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• BENZONITRILE,4-HYDROXY-2,3-DIMETHYL-

IUPAC Name: 4-hydroxy-2,3-dimethylbenzonitrile | CAS Registry Number: 448961-58-8
Synonyms: 4-Hydroxy-2,3-dimethylbenzonitrile, AGN-PC-025QLD, SureCN7056620, CTK8I7709, RW2691, AK141932

Molecular Formula:	C₉H₉NO	Molecular Weight:	147.173860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: LUOBVTFFWKJVTN-UHFFFAOYSA-N

• Benzoylacetonitrile

IUPAC Name: 3-oxo-3-phenylpropanenitrile | CAS Registry Number: 614-16-4
Synonyms: Phenacyl cyanide, Cyanoacetophenone, 2-Cyanoacetophenone, Acetonitrile, benzoyl-, 2-Cyanoacetyl phenone, Cyanomethyl phenyl ketone, Acetophenone, 2-cyano-, 3-Oxo-3-phenylpropanenitrile, alpha-Cyanoacetophenone, omega-Cyanoacetophenone, beta-Oxohydrocinnamonitrile, 3-Phenyl-3-ketopropionitrile, Enamine_005459, .alpha.-Cyanoacetophenone, .omega.-Cyanoacetophenone, beta-oxobenzenepropanenitrile, Benzenepropanenitrile, .beta.-oxo-, Hydrocinnamonitrile, beta-oxo-, 272728_ALDRICH, Acetonitrile, benzoyl- (8CI)

Molecular Formula:	C₉H₇NO	Molecular Weight:	145.157980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZJRCIQAMTAINCB-UHFFFAOYSA-N

• Cyclobutylhydrazine

IUPAC Name: cyclobutylhydrazine | CAS Registry Number: 742673-64-9
Synonyms: CYCLOBUTYLHYDRAZINE, AG-G-95135, CYCLOBUTYL-HYDRAZINE, SureCN271691, CTK5D9641, Phosphine,[(4-nitrophenyl)methyl]-, RW2684, AKOS005264444, KB-49174, BB 0260692, S14-0096

Molecular Formula:	C₄H₁₀N₂	Molecular Weight:	86.135600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: HQFQTTNMBUPQAY-UHFFFAOYSA-N

• Cyclopropane Methyl Amine

IUPAC Name: cyclopropylmethanamine | CAS Registry Number: 2516-47-4
Synonyms: Cyclopropanemethylamine, (Aminomethyl)cyclopropane, Cyclopropanemethanamine, 1-cyclopropylmethanamine, 359521_ALDRICH, 08460_FLUKA, ALBB-005351, EINECS 219-737-6, STK328116, InChI=1/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H

Molecular Formula:	C₄H₉N	Molecular Weight:	71.120960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: IGSKHXTUVXSOMB-UHFFFAOYSA-N

• Ethyl 1-Methyl-1H-Imidazole-2-Carboxylate

IUPAC Name: ethyl 1-methylimidazole-2-carboxylate | CAS Registry Number: 30148-21-1
Synonyms: Ethyl 1-Methylimidazole-2-carboxylate, ethyl 1-methyl-1h-imidazole-2-carboxylate, ETHYL1-METHYLIMIDAZOLE-2-CARBOXYLATE, SBB013235, AG-E-98817, ZERO/005211, PubChem22681, AC1N6LG3, SureCN1822302, CTK4G4558, MolPort-001-768-759, ACN-P000764, ACN-S004115, ACT07790, ANW-50540, RW2657, STK735183, ZINC03880843, AKOS003396279, AC-7073

Molecular Formula:	C₇H₁₀N₂O₂	Molecular Weight:	154.166500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NOTZYDYZBOBDFE-UHFFFAOYSA-N

• Ethyl 4-Oxocyclohexaneacetate

IUPAC Name: ethyl 2-(4-oxocyclohexyl)acetate | CAS Registry Number: 58012-34-3
Synonyms: Ethyl 2-(4-oxocyclohexyl)acetate, SureCN2257497, ethyl 4-oxocyclohexaneacetate, RW2721, AKOS006307852, AK114276, KB-51305, M112047

Molecular Formula:	C₁₀H₁₆O₃	Molecular Weight:	184.232240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XHNJFNLTFMAPQB-UHFFFAOYSA-N

