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• 1-Piperidinecarboxamide, N-[(3R,6S)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl]-4-(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-

IUPAC Name: N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide | CAS Registry Number: 781649-09-0
Synonyms: Telcagepant, MK-0974, MK 0974, MK0974, Telcagepant (USAN), CHEMBL236593, CHEBI:502280, N-(6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-4-(2-oxo-2,3-dihydro-1H-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxamide, D09391, N-[(3R,6S)-6-(2,3-Difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl]-4-(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxamide, N7R, CID11319053, 3n7r, CID 11169048, SureCN1198535, UNII-D42O649ALL, C525458, cc-519, QCR-140, N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

Molecular Formula:	C₂₆H₂₇F₅N₆O₃	Molecular Weight:	566.522996 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: CGDZXLJGHVKVIE-DNVCBOLYSA-N

• 2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-, 1,1-dioxide, (S)-

IUPAC Name: (4S)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide | CAS Registry Number: 154127-42-1
Synonyms: AG-E-01977, (4S)-1,1-dioxide-3,4-dihydro-4-hydroxy-2-, (S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, (S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide, (S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2h-thieno(3,2-e)-1,2-thiazine-6-sulfonamide 1,1-dioxide, SureCN2631258, CTK4C8122, MolPort-005-940-986, (S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-4H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide, ANW-44505, ZINC22002682, AKOS015897318, RL01975, (S)-4-Hydroxy-2-(3-methoxy-propyl)-, AK-93442, KB-80460, FT-0652537, ST51053549, X0075, I09-0606

Molecular Formula:	C₁₀H₁₆N₂O₆S₃	Molecular Weight:	356.438840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: UHIWBQIWXWWDKT-MRVPVSSYSA-N

• 2-(1-Cyclohexenyl)Ethylamine

IUPAC Name: 2-cyclohexen-1-ylethanamine | CAS Registry Number: 3399-73-3
Synonyms: Cyclohexenylethylamine, 1-Cyclohexene-1-ethanamine, Cyclohexylethylamine, 2-(1-Cyclohexenyl)ethylamine, 1-Cyclohexen-1-ylethylamine, Cyclohex-1-ene-1-ethylamine, 2-(1-Cyclohexen-1-yl)ethylamine, 255866_ALDRICH, beta-(1-Cyclohexenyl)ethylamine, .beta.-(1-Cyclohexenyl)ethylamine, CID76938, NSC26453, EINECS 222-267-4, NSC 26453, BBR-007456

Molecular Formula:	C₈H₁₅N	Molecular Weight:	125.211400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: IUDMXOOVKMKODN-UHFFFAOYSA-N

• 3-Hexylthiophene

IUPAC Name: 3-hexylthiophene | CAS Registry Number: 1693-86-3
Synonyms: 399051_ALDRICH, ZINC02512478, CID566849, ST5306942

Molecular Formula:	C₁₀H₁₆S	Molecular Weight:	168.299040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: JEDHEMYZURJGRQ-UHFFFAOYSA-N

• 5,6-dihydro-(R,S)-4-acetoxy-(S)-6-methy1 -4H-thieno[2,3-b]thiopyran 7,7-dioxide

IUPAC Name: (4R,6R)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol | CAS Registry Number: 147128-77-6
Synonyms: SBB056332, (4R,6R)-6-Methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol 7,7-dioxide, CTK7F2777, MolPort-009-197-063, ZINC01851068, AG-B-75584, I14-35989, (2R,4R)-4-hydroxy-2-methyl-2H,3H,4H-thiopheno[3,2-e]thiin-1,1-dione

Molecular Formula:	C₈H₁₀O₃S₂	Molecular Weight:	218.293200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: NFUQUGUUAUVBMO-IYSWYEEDSA-N

• 3-Dimethylaminopropyltriphenylphosphonium Bromide

IUPAC Name: 3-(dimethylamino)propyl-triphenylphosphanium;bromide | CAS Registry Number: 18355-96-9
Synonyms: (3-(Dimethylamino)propyl)triphenylphosphonium bromide, ACMC-20ah0y, AGN-PC-00QQZ0, 305855_ALDRICH, CTK8C4752, MolPort-003-929-704, ANW-72992, AKOS015917632, AK109199, TL8001477, FT-0688271, I14-9858, Phosphonium, [3-(dimethylamino)propyl]triphenyl-, bromide, Phosphonium, [3-(dimethylamino)propyl]triphenyl-, bromide (1:1)

Molecular Formula:	C₂₃H₂₇BrNP	Molecular Weight:	428.344942 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SSWPSKSQQSJKKF-UHFFFAOYSA-M

• 2,2',5,5'-TETRACHLOROBIPHENYL

IUPAC Name: 1,4-dichloro-2-(2,5-dichlorophenyl)benzene | CAS Registry Number: 35693-99-3
Synonyms: TCBP, PCB 52, 2,5,2',5'-Tetrachlorobiphenyl, BCR293_FLUKA, 2,3',5,6'-Tetrachlorobiphenyl, CCRIS 6155, 1,1'-Biphenyl, 2,2',5,5'-tetrachloro-, CHEBI:34206, 2,2 ,5,5 -tetrachlorobiphenyl, 2,2',5,5'-TCB, MolPort-003-940-580, 2,2',5,5'-Tetrachloro-1,1'-biphenyl, CID37248, BRN 2053828, LS-44549, C14199, 4-05-00-01818 (Beilstein Handbook Reference), C009407, 2,2',5,5'-Tetrachlorobiphenyl (IUPAC No. 52), InChI=1/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6

