263, ST24028256, ST51051778, 3-[[[(2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy), carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid, 3-[[[(2S, 4S)-4-mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid

Molecular Formula:	C₂₀H₁₉N₃O₇S	Molecular Weight:	445.445760 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: RTQKWWOSWDCUMA-IRXDYDNUSA-N

• 4-trans(4-ethyl cyclohexyl) iodobenzene

IUPAC Name: 1-(4-ethylcyclohexyl)-4-iodobenzene | CAS Registry Number: 918826-32-1
Synonyms: SureCN12462974, ZINC49588465, AKOS015888922, 4-(trans-4'-ethylcyclohexyl)iodobenzene, KB-64099, 1-(Trans-4-ethylcyclohexyl)-4-iodobenzene, ST51055530, I14,S1400003, I14-6932, I01-16587

Molecular Formula:	C₁₄H₁₉I	Molecular Weight:	314.205130 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: HPXJRPSRURQYCC-UHFFFAOYSA-N

• (S)-4-phenyl-2-oxazolidinone (CAS: 99395-88-9)

• 2-Thiopheneethylamine

IUPAC Name: 2-thiophen-2-ylethanamine | CAS Registry Number: 30433-91-1
Synonyms: Thiopheneethanamine, Thiopheneethylamine, Thiophene-1-ethylamine, Thiophene-2-ethylamine, 2-(2-Thienyl)ethylamine, .beta.-2-Thienylethylamine, 423270_ALDRICH, EINECS 264-646-7, ZERO/005227, ZERO/005760, EINECS 250-196-9, LS-153085, TL8002346, 64059-34-3

Molecular Formula:	C₆H₉NS	Molecular Weight:	127.207360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: HVLUYXIJZLDNIS-UHFFFAOYSA-N