• methyl 3-(2-fluoro-4-methoxyphenyl)propanoate

IUPAC Name: methyl 3-(2-fluoro-4-methoxyphenyl)propanoate | CAS Registry Number: 874187-38-9
Synonyms: SureCN1924061, RW2701, AK141938, Methyl 3-(2-fluoro-4-methoxyphenyl)propanoate

Molecular Formula:	C₁₁H₁₃FO₃	Molecular Weight:	212.217523 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: HKQQUWYOQCIJQD-UHFFFAOYSA-N

• methyl 3-(piperidin-4-yl)propanoate hydrochloride

IUPAC Name: methyl 3-piperidin-4-ylpropanoate;hydrochloride | CAS Registry Number: 167414-87-1
Synonyms: Methyl 3-(piperidin-4-yl)propanoate hydrochloride, METHYL3-(4-PIPERIDINYL)PROPANOATE HYDROCHLORIDE, SureCN382045, CTK0A8690, RW2631, AK141917, 4-Piperidinepropanoic acid, methyl ester, hydrochloride

Molecular Formula:	C₉H₁₈ClNO₂	Molecular Weight:	207.697720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: AZXUUZJIMVNVCN-UHFFFAOYSA-N

• METHYL 6-CHLOROPYRIMIDINE-4-CARBOXYLATE

IUPAC Name: methyl 6-chloropyrimidine-4-carboxylate | CAS Registry Number: 6627-22-1
Synonyms: NSC58346, CID245927

Molecular Formula:	C₆H₅ClN₂O₂	Molecular Weight:	172.569100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IAEUEOUJKNGPMO-UHFFFAOYSA-N

• N,N-dimethyl-4-(3-piperidinylmethyl)-2-Pyrimidinamine

IUPAC Name: N,N-dimethyl-4-(piperidin-3-ylmethyl)pyrimidin-2-amine | CAS Registry Number: 1359705-77-3
Synonyms: RW2649, AK141922, N,N-Dimethyl-4-(piperidin-3-ylmethyl)pyrimidin-2-amine

Molecular Formula:	C₁₂H₂₀N₄	Molecular Weight:	220.314000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: OQDTXZAMLUTVLL-UHFFFAOYSA-N

• N-Ethyl-Benzenemethanamine

IUPAC Name: N-benzylethanamine | CAS Registry Number: 14321-27-8
Synonyms: N-Ethylbenzylamine, Benzylamine der, N-benzylethanamine, N-Benzylethylamine, Benzenemethanamine, N-ethyl-, Benzylamine, N-ethyl-, N-Benzyl-N-ethylamine, N-(phenylmethyl)ethanamine, BENZYL-ETHYL-AMINE, 126993_ALDRICH, EINECS 238-265-1, NSC7413, AIDS011070, AIDS-011070, CID84352, BBR-007304, 5417-36-7 (HYDROCHLORIDE), LS-184962, I01-1150, InChI=1/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H

Molecular Formula:	C₉H₁₃N	Molecular Weight:	135.206220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: HVAAHUDGWQAAOJ-UHFFFAOYSA-N

• N-EthylGlycine

IUPAC Name: 2-(ethylazaniumyl)acetate | CAS Registry Number: 627-01-0
Synonyms: N-Ethylglycine, ZINC01532340, CPD-10490, CID6992079

Molecular Formula:	C₄H₉NO₂	Molecular Weight:	103.119760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YPIGGYHFMKJNKV-UHFFFAOYSA-N

• Tetrahydro-3-(4-Piperidinyl)-2H-1,3-Oxazin-2-One

IUPAC Name: 3-piperidin-4-yl-1,3-oxazinan-2-one | CAS Registry Number: 164518-99-4
Synonyms: 3-(Piperidin-4-yl)-1,3-oxazinan-2-one, SureCN2855915, CTK8C1038, MolPort-012-800-846, ANW-65767, RW2624, AKOS010604995, QC-7748, AK-88996, KB-69971

Molecular Formula:	C₉H₁₆N₂O₂	Molecular Weight:	184.235540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UAMPFCXIVPCTCN-UHFFFAOYSA-N

• 4-[2-(2-Methyl-1H-Imidazol-1-Yl)ethyl]Piperidine

IUPAC Name: 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine | CAS Registry Number: 130516-99-3
Synonyms: 4-[2-(2-Methyl-imidazol-1-yl)-ethyl]-piperidine, AG-D-61981, ST073984, 4-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)piperidine, 2-methyl-1-(2-(4-piperidyl)ethyl)imidazole, 4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine, BAS 12820963, AC1O5IFH, AC1Q2P4F, SureCN2237220, CTK4B6780, MolPort-002-023-886, HMS1699I08, ANW-58913, RW2625, SBB010901, AKOS000302210, AK-57396, KB-71934, 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine

