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• Pinacidil Monohydrate
IUPAC Name: 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine hydrate | CAS Registry Number: 85371-64-8
Synonyms: pinacidil, Pindac, Pinacidil hydrate, Pinacidil anhydrous, Pinacidil (USAN), Anhydrous, Pinacidil, Pindac (TN), PINACIDIL MONOHYDRATE, Pinacidil [USAN:INN], UNII-7B0ZZH8P2W, MLS001148221, MLS001424146, MLS002153255, 60560-33-0 (anhydrous), C13H19N5, CID55329, CPD000466919, SAM001246907, SMR000466919, LS-177861

Molecular Formula: C13H21N5OMolecular Weight: 263.338740 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: AFJCNBBHEVLGCZ-UHFFFAOYSA-N

• Pyridine, 4-iodo-2-(trifluoromethyl)-
IUPAC Name: 4-iodo-2-(trifluoromethyl)pyridine | CAS Registry Number: 590371-73-6
Synonyms: 4-iodo-2-(trifluoromethyl)pyridine, SBB054363, 4-Iodo-2-trifluoromethyl-pyridine, SureCN365253, CTK5A9263, MolPort-000-140-101, ANW-51080, ZINC19616437, 4-iodanyl-2-(trifluoromethyl)pyridine, AKOS015853872, Pyridine,4-iodo-2-(trifluoromethyl)-, AG-G-09647, QC-3518, RP29672, AK-24043, BR-24043, EN001789, KB-39278, AM20061784, FT-0649999

Molecular Formula: C6H3F3INMolecular Weight: 272.994400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OYQSAEIWDLIZHC-UHFFFAOYSA-N

• Quinoline, 4-chloro-7-(phenylmethoxy)-
IUPAC Name: 4-chloro-7-phenylmethoxyquinoline | CAS Registry Number: 178984-56-0
Synonyms: 7-(benzyloxy)-4-chloroquinoline, 7-BENZYLOXY-4-CHLOROQUINOLINE, AG-E-29344, SureCN3898712, 7-Benzyloxy-4-chloroquinoline;, CTK4D7137, 4-chloro-7-phenylmethoxyquinoline, MolPort-008-155-842, ANW-50644, RW3161, 4-chloranyl-7-phenylmethoxy-quinoline, AKOS015839490, QC-2239, Quinoline,4-chloro-7-(phenylmethoxy)-, RP29602, AK-25515, BR-25515, EN003001, KB-45971, AM20050889

Molecular Formula: C16H12ClNOMolecular Weight: 269.725580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: TXHLONYFVBSHDY-UHFFFAOYSA-N

• Rasagiline Mesylate
IUPAC Name: methanesulfonic acid; (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine | CAS Registry Number: 161735-79-1
Synonyms: Azilect, Rasagiline mesylate, Agilect, Rasagiline mesilate, Azilect (TN), Rasagiline methanesulfonate, Rasagiline mesylate [USAN], Rasagiline mesylate (USAN), TVP-1012, TVP 1012, (+)-AGN-1135, LS-186552, D02562, (R)-N-2-Propynyl-1-indanamine methanesulfonate, 1H-Inden-1-amine, 2,3-dihydro-N-2-propynyl-, (R)-, methanesulfonate

Molecular Formula: C13H17NO3SMolecular Weight: 267.343980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JDBJJCWRXSVHOQ-UTONKHPSSA-N

• Rimonabant
IUPAC Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide hydrochloride | CAS Registry Number: 158681-13-1
Synonyms: Acomplia, Zimulti, Rimonabant hydrochloride, SR 141716A, SR141716A, Sanofi-Synthelabo brand of rimonabant, SR-141716A, SR141716, LS-128225, SR 141716, C089032, N-(Piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide hydrochloride, 1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-, monohydrochloride, 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide monohydrochloride

Molecular Formula: C22H22Cl4N4OMolecular Weight: 500.248280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: REOYOKXLUFHOBV-UHFFFAOYSA-N

• Rimonabant(acomplia,SR141716)
IUPAC Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide | CAS Registry Number: 168273-06-1
Synonyms: Rimonabant, Acomplia, Rimoslim, Zimulti, Acomplia (TN), nchembio.129-comp21, Rimonabant (USAN/INN), Rimonabant [USAN:INN], UNII-RML78EN3XE, Bio-0091, CHEBI:116088, AIDS342676, AIDS-342676, SR 141716, CID104850, SR141716A, ZINC01540228, [3H]SR141716A, SR-141716A, A 281