Molecular Formula:	C₁₂H₆Cl₄	Molecular Weight:	291.988040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: HCWZEPKLWVAEOV-UHFFFAOYSA-N

• (2-Bromomethyl)-4-chloro-1-nitrobenzene

IUPAC Name: 2-(bromomethyl)-4-chloro-1-nitrobenzene | CAS Registry Number: 31577-25-0
Synonyms: PubChem23169, SureCN68713, CTK1B2743, MolPort-009-200-100, SC3751, ZINC47818659, AKOS014097117, 5-CHLORO-2-NITRO-BENZYLBROMIDE, AG-L-22901, RP28914, AK-49676, BR-49676, KB-01020, W5356, Benzene, 2-(bromomethyl)-4-chloro-1-nitro-, 2-(BROMOMETHYL)-4-CHLORO-1-NITROBENZENE, I01-9656

Molecular Formula:	C₇H₅BrClNO₂	Molecular Weight:	250.477100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: BHAYQRXZTHPSEK-UHFFFAOYSA-N

• 2-Bromo-4-Ethyl Pyridine

IUPAC Name: 2-bromo-4-ethylpyridine | CAS Registry Number: 54453-91-7
Synonyms: 2-Bromo-4-ethylpyridine, 2-Bromo-4-ethylpyrdine, AG-F-88995, 4-Ethyl-2-bromopyridine, AC1N3L8P, Pyridine,2-bromo-4-ethyl-, CTK5A1081, MolPort-003-845-361, ZINC06711616, AKOS006280220, AC-5289, MCULE-1243238936, AK126079, KB-168974, FT-0640253, ST51052559, Y5042, 2-Bromo-4-ethylpyridine;4-Ethyl-2-bromopyridine, I03-0141

Molecular Formula:	C₇H₈BrN	Molecular Weight:	186.049120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JMDIWBIWPAAWHP-UHFFFAOYSA-N

• 1-(4-amino-2-methoxy-phenyl)-ethanone

IUPAC Name: 1-(4-amino-2-methoxyphenyl)ethanone | CAS Registry Number: 60207-18-3
Synonyms: 1-(4-Amino-2-methoxyphenyl)ethanone, 1-(4-AMINO-2-METHOXY-PHENYL)-ETHANONE, SureCN8280033, CTK5B1123, MolPort-021-877-766, ANW-71423, AKOS016007357, 1-(4-amino-2-methoxyphenyl)-ethanone, AG-G-15331, AK-86813, KB-214176

Molecular Formula:	C₉H₁₁NO₂	Molecular Weight:	165.189140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: WSESDZHLGIIHPS-UHFFFAOYSA-N

• 17alpha-propionate

IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate | CAS Registry Number: 19608-29-8
Synonyms: 17 alpha-propionate, 17 |A-propionate, 17 alpha-propionate, S1585_Selleck, SureCN1231152, BCP9000062, CS-1151, CB-03-01, HY-13331, 17 alpha-propionate-Supplied by Selleck Chemicals, 17 alpha-propionate|19608-29-8|CB-03-01

Molecular Formula:	C₂₄H₃₄O₅	Molecular Weight:	402.523760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: GPNHMOZDMYNCPO-PDUMRIMRSA-N

• 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, phenylmethyl ester

IUPAC Name: benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate | CAS Registry Number: 286961-15-7
Synonyms: benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate, AG-E-92436, 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid benzyl ester, N-Cbz-3,6-Dihydro-2H-pyridine-4-boronic acid pinacol ester, BENZYL 5,6-DIHYDRO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE-1(2H)-CARBOXYLATE, SureCN1103983, AGN-PC-00647W, CTK4G1933, MolPort-015-143-371, ANW-49091, AKOS015904477, QC-4760, AK-38088, Benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate, BR-38088, KB-47775, AM20040093, FT-0690030, A22634, I14-16930

Molecular Formula:	C₁₉H₂₆BNO₄	Molecular Weight:	343.225040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: QDSFHRPYZPQWEJ-UHFFFAOYSA-N

• 5-(bromomethyl)-2-(trifluoromethyl)pyridine

IUPAC Name: 5-(bromomethyl)-2-(trifluoromethyl)pyridine

Molecular Formula:	C₇H₅BrF₃N	Molecular Weight:	240.020510 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IRQUWHXXVJARBK-UHFFFAOYSA-N

• 6-Nitro-3-carboxaldehyde

IUPAC Name: 6-nitro-2H-indazole-3-carbaldehyde | CAS Registry Number: 315203-37-3
Synonyms: 6-Nitro-1H-indazole-3-carbaldehyde, 6-Nitro indazole-3-carboxaldehyde, 6-Nitro-1H-indazole-3-carboxaldehyde, 1H-INDAZOLE-3-CARBOXALDEHYDE, 6-NITRO-, 6-nitroindazole-3-carbaldehyde, CTK4G7270, MolPort-005-934-835, 6-nitro-2H-indazole-3-carbaldehyde, ANW-60808, ZINC14984575, 6-nitro-2H-indazole-3-carboxaldehyde, AKOS006229935, AB13232, AC-5305, AG-F-05126, AM81171, 1H-Indazole-3-carboxaldehyde,6-nitro-, AK-79438, KB-45843, FT-0644410

Molecular Formula:	C₈H₅N₃O₃	Molecular Weight:	191.143600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: UYPSMSUYMARCRX-UHFFFAOYSA-N