Molecular Formula:	C₁₁H₁₉N₃	Molecular Weight:	193.288660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FPCPADMQGUJDCY-UHFFFAOYSA-N

• (2R)-2-MethylButanamide

IUPAC Name: (2R)-2-methylbutanamide | CAS Registry Number: 389122-94-5
Synonyms: (R)-2-Methylbutanamide, 2-methyl-(2R)-butanamide, CTK8C1039, ANW-65769, RW2673, QC-8946, AK-88994, KB-68954

Molecular Formula:	C₅H₁₁NO	Molecular Weight:	101.146940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: XUXJHBAJZQREDB-SCSAIBSYSA-N

• 7-bromo-3,4-dihydro-2(1H)-Quinoxalinone

IUPAC Name: 7-bromo-3,4-dihydro-1H-quinoxalin-2-one | CAS Registry Number: 1016878-52-6
Synonyms: MolPort-004-348-910, RW2680, ZINC19511980, AKOS000192740, AK141930, 7-bromo-3,4-dihydro-2(1h)-quinoxalinone, 7-Bromo-3,4-dihydroquinoxalin-2(1H)-one, KB-204810, 7-bromo-1,2,3,4-tetrahydroquinoxalin-2-one, EN300-72989

Molecular Formula:	C₈H₇BrN₂O	Molecular Weight:	227.057980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: ZITQQDFTRWZLSH-UHFFFAOYSA-N

• 4-Piperidinepropanamide hydrochloride

IUPAC Name: 3-piperidin-4-ylpropanamide;hydrochloride | CAS Registry Number: 1185126-95-7
Synonyms: RW2632, AK141918, 3-(Piperidin-4-yl)propanamide hydrochloride

Molecular Formula:	C₈H₁₇ClN₂O	Molecular Weight:	192.686380 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: QTDBLNIEHRZWQT-UHFFFAOYSA-N

• 6-Hydroxy-4-Pyrimidinecarboxylic Acid

IUPAC Name: 4-oxo-1H-pyrimidine-6-carboxylic acid | CAS Registry Number: 6299-87-2
Synonyms: Pyrimidin-6-ol-4-carboxylic acid, NSC45047, CID239692, 6-Hydroxy-4-pyrimidinecarboxylic acid

Molecular Formula:	C₅H₄N₂O₃	Molecular Weight:	140.096860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: QYGHXDAYBIFGKI-UHFFFAOYSA-N

• 4-Amino-3,4-Dihydro-2(1H)-Quinolinone

IUPAC Name: 4-amino-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 858783-30-9
Synonyms: 4-amino-3,4-dihydro-2(1H)-quinolinone, 4-Amino-3,4-dihydroquinolin-2(1H)-one, Ambcb4013764, SureCN12050556, CTK5F5879, MolPort-016-631-005, ANW-65760, RW2681, AKOS006282123, AG-I-03319, AK-89003, KB-72017

Molecular Formula:	C₉H₁₀N₂O	Molecular Weight:	162.188500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DLABPBKCFXRHPA-UHFFFAOYSA-N

• 4-Chloro-5-Methyl-2-(methylsulfonyl)Pyrimidine

IUPAC Name: 4-chloro-5-methyl-2-methylsulfonylpyrimidine | CAS Registry Number: 325780-94-7
Synonyms: 4-Chloro-5-methyl-2-(methylsulfonyl)pyrimidine, 4-chloro-5-methyl-2-(methylsulfonyl)-Pyrimidine, AGN-PC-005SZH, CTK8B5000, MolPort-019-878-604, ANW-46981, RW2635, AKOS015998714, HP23668, AK-80580, KB-72322, W5435, Pyrimidine, 4-chloro-5-methyl-2-(methylsulfonyl)-

Molecular Formula:	C₆H₇ClN₂O₂S	Molecular Weight:	206.649980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: WIBJFLAPPUYODA-UHFFFAOYSA-N