Molecular Formula: C22H21Cl3N4OMolecular Weight: 463.787340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-N

• Tempo
IUPAC Name: 1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidine | CAS Registry Number: 2564-83-2
Synonyms: Tanane, Tanan, TEMPO, Tetramethylpiperidinooxy, Tetramethylpiperidine nitroxide, C9H19NO, 2,2,6,6-Tetramethylpiperidoxyl, 2,2,6,6-Tetramethylpiperidinooxy, 214000_ALDRICH, 426369_ALDRICH, 2,2,6,6-Tetramethylpiperidinooxyl, 2,2,6,6-Tetramethylpiperidinyloxy, 87903_FLUKA, CHEBI:32849, EINECS 219-888-8, 2,2,6,6-Tetramethyl-1-piperidinyloxy, 2,2,6,6-Tetramethylpiperidine-1-oxyl, BRN 1422418, 1-Piperidinyloxy, 2,2,6,6-tetramethyl-, PIPERIDINOOXY, 2,2,6,6-TETRAMETHYL-

Molecular Formula: C9H18NOMolecular Weight: 156.245320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QYTDEUPAUMOIOP-UHFFFAOYSA-N

• Tenofovir Disoproxil
IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate | CAS Registry Number: 201341-05-1
Synonyms: PMPA prodrug, Bis(POC)PMPA, Tenofovir disoproxil, Tenofovir Disoproxil Fumarate, Viread (*1:1 Fumarate salt*), AIDS080741, Bis(isopropyloxymethylcarbonyl)PMPA, AIDS-080741, GS 4331-05 (*1:1 Fumarate salt*), LS-187012, LS-187786, 202138-50-9 (1:1 FUMARATE SALT), 9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine, 9-[(R)-2-[[Bis[[(isopropoxycarbonyl)oxy] methoxy]phosphinyl]methoxy]propyl]adenine, TDF

Molecular Formula: C19H30N5O10PMolecular Weight: 519.442761 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 15

InChIKey: JFVZFKDSXNQEJW-CQSZACIVSA-N

• Thiazol-4-Ylmethanamine
IUPAC Name: 4-(chloromethyl)-1,3-thiazole | CAS Registry Number: 3364-76-9
Synonyms: 4-(chloromethyl)-1,3-thiazole, STK502749, ZINC02566814, ALBB-003859, CID2763290

Molecular Formula: C4H4ClNSMolecular Weight: 133.599260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QKWSLYINUYKIRF-UHFFFAOYSA-N

• Thiazole, 2-(chloromethyl)-
IUPAC Name: 2-(chloromethyl)-1,3-thiazole | CAS Registry Number: 3364-78-1
Synonyms: 2-(CHLOROMETHYL)THIAZOLE, 2-Chloromethyl-thiazole, 2-(chloromethyl)-1,3-thiazole, THIAZOLE, 2-(CHLOROMETHYL)-, AG-F-13749, SureCN345097, AGN-PC-000DCW, Thiazole,2-(chloromethyl)-, CTK4H1021, ALBB-015136, ANW-47246, AKOS005175046, AB42463, MCULE-1185780356, QC-2464, RP01014, AK-72578, BL005472, BR-72578, KB-22886

Molecular Formula: C4H4ClNSMolecular Weight: 133.599260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZHAKAIBZKYHXJS-UHFFFAOYSA-N

• Thiazole-4-Carboxylic Acid
IUPAC Name: 1,3-thiazole-4-carboxylic acid | CAS Registry Number: 3973-08-8
Synonyms: 4-Thiazolecarboxylic acid, Thiazole-4-carboxylic acid, 633658_ALDRICH, 1,3-THIAZOLE-4-CARBOXYLIC ACID, NSC195467, SBB010166, DB03422, T2163G1, 2-oxo-3H-1,3-thiazole-4-carbaldehyde, BAS 07094730, AN-604/40744409

Molecular Formula: C4H3NO2SMolecular Weight: 129.137120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HMVYYTRDXNKRBQ-UHFFFAOYSA-N

• Thiazyl Chloride
Synonyms: Thiazyl chloride, Thionitrosyl chloride, CID140196

Molecular Formula: ClNSMolecular Weight: 81.524700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FWVIYFTZAHMHIO-UHFFFAOYSA-N

