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• 7-BENZYL-5,6,7,8-TETRAHYDRO4-CHLORO-PYRIDO[3,4-D]PYRIMIDINE HYDROCHLORIDE

IUPAC Name: 7-benzyl-4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine | CAS Registry Number: 192869-80-0
Synonyms: 7-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine, AG-E-40923, 7-Benzyl-4-chloro-5,6,7,8-tetrahydro-quinazoline, CTK4E1111, MolPort-005-936-525, ANW-48553, ZINC21987933, AKOS015839174, AK-27556, AM807728, BR-27556, KB-46084, A4249, FT-0645491, W4127, 7-benzyl-4-chloro-5,6,7,8-tetrahydroquinazoline, I14-15424, 7-Benzyl-4-chloro-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidine, 7-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;, 7-BENZYL-4-CHLORO-5,6,7,8-TETRA-HYDRO-PYRIDO[3,4-D]PYRIMIDINE

Molecular Formula:	C₁₄H₁₄ClN₃	Molecular Weight:	259.734060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZUDXEFPMOWJJQK-UHFFFAOYSA-N

• 5-(3-Chloro-phenyl)-[1,3,4]thiadiazole-2-thiol

IUPAC Name: 5-(3-chlorophenyl)-3H-1,3,4-thiadiazole-2-thione | CAS Registry Number: 85103-29-3
Synonyms: SureCN8042130, AGN-PC-003638, KB-243467, 5-(3-chlorophenyl)-1,3,4-thiadiazole-2-thiol, 5-(3-chlorophenyl)-3H-1,3,4-thiadiazole-2-thione

Molecular Formula:	C₈H₅ClN₂S₂	Molecular Weight:	228.721700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SWGXUOSCGPQWJY-UHFFFAOYSA-N

• 1H-Pyrrole-1-acetonitrile

IUPAC Name: 2-pyrrol-1-ylacetonitrile | CAS Registry Number: 86241-05-6
Synonyms: SCHEMBL2330269, 2-(1H-pyrrol-1-yl)acetonitrile, AKOS013123229, SC-21406

Molecular Formula:	C₆H₆N₂	Molecular Weight:	106.125240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: POCVKESNHZPAJL-UHFFFAOYSA-N

• 1-CHLORO-[2,6]NAPHTHYRIDINE

IUPAC Name: 1-chloro-2,6-naphthyridine | CAS Registry Number: 80935-78-0
Synonyms: 1-CHLORO-2,6-NAPHTHYRIDINE, AGN-PC-00JXL8, 1-Chloro[2,6]naphthyridine, 1-Chloro-[2,6]naphthyridine, 2,6-Naphthyridine, 1-chloro-, MolPort-009-198-114, AKOS006276187, AB09607, RP22747, AK-25182

Molecular Formula:	C₈H₅ClN₂	Molecular Weight:	164.591700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: WNHXOMIPBUWDIJ-UHFFFAOYSA-N

• 5-Methoxyisatin

IUPAC Name: 5-methoxy-1H-indole-2,3-dione | CAS Registry Number: 39755-95-8
Synonyms: 5-Methoxy-1H-indole-2,3-dione, 5-Methoxy-indole-2,3-dione, Isatin-based compound, 31, MLS000561694, 5-Methoxy-2,3-indolinedione, 1H-Indole-2,3-dione, 5-methoxy-, INDOLE-2,3-DIONE, 5-METHOXY-, NSC 88052, ALBB-002983, NSC88052, BRN 0139520, ZINC02007434, BAS 03049598, EC-000.1696, LS-83032, SMR000177846, ST5101371, 1H-Indole-2,3-dione, 5-methoxy- (9CI), 5-21-13-00116 (Beilstein Handbook Reference)

Molecular Formula:	C₉H₇NO₃	Molecular Weight:	177.156780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DMHGXMPXHPOXBF-UHFFFAOYSA-N

• 2-Amino-5-ethyl-1,3,4-thiadiazole

IUPAC Name: 5-ethyl-1,3,4-thiadiazol-2-amine | CAS Registry Number: 14068-53-2
Synonyms: NCIOpen2_000899, 1,3,4-Thiadiazol-2-amine, 5-ethyl-, 196924_ALDRICH, EINECS 237-921-4, TOS-BB-1085, NSC 75711, NSC75711, BRN 0113614, ZINC01054228, 5-Ethyl-1,3,4-thiadiazol-2-amine, 1,3,4-THIADIAZOLE, 2-AMINO-5-ETHYL-, LS-150241, 4-27-00-08073 (Beilstein Handbook Reference), A0744/0034755

Molecular Formula:	C₄H₇N₃S	Molecular Weight:	129.183480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QXTRPGAMVIONMK-UHFFFAOYSA-N

• 4H-1,3-Benzodioxin, 6-bromo-2,2-dimethyl-

IUPAC Name: 6-bromo-2,2-dimethyl-4H-1,3-benzodioxine | CAS Registry Number: 52113-69-6
Synonyms: SCHEMBL828814, MolPort-028-770-894, UIALGZOSKLCMHF-UHFFFAOYSA-N, NE43059, 2,2-dimethyl-6-bromobenzo-1,3-dioxane, 6-bromo-2,2-dimethyl-4H-1,3-benzodioxin, KB-303960, 4h-1,3-benzodioxin,6-bromo-2,2-dimethyl-, 6-Bromo-2,2-dimethyl4H-benzo[1,3]dioxine, 6-Bromo-2,2-dimethyl-4H-benzo[1,3]dioxine, 6-Bromo-2,2-dimethyl-4H-benzo[d][1,3]dioxine, 6-bromo-2,2-dimethyl-2,4-dihydro-1,3-benzodioxine