• 2-Methyl-1H-Benzimidazol-6-Amine

IUPAC Name: 2-methyl-3H-benzimidazol-5-amine | CAS Registry Number: 29043-48-9
Synonyms: 2-Methyl-1H-benzimidazol-5-amine, Oprea1_595207, ZERO/005255, MolPort-000-160-333, MolPort-001-792-674, NSC240761, ALBB-005602, CID315500, STK394271, ZINC00368808, 1H-Benzimidazol-5-amine, 2-methyl-, 2-Methyl-3H-benzoimidazol-5-ylamine, GL-0784, BAS 03420893, 23291-87-4

Molecular Formula:	C₈H₉N₃	Molecular Weight:	147.177160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: UJYKXBDYOPPOCY-UHFFFAOYSA-N

• 4-(2-Chlorophenyl)-2-Thiazolecarboxaldehyde

IUPAC Name: 4-(2-chlorophenyl)-1,3-thiazole-2-carbaldehyde | CAS Registry Number: 383142-61-8
Synonyms: 4-(2-chlorophenyl)-1,3-thiazole-2-carbaldehyde, 4-(2-Chlorophenyl)thiazole-2-carbaldehyde, AC1MQ4YX, CTK8C1036, MolPort-000-861-603, ANW-65765, RW2664, AKOS001476128, AK-88998, KB-71453, 4-(2-chlorophenyl)-2-thiazolecarbaldehyde, 4-(2-chlorophenyl)-2-thiazolecarboxaldehyde, BB 0249318, 4-(2-Chloro-phenyl)-thiazole-2-carbaldehyde

Molecular Formula:	C₁₀H₆ClNOS	Molecular Weight:	223.678740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: DRPRJACJPMGESZ-UHFFFAOYSA-N

• 4-[4-(methylsulfonyl)phenyl]-2-Thiazolamine

IUPAC Name: 4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine | CAS Registry Number: 383131-95-1
Synonyms: 4-[4-(methylsulfonyl)phenyl]-1,3-thiazol-2-amine, 2-amino-4-[4-(methylsulphonyl)phenyl]-1,3-thiazole, 4-(4-(Methylsulfonyl)phenyl)thiazol-2-amine, 4-(4-Methanesulfonyl-phenyl)-thiazol-2-ylamine, 4-(4-methanesulfonylphenyl)-1,3-thiazol-2-amine, 4-[4-(Methylsulfonyl)phenyl]thiazol-2-amine, ZINC00168205, AC1MC0MF, AC1Q4GI4, Oprea1_010596, methylsulfonylphenylthiazolylamine, CTK7E1757, MolPort-000-156-733, ANW-66148, RW2662, SBB101437, AKOS000123731, AG-A-36048, AG-F-35033, MCULE-5135935836

Molecular Formula:	C₁₀H₁₀N₂O₂S₂	Molecular Weight:	254.328600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: VQEMDSRIOVZAOM-UHFFFAOYSA-N

• 2,2-DiethoxyAcetamide

IUPAC Name: 2,2-diethoxyacetamide | CAS Registry Number: 61189-99-9
Synonyms: 2,2-Diethoxyacetamide, Glyoxylic amide diethyl acetal, 370452_ALDRICH, NSC363000, EINECS 262-647-7, CID100765, ZINC00388476, LT03332310

Molecular Formula:	C₆H₁₃NO₃	Molecular Weight:	147.172320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DSKGWFQMJHBHRT-UHFFFAOYSA-N

• 3-(1-methyl-1H-imidazol-2-yl)-3-oxopropanenitrile

IUPAC Name: 3-(1-methylimidazol-2-yl)-3-oxopropanenitrile | CAS Registry Number: 118431-92-8
Synonyms: 3-(1-Methyl-1H-imidazol-2-yl)-3-oxopropanenitrile, AGN-PC-00O9EI, SureCN10445299, RW2658, MCULE-1436024056, QC-8953, AK141924, 3-(1-methylimidazol-2-yl)-3-oxopropanenitrile

Molecular Formula:	C₇H₇N₃O	Molecular Weight:	149.149980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: AFFSAWQIHUVQLU-UHFFFAOYSA-N

• 4-EthylBenzenepropanoic Acid

IUPAC Name: 3-(4-ethylphenyl)propanoate | CAS Registry Number: 64740-36-9
Synonyms: ZINC02580667, CID2064038

Molecular Formula:	C₁₁H₁₃O₂-	Molecular Weight:	177.219720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MUQCDEGKKWQCAO-UHFFFAOYSA-M

• (E)-methyl 3-(2-fluoro-4-methoxyphenyl)acrylate

IUPAC Name: methyl (E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoate | CAS Registry Number: 1042685-74-4
Synonyms: RW2703, AK141939, (E)-Methyl 3-(2-fluoro-4-methoxyphenyl)acrylate