• Thiophene-2,3-Dicarboxylic Acid
IUPAC Name: 2-isocyanato-1,3-thiazole | CAS Registry Number: 71189-23-6
Synonyms: 2-Isocyanato-Thiazole, 2-Isocyanatothiazole, 2-Thiazolylisocyanate, Thiazole, 2-isocyanato-, 2-THIAZOLE ISOCYANATE, CTK2H7057, MolPort-005-940-800, 2-ISOCYANATO-1,3-THIAZOLE, ACT03680, ANW-45374, ZINC22001992, AKOS006227731, AB45691, AC-5190, AG-K-72747, AK-73152, KB-173325

Molecular Formula: C4H2N2OSMolecular Weight: 126.136480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MXJQJCACXRHPOV-UHFFFAOYSA-N

• THIOPHENE-3-METHYL CHLORIDE
IUPAC Name: 3-(chloromethyl)thiophene | CAS Registry Number: 2746-23-8
Synonyms: 3-(chloromethyl)thiophene, 3-Chloromethyl-thiophene, SureCN168516, Thiophene-3-methyl chloride, (Thien-3-yl)methyl chloride, CTK8H9547, MolPort-001-769-378, OR6634, ZINC16124406, AKOS000262234, QC-6005, RP20035, AK111544, AM100610, KB-31291

Molecular Formula: C5H5ClSMolecular Weight: 132.611200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KKWWFYAKOFXBEY-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: C5H6N2O2Molecular Weight: 126.113340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: RWQNBRDOKXIBIV-UHFFFAOYSA-N

• Tizanidine
IUPAC Name: 6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-7-amine | CAS Registry Number: 51322-75-9
Synonyms: tizanidine, Sirdalud, Ternelin, Zanaflex, Tizanidinum [INN-Latin], Tizanidine hydrochloride, Tizanidina [INN-Spanish], Tizanidine [INN:BAN], C9H8ClN5S, CID5487, BB_SC-4087, BRN 0618691, DB00697, NCGC00160529-01, NCGC00160529-02, NCGC00160529-03, NCGC00160529-04, LS-40470, C07452, 2,1,3-Benzothiadiazole, 5-chloro-4-(2-imidazolin-2-ylamino)-

Molecular Formula: C9H8ClN5SMolecular Weight: 253.711320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XFYDIVBRZNQMJC-UHFFFAOYSA-N

• Tizanidine HCL
IUPAC Name: 6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-7-amine hydrochloride | CAS Registry Number: 64461-82-1
Synonyms: Zanaflex, Tizanidine hydrochloride, Sirdalud, Ternelin, Tizanidine Hcl, Zanaflex (TN), C9H8ClN5S.HCl, tizanidine monohydrochloride, MLS001076686, MLS001306412, MLS001333593, T6950_SIGMA, DS-103282 ch, AN-021A, NVD-422, Tizanidine hydrochloride [USAN:JAN], Tizanidine hydrochloride (JP15/USAN), DS 103-282, LS-40461, SMR000499584

Molecular Formula: C9H9Cl2N5SMolecular Weight: 290.172260 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: ZWUKMNZJRDGCTQ-UHFFFAOYSA-N

• Voriconazole
IUPAC Name: (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol | CAS Registry Number: 137234-62-9
Synonyms: Vfend, Vfend (TN), Pfizer brand of voriconazole, MLS000759464, MLS001424082, Voriconazole (JAN/USAN/INN), Voriconazole [USAN:BAN:INN], Voriconazole [USAN:INN:BAN], DRG-0301, AIDS045515, AIDS-045515, UK-109496, UK-109,496, DB00582, CPD000466350, SAM001246664, SMR000466350, LS-181799, TL8000858, UK 109496

Molecular Formula: C16H14F3N5OMolecular Weight: 349.310470 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: BCEHBSKCWLPMDN-MGPLVRAMSA-N

• 2,4-Dihydroxy-5-nitropyrimidine
IUPAC Name: 5-nitro-1H-pyrimidine-2,4-dione | CAS Registry Number: 611-08-5
Synonyms: 5-Nitrouracil, Uracil, 5-nitro-, 2,4(1H,3H)-Pyrimidinedione, 5-nitro-, NSC9790, 852767_ALDRICH, NSC 9790, STOCK3S-44139, EINECS 210-250-4, AIDS081818, AIDS-081818, ZINC00967347, 5-Nitro-2,4(1H,3H)-pyrimidinedione, AI3-25473, 2,4-DIHYDROXY-5-NITRO PYRIMIDINE, TL806212, LS-135404, ST5072152, AG-670/31547031, SR-01000390728-2

Molecular Formula: C4H3N3O4Molecular Weight: 157.084320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: TUARVSWVPPVUGS-UHFFFAOYSA-N

• 4,6-Dihydroxy-2-methylmercaptopyrimide
IUPAC Name: 4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one | CAS Registry Number: 1979-98-2
Synonyms: Maybridge4_004721, D114804_ALDRICH, 2-Methylthiopyrimidine-4,6-diol, 2-Methylthio-4,6-pyrimidinedione, NSC44557, EINECS 217-839-5, ZINC00155003, ZINC01995082, SDCCGMLS-0064589.P001, 4,6-Dihydroxy-2-(methylthio)pyrimidine, 4,6-Dihydroxy-2-methylmercaptopyrimidine, NCGC00175598-01, 4,6-Dihydroxy-2-(methylmercapto)pyrimidine, ST5101852, 4(1H)-Pyrimidinone, 6-hydroxy-2-(methylthio)-, 4,6-DIHYDROXY-2-METHYL-MERCAPTOPYRIMIDINE

Molecular Formula: C5H6N2O2SMolecular Weight: 158.178340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AEXCUJUYEZIWJV-UHFFFAOYSA-N

• 4-(bromomethyl)thiazole
IUPAC Name: 4-(bromomethyl)-1,3-thiazole | CAS Registry Number: 52829-53-5
Synonyms: 4-(bromomethyl)-1,3-thiazole, SBB054932, 4-Bromomethyl-thiazole, 4-(Bromomethyl)thiazole;, SureCN345392, Thiazole,4-(bromomethyl)-, CTK4J6582, MolPort-009-196-953, ANW-72526, ZINC20358139, AKOS012322054, AG-F-80504, QC-6278, RP03090, AK-35498, KB-71618, AB1007849, FT-0647160, Y9346, A23326

Molecular Formula: C4H4BrNSMolecular Weight: 178.050260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZEQYITAZUKBNKO-UHFFFAOYSA-N

• 7-Deazaguanine
IUPAC Name: 2-amino-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one | CAS Registry Number: 7355-55-7
Synonyms: Purine analog, D1035_SIGMA, NSC62498, AIDS045539, AIDS-045539, CID96253, ZINC18187616, STT-00320690, 2-Amino-4-hydroxypyrrolo[2,3-d]pyrimidine, 2-Amino-7H-pyrrolo[2,3-d]pyrimidin-4-ol, 4,6-dimethoxy-3-methylisothiazolo[5,4-b]pyridine, 2-Amino-4-hydroxy-?pyrrolo-?[2,3-d]-?pyrimidine, S14-0069, 2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one, isothiazolo[5,4-b]pyridine, 4,6-dimethoxy-3-methyl-, 4H-Pyrrolo(2,3-d)pyrimidin-4-one, 2-amino-1,7-dihydro-, InChI=1/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11, 7DG

Molecular Formula: C6H6N4OMolecular Weight: 150.138040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: OLAFFPNXVJANFR-UHFFFAOYSA-N

• 4-Keto-L-Proline Hydrobromide
IUPAC Name: 4-oxopyrrolidine-2-carboxylic acid bromide | CAS Registry Number: 75776-67-9
Synonyms: NSC49884

Molecular Formula: C5H7BrNO3-Molecular Weight: 209.017980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: SFSROLZHCPCODJ-UHFFFAOYSA-M

• 6,7-Dimethoxy-L-1,2,3,4-Tetrahydroisoquinoline 3-Carboxylic Acid Hydrochloride
IUPAC Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate | CAS Registry Number: 103733-66-0
Synonyms: ZINC00404044, ZINC00404045, CID6951266

Molecular Formula: C12H15NO4Molecular Weight: 237.251800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BWYXEHBJIMGDEB-VIFPVBQESA-N