Molecular Formula:	C₁₁H₁₁FO₃	Molecular Weight:	210.201643 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: YUIHJWVNGQTMNF-GQCTYLIASA-N

• 4-methoxy-2,3-dimethyl-Benzonitrile

IUPAC Name: 4-methoxy-2,3-dimethylbenzonitrile | CAS Registry Number: 448961-57-7
Synonyms: 4-Methoxy-2,3-dimethylbenzonitrile, SureCN3000243, RW2690, QC-8929, AK141931

Molecular Formula:	C₁₀H₁₁NO	Molecular Weight:	161.200440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XHSPYUUKGMWFGD-UHFFFAOYSA-N

• 7-bromo-1,2,3,4-tetrahydro-5H-1,4-Benzodiazepin-5-one

IUPAC Name: 7-bromo-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one | CAS Registry Number: 455885-78-6
Synonyms: RW2675, AK141926, 7-Bromo-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one

Molecular Formula:	C₉H₉BrN₂O	Molecular Weight:	241.084560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RCJMLFAPJRPGIA-UHFFFAOYSA-N

• 1-(6-METHYLPYRIDIN-3-YL)ETHANAMINE 95%

IUPAC Name: 1-(6-methylpyridin-3-yl)ethanamine | CAS Registry Number: 92295-43-7
Synonyms: 1-(6-methylpyridin-3-yl)ethanamine, 1-(6-methyl-3-pyridinyl)ethanamine, 1-(6-METHYL-PYRIDIN-3-YL)-ETHYLAMINE, SureCN594622, Ambcb4014888, CTK5H1110, MolPort-008-421-278, RW2714, 1-(6-methylpyridin-3-yl)-ethylamine, AKOS012457499, AB53828, AG-H-78519, QC-8900, AK-70917, 1-(6-METHYL-3-PYRIDYL)ETHYLAMINE, A,6-DIMETHYL-3-PYRIDINEMETHANAMINE, KB-215565, 1-(6-METHYLPYRIDIN-3-YL)ETHAN-1-AMINE, 3-PYRIDINEMETHANAMINE, ALPHA,6-DIMETHYL-, A844189

Molecular Formula:	C₈H₁₂N₂	Molecular Weight:	136.194280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GLTIIUKSLNSXKM-UHFFFAOYSA-N

• 2-methyl-5, 6, 7, 8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

IUPAC Name: 2-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-4-one | CAS Registry Number: 62259-95-4
Synonyms: 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one, RW2644, QC-8947, AK136796, KB-25422

Molecular Formula:	C₈H₁₁N₃O	Molecular Weight:	165.192440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YYZKKLJMPSCJHD-UHFFFAOYSA-N

• 3-bromo-2-chloro-4-methoxypyridine

IUPAC Name: 3-bromo-2-chloro-4-methoxypyridine | CAS Registry Number: 144584-29-2
Synonyms: 3-BROMO-2-CHLORO-4-METHOXYPYRIDINE, 3-bromo-2-chloro-4-methoxy-pyridine, RW2707, QC-8972, AK141941, KB-199299, FT-0686556

Molecular Formula:	C₆H₅BrClNO	Molecular Weight:	222.467000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: WNCWAYKQILUYEO-UHFFFAOYSA-N

• 2-ethoxy-5-(4-pyrimidinyl)Benzoic acid

IUPAC Name: 2-ethoxy-5-pyrimidin-4-ylbenzoic acid | CAS Registry Number: 1359704-34-9
Synonyms: 2-ETHOXY-5-(PYRIMIDIN-4-YL)BENZOIC ACID, RW2648, QC-8940, AK141921

Molecular Formula:	C₁₃H₁₂N₂O₃	Molecular Weight:	244.245980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: QLWXLZNVQSSEIQ-UHFFFAOYSA-N

• 4-hydroxy-2,3-dimethyl-Benzoic acid

IUPAC Name: 4-hydroxy-2,3-dimethylbenzoic acid | CAS Registry Number: 6021-31-4
Synonyms: 4-Hydroxy-2,3-dimethylbenzoic acid, SureCN317575, RW2693, AK141934, KB-204767

Molecular Formula:	C₉H₁₀O₃	Molecular Weight:	166.173900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NGBXMLOGRLGZII-UHFFFAOYSA-N