• 2,6-Dichloro-3-fluoropyridine
IUPAC Name: 2,6-dichloro-3-fluoropyridine | CAS Registry Number: 52208-50-1
Synonyms: AG-F-77724, PubChem15136, AGN-PC-00LWD8, CTK4J5602, Pyridine,2,6-dichloro-3-fluoro-, Pyridine, 2,6-dichloro-3-fluoro-, ANW-51943, ZINC39474828, AKOS006311785, AF10104, QC-7003, RP02446, AK-32231, BR-32231, KB-18162, FT-0648120, ST51052476, W6701, I02-1657, 2,6-Dichloro-3-fluoropyridine;pyridine, 2,6-dichloro-3-fluoro-;

Molecular Formula: C5H2Cl2FNMolecular Weight: 165.980483 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YAXSIJLRAOURJK-UHFFFAOYSA-N

• 2-(Aminoethyl)-1-N-Boc-piperidine
IUPAC Name: 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethylazanium | CAS Registry Number: 239482-98-5
Synonyms: ZINC04202302, CID7128316

Molecular Formula: C12H25N2O2+Molecular Weight: 229.339100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QLEBCEWTHGUFFL-SNVBAGLBSA-O

• 4-Amino-3,5-dichloro-2,6-difluoropyridine
IUPAC Name: 3,5-dichloro-2,6-difluoropyridin-4-amine | CAS Registry Number: 2840-00-8
Synonyms: ZINC01840989, CID76089, EINECS 220-630-1, SBB000376, 3,5-Dichloro-2,6-difluoropyridin-4-amine, 4-Pyridinamine, 3,5-dichloro-2,6-difluoro-

Molecular Formula: C5H2Cl2F2N2Molecular Weight: 198.985586 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BEGINUFBBRTGBH-UHFFFAOYSA-N

• 4-Amino-5-chloro-2,1,3-benzothiadiazole
IUPAC Name: 6-chloro-2,1,3-benzothiadiazol-7-amine | CAS Registry Number: 30536-19-7
Synonyms: Oprea1_447513, CID771620, ZINC00254834, BAS 00347563, 5-Chlorobenzo[1,2,5]thiadiazol-4-ylamine, 5-Chloro-benzo[1,2,5]thiadiazol-4-ylamine, EU-0033553

Molecular Formula: C6H4ClN3SMolecular Weight: 185.634060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MURNIACGGUSMAP-UHFFFAOYSA-N

• 2-bromo-3-fluoro-4-methylpyridine
IUPAC Name: 2-bromo-3-fluoro-4-methylpyridine | CAS Registry Number: 884494-37-5
Synonyms: 2-Bromo-3-fluoro-4-picoline, PubChem10596, CTK6C3126, MolPort-002-041-229, ACT01525, ZINC02526712, AKOS006292120, AG-C-30631, QC-7460, RP24945, YF10016, AK-36691, BR-36691, KB-21169, 2-BROMO-3-FLUORO-4-METHYL PYRIDINE, AM20061776, FT-0080710, FT-0650931, ST51052486, V1680

Molecular Formula: C6H5BrFNMolecular Weight: 190.013003 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XEYHVDSBHMACII-UHFFFAOYSA-N

• 1,3-dichloroisoquinoline
IUPAC Name: 1,3-dichloroisoquinoline | CAS Registry Number: 7742-73-6
Synonyms: 1,3-Dichloro-isoquinoline, isoquinoline, 1,3-dichloro-, 368830_ALDRICH, NSC170843, SBB003563, ZINC00331717, UX00003652, AC-907/25014223, InChI=1/C9H5Cl2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5

Molecular Formula: C9H5Cl2NMolecular Weight: 198.048700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BRGZEQXWZWBPJH-UHFFFAOYSA-N

• 2-Amino-4-Methylthiazole
IUPAC Name: 4-methyl-1,3-thiazol-2-amine | CAS Registry Number: 1603-91-4
Synonyms: Normotiroide, 2-Amino-4-methylthiazole, 2-Thiazolamine, 4-methyl-, Thiazole, 2-amino-4-methyl-, 4-Methyl-2-aminothiazole, 4-Methyl-2-thiazolylamine, 4-Methylthiazol-2-ylamine, 4-METHYL-2-THIAZOLAMINE, A66006_ALDRICH, MLS000069416, 4-Methyl-1,3-thiazol-2-amine, NSC40462, EINECS 216-505-6, 2-AMINO-4-METHYLTHIAZOLE HCl, SBB004307, ZINC01508691, SMR000059048, AI3-61054, TL8001217, 24T