• 4-(aminoethyl)piperidine

IUPAC Name: 2-piperidin-4-ylethanamine | CAS Registry Number: 76025-62-2
Synonyms: 2-(Piperidin-4-yl)ethanamine, 2-(piperidin-4-yl)ethan-1-amine, 4-Piperidineethanamine, AC1LTQGH, SureCN331464, 2-piperidin-4-ylethanamine, AC1Q54DD, 4-AMINOETHYLPIPERIDINE, MolPort-002-344-059, 4-(2-AMINOETHYL)PIPERIDINE, ANW-75211, RW2629, AKOS010394508, AG-C-31282, MCULE-9932609620, AK-82213, AM101244, KB-40324, KB-142484, FT-0689825

Molecular Formula:	C₇H₁₆N₂	Molecular Weight:	128.215340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: PXJBCMWIAPDWAU-UHFFFAOYSA-N

• 6-Chloro-Pyrido[3,2-D]pyrimidin-4(3H)-One

IUPAC Name: 6-chloro-1H-pyrido[3,2-d]pyrimidin-4-one | CAS Registry Number: 171178-33-9
Synonyms: 6-Chloropyrido[3,2-d]pyrimidin-4(3H)-one, AG-E-20511, 6-Chloro-pyrido[3,2-d]pyrimidin-4(3H)-one, PYRIDO[3,2-D]PYRIMIDIN-4(3H)-ONE, 6-CHLORO-, ACMC-209e2l, CTK4D3838, YAALXPGJSHTRFX-UHFFFAOYSA-, ANW-22507, RW2633, SC2491, AKOS006346566, RP08959, AK-43516, AM803324, BR-43516, KB-73935, FT-0660696, W3732, InChI=1/C7H4ClN3O/c8-5-2-1-4-6(11-5)7(12)10-3-9-4/h1-3H,(H,9,10,12)

Molecular Formula:	C₇H₄ClN₃O	Molecular Weight:	181.579160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YAALXPGJSHTRFX-UHFFFAOYSA-N

• 3-(4-Piperidinyl)-2-Oxazolidinone

IUPAC Name: 3-piperidin-4-yl-1,3-oxazolidin-2-one | CAS Registry Number: 164518-96-1
Synonyms: 3-(PIPERIDIN-4-YL)OXAZOLIDIN-2-ONE, 3-(4-piperidinyl)-2-Oxazolidinone, AGN-PC-00KORI, SureCN1662903, CTK4D1835, MolPort-012-800-357, ANW-65768, RW2623, AKOS010604324, 2-Oxazolidinone, 3-(4-piperidinyl)-, AG-I-03134, QC-7747, AK-88995, KB-69877

Molecular Formula:	C₈H₁₄N₂O₂	Molecular Weight:	170.208960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SQGSXVBOGZMGFV-UHFFFAOYSA-N

• 4-(2,4-Dimethylphenyl)-2-Thiazolecarboxaldehyde

IUPAC Name: 4-(2,4-dimethylphenyl)-1,3-thiazole-2-carbaldehyde | CAS Registry Number: 383143-90-6
Synonyms: 4-(2,4-dimethylphenyl)-1,3-thiazole-2-carbaldehyde, 4-(2,4-Dimethylphenyl)thiazole-2-carbaldehyde, AC1MT1FL, CTK8C1037, MolPort-000-149-612, ANW-65766, BBL021859, RW2666, STK894576, ZINC03676331, AKOS005144565, MCULE-5388370975, AK-88997, KB-71437, 4-(2,4-dimethylphenyl)-2-thiazolecarbaldehyde, 4-(2,4-dimethylphenyl)-2-thiazolecarboxaldehyde

Molecular Formula:	C₁₂H₁₁NOS	Molecular Weight:	217.286840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: JRCMCNLZDWPZTJ-UHFFFAOYSA-N

• 4-(4-Methylphenyl)-2-Thiazolecarboxaldehyde

IUPAC Name: 4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde | CAS Registry Number: 383143-86-0
Synonyms: 4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde, 4-(p-Tolyl)thiazole-2-carbaldehyde, AC1MU7N8, CTK8C1033, MolPort-000-149-504, 4-p-Tolyl-thiazole-2-carbaldehyde, ANW-65762, BBL021792, RW2667, STK894509, ZINC03676329, AKOS005144606, MCULE-6122177509, 4-(4-methylphenyl)-2thiazolecarbaldehyde, AK-89001, KB-71580, 4-(4-methylphenyl)-2thiazolecarboxaldehyde, BB 0249284