Molecular Formula: C4H6N2SMolecular Weight: 114.168840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OUQMXTJYCAJLGO-UHFFFAOYSA-N

• 2-Amino-5-Methylthiazole
IUPAC Name: 5-methyl-1,3-thiazol-2-amine | CAS Registry Number: 7305-71-7
Synonyms: 2-Amino-5-methylthiazole, Thiazole, 2-amino-5-methyl-, 2-Thiazolamine, 5-methyl-, 380563_ALDRICH, NSC523150, STK320523, TL8005084, InChI=1/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6, 25T

Molecular Formula: C4H6N2SMolecular Weight: 114.168840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GUABFMPMKJGSBQ-UHFFFAOYSA-N

• 2,4-Dichloropyrimidine
IUPAC Name: 2,4-dichloropyrimidine | CAS Registry Number: 3934-20-1
Synonyms: Pyrimidine, 2,4-dichloro-, nchembio826-comp5, 2,6-Dichloropyrimidine, 143847_ALDRICH, AIDS167215, AIDS-167215, ALBB-006256, NSC20212, NSC37531, NSC49119, EINECS 223-508-6, NSC 20212, NSC 37531, NSC 49119, ZINC01571020, D2489G5, AI3-26561, TL8002842, T5421466, InChI=1/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/h1-2

Molecular Formula: C4H2Cl2N2Molecular Weight: 148.978080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BTTNYQZNBZNDOR-UHFFFAOYSA-N

• 2-Mercaptothiophene
IUPAC Name: thiophene-2-thiol | CAS Registry Number: 7774-74-5
Synonyms: 2-Thiophenethiol, Thienylmercaptan, 2-Thienylthiol, Thiophene-2-thiol, 2-Thienyl mercaptan, 2-Thienyl hydrosulfide, alpha-Thienyl mercaptan, W306207_ALDRICH, FEMA No. 3062, EINECS 231-881-1, ZINC02169156, KM 01273, TL806213

Molecular Formula: C4H4S2Molecular Weight: 116.204560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SWEDAZLCYJDAGW-UHFFFAOYSA-N

• 4-N-boc-Piperidine
IUPAC Name: tert-butyl N-piperidin-4-ylcarbamate | CAS Registry Number: 73874-95-0
Synonyms: 4-Boc-aminopiperidine, 4-Boc-amino-piperidine, Maybridge2_000784, 4-(N-Boc-amino)piperidine, MixCom4_000233, 540935_ALDRICH, BB_SC-4784, tert-butyl piperidin-4-ylcarbamate, ALBB-000294, IDI1_001977, TL8005109, SR-01000004625-2

Molecular Formula: C10H20N2O2Molecular Weight: 200.278000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CKXZPVPIDOJLLM-UHFFFAOYSA-N

• 2-Chloromethyl Thiophene
IUPAC Name: 2-(chloromethyl)thiophene | CAS Registry Number: 765-50-4
Synonyms: 2-chloromethylThiophene, 2-(Chloromethyl)thiophene, 2-(Chloromethyl)-thiophene, Thiophene, 2-(chloromethyl)-, EINECS 212-150-6, TL8005237

Molecular Formula: C5H5ClSMolecular Weight: 132.611200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FUOHKPSBGLXIRL-UHFFFAOYSA-N

• 2,4-Dimethyl Quinoline
IUPAC Name: 2,4-dimethylquinoline | CAS Registry Number: 1198-37-4
Synonyms: 4-Methylquinaldine, 2,4-DIMETHYLQUINOLINE, Quinoline, 2,4-dimethyl-, Ambap3077, NSC62132, EINECS 214-832-9, NSC 62132, ZINC01691032, AI3-08881, InChI=1/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H

Molecular Formula: C11H11NMolecular Weight: 157.211740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZTNANFDSJRRZRJ-UHFFFAOYSA-N

• 5-Hydroxy Indole
IUPAC Name: 1H-indol-5-ol | CAS Registry Number: 1953-54-4
Synonyms: 5-Hydroxyindole, 1H-Indol-5-ol, INDOL-5-OL, 5-Hydroxy-1H-indole, Hydroxy-5 indole, 5-Indolol, Hydroxy-5 indole [French], CCRIS 4422, NCIOpen2_001272, WLN: T56 BMJ GQ, 1H-Indol-5-ol (9CI), H31859_ALDRICH, Hydroxy-5 indole [French], MLS000039632, 5-HI, EINECS 217-782-6, NSC 87503, NSC87503, BRN 0112349, NSC-87503