Molecular Formula:	C₁₁H₉NOS	Molecular Weight:	203.260260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NIYYLXDRLQFYMS-UHFFFAOYSA-N

• 5-PYRIMIDINECARBOXYLIC ACID 1,4-DIHYDRO-2-METHYL-4-OXO-

IUPAC Name: 2-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid | CAS Registry Number: 18529-69-6
Synonyms: Ambnee4030825, MolPort-003-970-034, MolPort-004-804-112, MolPort-005-984-505, NSC165386, CID295779, BAS 21999871

Molecular Formula:	C₆H₆N₂O₃	Molecular Weight:	154.123440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: CYCCXSJJYXCULN-UHFFFAOYSA-N

• 2-Furancarboxylic acid,5-(1,1-dimethylethyl)-, methyl ester

IUPAC Name: methyl 5-tert-butylfuran-2-carboxylate | CAS Registry Number: 59907-23-2
Synonyms: methyl 5-tert-butylfuran-2-carboxylate, methyl 5-(tert-butyl)furan-2-carboxylate, NSC69079, AC1L5GXF, AC1Q5ZEZ, SureCN3229079, NCIOpen2_000609, CTK5B0680, MolPort-019-857-843, AR-1J5593, NSC-69079, RW2724, AKOS015998412, AG-J-05701, MCULE-3207377608, AK141946, ST099122, 2-Furoicacid, 5-tert-butyl-, methyl ester (7CI); Methyl5-tert-butylfuran-2-carboxylate; NSC 69079

Molecular Formula:	C₁₀H₁₄O₃	Molecular Weight:	182.216360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UBRPDRSWIRZWQG-UHFFFAOYSA-N

• 3-(4-fluorophenyl)-8-Azabicyclo[3.2.1]octane

IUPAC Name: 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane | CAS Registry Number: 291289-52-6
Synonyms: 3-(4-Fluorophenyl)-8-azabicyclo[3.2.1]octane, SureCN1206040, RW2700, QC-8956, AK141937

Molecular Formula:	C₁₃H₁₆FN	Molecular Weight:	205.271243 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XNXGLTJWOZMRNZ-UHFFFAOYSA-N

• 2-Hydroxy-6-methylnicotinic acid

IUPAC Name: 6-methyl-2-oxo-1H-pyridine-3-carboxylic acid | CAS Registry Number: 38116-61-9
Synonyms: Maybridge3_006033, Oprea1_731245, H43008_ALDRICH, 6-Methyl-3-carboxy-2-pyridone, 2-Hydroxy-6-methylpyridine-3-carboxylic acid, NSC10728, EINECS 253-784-3, SBB004049, IDI1_017420, SB 01990, 6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid, 3-Pyridinecarboxylic acid, 1,2-dihydro-6-methyl-2-oxo-, InChI=1/C7H7NO3/c1-4-2-3-5(7(10)11)6(9)8-4/h2-3H,1H3,(H,8,9)(H,10,11

Molecular Formula:	C₇H₇NO₃	Molecular Weight:	153.135380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: XRIHTJYXIHOBDQ-UHFFFAOYSA-N

• 7-methoxy-3,4-dihydro-2h-benzo[1,4]oxazine

IUPAC Name: 7-methoxy-3,4-dihydro-2H-1,4-benzoxazine | CAS Registry Number: 93735-22-9
Synonyms: 7-METHOXY-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE, 7-Methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazine, 7-METHOXY-3,4-DIHYDRO-2H-1,4-BENZOXAZINE, SureCN4233305, CTK5H2886, RW2719, AKOS006307394, AG-H-82925, MB09263, AK140716, KB-204811

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

InChIKey: SHPHWZPKRWHBKE-UHFFFAOYSA-N

• 6-Chloro-3-nitropyridine-2-carbonitrile

IUPAC Name: 6-chloro-3-nitropyridine-2-carbonitrile | CAS Registry Number: 93683-65-9
Synonyms: 6-Chloro-2-cyano-3-nitropyridine, 6-chloro-3-nitropicolinonitrile, 6-Chloro-3-nitro-2-pyridinecarbonitrile, 6-Chloro-2-cyano-3-nitropyidine, SBB054357, AG-H-82756, PubChem2248, PubChem19121, AGN-PC-00M7WR, CTK5H2796, MolPort-001-769-561, WT551, ANW-57916, CK1207, RW2705, ZINC14982436, AKOS006344485, LS20723, PB21909, RP24427

Molecular Formula:	C₆H₂ClN₃O₂	Molecular Weight:	183.551980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: XVIHGTRTKQZJAC-UHFFFAOYSA-N

• 4-Amino-6-chloro-2-methylpyrimidine

IUPAC Name: 6-chloro-2-methylpyrimidin-4-amine | CAS Registry Number: 1749-68-4
Synonyms: NSC145903, CID286754

Molecular Formula:	C₅H₆ClN₃	Molecular Weight:	143.574240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SSAYHQQUDKQNAC-UHFFFAOYSA-N

• (5-Amino-1h-Benzimidazol-2-Yl)methanol

IUPAC Name: (6-amino-1H-benzimidazol-2-yl)methanol | CAS Registry Number: 294656-36-3
Synonyms: (5-Amino-1H-benzoimidazol-2-yl)-methanol, (5-Aminobenzimidazol-2-yl)methanol, (5-amino-1H-benzimidazol-2-yl)methanol, (5-Amino-1H-benzo[d]imidazol-2-yl)methanol, 3411-71-0, AC1LHIMQ, SureCN520978, SureCN3947749, Oprea1_307912, Oprea1_491938, STOCK6S-44410, CTK4H1759, CTK8D3943, MolPort-000-000-990, HMS1686G17, ANW-62725, BBL012603, RW2655, STK394272, ZINC06493922

Molecular Formula:	C₈H₉N₃O	Molecular Weight:	163.176560 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: AVKZEQGMZMYWRR-UHFFFAOYSA-N

• 2-Chloro-6-methylnicotinic acid

IUPAC Name: 2-chloro-6-methylpyridine-3-carboxylic acid | CAS Registry Number: 30529-70-5
Synonyms: 357847_ALDRICH, ALBB-005466, EINECS 250-229-7, SBB003843, 2-Chloro-6-methyl-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 2-chloro-6-methyl-, InChI=1/C7H6ClNO2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3H,1H3,(H,10,11

Molecular Formula:	C₇H₆ClNO₂	Molecular Weight:	171.581040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ACQXHCHKMFYDPM-UHFFFAOYSA-N

• 4-Piperidine acetic acid Hydrochloride

IUPAC Name: 2-piperidin-4-ylacetic acid | CAS Registry Number: 51052-78-9
Synonyms: piperidin-4-ylacetic acid, 2-(piperidin-4-yl)acetic acid, Piperidine-4-ylacetic acid, 4-piperidine acetic acid, 4-PiperidineaceticacidHCl, 73415-84-6, AN-584/43294048, piperidin-4-ylacetic acid hydrochloride, 4-piperidinylacetic acid, AC1LTQG2, Piperidine-4-acetic acid, SureCN44579, Piperidine-4-yl-acetic acid, 2-piperidin-4-ylacetic acid, AC1Q753J, MolPort-001-770-213, ALBB-008873, ANW-48784, RW2628, STK505633

Molecular Formula:	C₇H₁₃NO₂	Molecular Weight:	143.183620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: YFNOTMRKVGZZNF-UHFFFAOYSA-N

• 3-Amino-3-(3-pyridyl)propionic acid

IUPAC Name: 3-amino-3-pyridin-3-ylpropanoic acid | CAS Registry Number: 62247-21-6
Synonyms: 3-amino-3-(pyridin-3-yl)propanoic acid, (RS)-3-Amino-3-(3-Pyridyl)-Propionic Acid, 3-amino-3-pyridin-3-ylpropanoic acid, 3-Amino-3-(3'-pyridyl)propionic acid, 3-Amino-3-pyridin-3-yl-propionic acid, 3-Amino-3-(3-pyridyl)propionicacid, AG-G-28416, 3-amino-3-(3-pyridinyl)propanoic acid, DL-3-Amino-3-(3'-pyridyl)-propionic acid, 3-azanyl-3-pyridin-3-yl-propanoic acid, 3-Pyridinepropanoicacid, b-amino-, (bS)-, ACMC-20dpuq, PubChem13900, ACMC-1C5QQ, SureCN157097, AC1MTR69, Oprea1_753917, KSC497A1R, RARECHEM AK HC S246, STOCK1N-13575

Molecular Formula:	C₈H₁₀N₂O₂	Molecular Weight:	166.177200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: QOTCEJINJFHMLO-UHFFFAOYSA-N