Molecular Formula: C8H7NOMolecular Weight: 133.147280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LMIQERWZRIFWNZ-UHFFFAOYSA-N

• 5-Bromomethylthiazole
IUPAC Name: 5-(bromomethyl)-1,3-thiazole | CAS Registry Number: 167998-61-0
Synonyms: 5-(bromomethyl)thiazole, 5-Bromomethyl-thiazole, SureCN177681, Thiazole,5-(bromomethyl)-, 5-BROMOMETHYLTHIAZOLE, CTK4D2836, AKOS015911727, AG-E-17337, QC-4073, RP03087, KB-42493, KB204852, AM20090008, Y7777, I14-37263

Molecular Formula: C4H4BrNSMolecular Weight: 178.050260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SOILBLIIPUYFLH-UHFFFAOYSA-N

• 2-Bromomethylthiophene
IUPAC Name: 2-(bromomethyl)thiophene | CAS Registry Number: 45438-73-1
Synonyms: 2-(bromomethyl)thiophene, 2-BROMOMETHYLTHIOPHENE, SureCN354163, AGN-PC-00H12Q, Thiophene, 2-(bromomethyl)-, 2-(BROMOMETHYL)-THIOPHENE, MolPort-001-787-340, ANW-59715, AKOS013400768, AG-L-16150, QC-3504, AK-40141, KB-169099, FT-0647127, X6270

Molecular Formula: C5H5BrSMolecular Weight: 177.062200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QZOBOLDDGXPTBP-UHFFFAOYSA-N

• 2,4-Diamino-6-Chloro Pyrimidine
IUPAC Name: 6-chloropyrimidine-2,4-diamine | CAS Registry Number: 156-83-2
Synonyms: 4-Chloro-2,6-diaminopyrimidine, 6-Chloro-2,4-diaminopyrimidine, C33204_ALDRICH, 2,4-Diamino-6-chloropyrimidine, 2,6-Diamino-4-chloropyrimidine, 4-chloro-2,6-diamino pyrimidine, NSC8818, AIDS022726, 2,4-Pyrimidinediamine, 6-chloro-, AIDS-022726, EINECS 205-863-9, 2-amino-6-chloro-4-pyrimidinylamine, SBB004123, ZINC00967399, AI3-51949, C-3550, AE-861/30098081

Molecular Formula: C4H5ClN4Molecular Weight: 144.562300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QJIUMVUZDYPQRT-UHFFFAOYSA-N

• 2,5-Dichlorothiophene
IUPAC Name: 2,5-dichlorothiophene | CAS Registry Number: 3172-52-9
Synonyms: 2,5-DICHLOROTHIOPHENE, 2,-Dichlorothiophene, Thiophene, 2,5-dichloro-, D75807_ALDRICH, AIDS018336, AIDS-018336, NSC60527, EINECS 221-638-8, NSC 60527, ZINC01690277, SB 00617, TL8002424, InChI=1/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2

Molecular Formula: C4H2Cl2SMolecular Weight: 153.029680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FGYBDASKYMSNCX-UHFFFAOYSA-N

• 4,6-Dichloro Pyrimidine
IUPAC Name: 4,6-dichloropyrimidine | CAS Registry Number: 1193-21-1
Synonyms: 4,6-Dichloropyrimidine, nchembio760-comp5, Pyrimidine, 4,6-dichloro-, 145378_ALDRICH, 36420_FLUKA, NSC37530, EINECS 214-770-2, NSC 37530, ZINC01670096, D2356G5, NCI60_003520, TL806271, AI3-26563, T5636961, InChI=1/C4H2Cl2N2/c5-3-1-4(6)8-2-7-3/h1-2

Molecular Formula: C4H2Cl2N2Molecular Weight: 148.978080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XJPZKYIHCLDXST-UHFFFAOYSA-N

• 5-Methoxylindole
IUPAC Name: 5-methoxy-1H-indole | CAS Registry Number: 1006-94-6
Synonyms: Femedol, 5-Methoxy-1H-indole, 5-METHOXYINDOLE, Indole, 5-methoxy-, 1H-Indole, 5-methoxy-, Methoxy-5 indole, Indol-5-yl methyl ether, Methoxy-5 indole [French], M14900_ALDRICH, 1H-Indol-5-yl methyl ether, Methoxy-5 indole [French], WLN: T56 BMJ GO1, EINECS 213-745-3, 1H-Indole, 5-methoxy- (9CI), NSC 521752, CID13872, NSC521752, SBB004094, ZINC00158156, M2323G1

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DWAQDRSOVMLGRQ-UHFFFAOYSA-N

• 2-Thiazolecarboxaldehyde
IUPAC Name: 1,3-thiazole-2-carbaldehyde | CAS Registry Number: 10200-59-6
Synonyms: 2-Formylthiazole, 2-KETOTHIAZOLE, 1,3-thiazole-2-carbaldehyde, 422460_ALDRICH, ZINC02512364, CID2734903, CC 09504, TL8000109, InChI=1/C4H3NOS/c6-3-4-5-1-2-7-4/h1-3, KTH

Molecular Formula: C4H3NOSMolecular Weight: 113.137720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZGTFNNUASMWGTM-UHFFFAOYSA-N

• 5-Methylindole
IUPAC Name: 5-methyl-1H-indole | CAS Registry Number: 614-96-0
Synonyms: 5-Methylindol, Indole, 5-methyl-, 5-METHYLINDOLE, 5-Methyl-1H-indole, 1H-Indole, 5-methyl-, Indole, 5-methyl- (8CI), 222410_ALDRICH, 1H-Indole, 5-methyl- (9CI), BB_SC-1558, EINECS 210-400-9, NSC522562, ZINC01605250, M2329G1, NSC 522562, TL8003895, M-3914, InChI=1/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H

Molecular Formula: C9H9NMolecular Weight: 131.174460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YPKBCLZFIYBSHK-UHFFFAOYSA-N

• 4-Aminoindole
IUPAC Name: 1H-indol-4-amine | CAS Registry Number: 5192-23-4
Synonyms: 4-Indolamine, 1H-Indol-4-amine, 525022_ALDRICH, 08244_FLUKA, ZINC00153904, CID583431, TL8003436, 2P-050, A-5600

Molecular Formula: C8H8N2Molecular Weight: 132.162520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LUNUNJFSHKSXGQ-UHFFFAOYSA-N

• 3-Aminopiperidine dihydrochloride
IUPAC Name: piperidin-3-amine;dihydrochloride | CAS Registry Number: 138060-07-8
Synonyms: 3-Aminopiperidine 2HCl, piperidin-3-amine dihydrochloride, PubChem6755, ACMC-209tvl, SureCN306091, 3-AMINOPIPERIDINE HCL, KSC839O8J, 293369_ALDRICH, 3-piperidinamine dihydrochloride, Jsp002286, CTK7D9784, MolPort-000-000-369, ACT02106, 3-Amino-Piperidine Di-Hydrochloride, AC-876, OR6131, AKOS015894260, AG-B-95894, AM81346, AK-33202

Molecular Formula: C5H14Cl2N2Molecular Weight: 173.084060 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: GGPNYXIOFZLNKW-UHFFFAOYSA-N

• 5-Cyanoindole
IUPAC Name: 1H-indole-5-carbonitrile | CAS Registry Number: 15861-24-2
Synonyms: 1H-Indole-5-carbonitrile, INDOLE-5-CARBONITRILE, C92006_ALDRICH, EINECS 239-986-4, SBB004148, ZINC00157017, LS-82429, TL8001198, C-8840, InChI=1/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11

Molecular Formula: C9H6N2Molecular Weight: 142.157340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YHYLDEVWYOFIJK-UHFFFAOYSA-N

• 5-Nitroindole
IUPAC Name: 5-nitro-1H-indole | CAS Registry Number: 6146-52-7
Synonyms: 5-Nitro-1H-indole, 1H-Indole, 5-nitro-, INDOLE, 5-NITRO-, CCRIS 3255, Oprea1_492280, N17602_ALDRICH, EINECS 228-153-0, 1H-Indole, 5-nitro- (9CI), NSC520594, ZINC00105247, LS-83315, SB 01605, ST5406179, TL8003894, N-3000

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OZFPSOBLQZPIAV-UHFFFAOYSA-N


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