Molecular Formula:	C₁₀H₁₁BrO₂	Molecular Weight:	243.097140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: UIALGZOSKLCMHF-UHFFFAOYSA-N

• 2H-1,4-BENZOXAZIN-3(4H)-ONE,6-AMINO-2,2-DIFLUORO-

IUPAC Name: 6-amino-2,2-difluoro-4H-1,4-benzoxazin-3-one | CAS Registry Number: 575473-95-9
Synonyms: 6-amino-2,2-difluoro-2H-benzo[b][1,4]oxazin-3(4H)-one, SCHEMBL656665, NHGWXJWYOGTDMO-UHFFFAOYSA-N, AKOS027336127, 6-amino-2,2-difluoro-4H-benzo[1,4]oxazin-3-one, 6-amino-2,2-difluoro-2H-1,4-benzoxazin-3(4H)-one

Molecular Formula:	C₈H₆F₂N₂O₂	Molecular Weight:	200.145 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: NHGWXJWYOGTDMO-UHFFFAOYSA-N

• 2,7-naphthyridin-1-ol

IUPAC Name: 2H-2,7-naphthyridin-1-one | CAS Registry Number: 67988-50-5
Synonyms: 2,7-naphthyridin-1(2h)-one, 2H-2,7-naphthyridin-1-one, 68214-27-7, AC1LGEWM, AC1Q6DRC, SureCN276690, SureCN1159186, SureCN1159890, CTK8D6395, AR-1D5255, AKOS006352109, QC-5042, RP09276, AK-38024, KB-67819, AM20061437, FT-0684660, C-8537, A835956, I14-17067

Molecular Formula:	C₈H₆N₂O	Molecular Weight:	146.146040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GCCFYOUSCICNCD-UHFFFAOYSA-N

• 7-Hydroxy-4-phenylcoumarin

IUPAC Name: 7-hydroxy-4-phenylchromen-2-one | CAS Registry Number: 2555-30-8
Synonyms: Oprea1_774373, MLS001143868, 576468_ALDRICH, Hydroxy-7, phenyl-4-coumarine, NSC78474, AIDS066734, AIDS-066734, ZINC00162733, 7-hydroxy-4-phenyl-2H-chromen-2-one, SMR000473307, ST5409397, EU-0005995, 2H-1-Benzopyran-2-one, 7-hydroxy-4-phenyl-

Molecular Formula:	C₁₅H₁₀O₃	Molecular Weight:	238.238100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IVJMJRRORVMRJJ-UHFFFAOYSA-N

• 1-(quinolin-2-Yl)ethanone

IUPAC Name: 1-quinolin-2-ylethanone | CAS Registry Number: 1011-47-8
Synonyms: 1-(2-Quinolinyl)ethanone, OWH-AUF2100, NSC256937, CID318703, ZINC01557670, EC-000.1585

Molecular Formula:	C₁₁H₉NO	Molecular Weight:	171.195260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: UCCQXCFFHYCLEC-UHFFFAOYSA-N

• 2,4(1H,3H)-Quinazolinedione, 5,6,7,8-tetrahydro-

IUPAC Name: 5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione | CAS Registry Number: 35042-48-9
Synonyms: 5,6,7,8-Tetrahydroquinazoline-2,4(1H,3H)-dione, 1,3,5,6,7,8-Hexahydroquinazoline-2,4-dione, 5,6,7,8-tetrahydro-2,4(1H,3H)-quinazolinedione, tetrahydroquinazolinedione, AC1LANY9, AC1Q6GGZ, AC1Q79BS, SureCN1621750, SureCN6457198, CTK4H3443, MolPort-003-968-713, AR-1G6065, ITH000221, SBB087992, ZINC03130142, AKOS006334752, AG-K-81754, EE-0745, MCULE-9151971389, RP10371

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

InChIKey: DRLMXVMLMGPVRC-UHFFFAOYSA-N

• (1H-Benzoimidazol-2-ylmethyl)-carbamic acid tert-butyl ester

IUPAC Name: tert-butyl N-(1H-benzimidazol-2-ylmethyl)carbamate | CAS Registry Number: 189560-83-6
Synonyms: tert-Butyl ((1H-benzo[d]imidazol-2-yl)methyl)carbamate, SCHEMBL6297783, WRAOGDJKTDDORV-UHFFFAOYSA-N, MFCD18007689, ZINC54347644, AKOS017480600, AK339813, tert-Butyl 1H-benzimidazol-2-ylmethylcarbamate, A1-01088, 2-(tert-Butyloxycarbonylaminomethyl)-1H-benzoimidazole, Ert-butyl ((1H-benzo[d]imidazol-2-yl)methyl)carbamate, tert-butyl N-(1H-1,3-benzodiazol-2-ylmethyl)carbamate

Molecular Formula:	C₁₃H₁₇N₃O₂	Molecular Weight:	247.298 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WRAOGDJKTDDORV-UHFFFAOYSA-N

• 5-Iodoisatin

IUPAC Name: 5-iodo-1H-indole-2,3-dione | CAS Registry Number: 20780-76-1
Synonyms: Isatin-based compound, 35, NCIOpen2_005933, 5-Iodo-1H-indole-2,3-dione, 140589_ALDRICH, AIDS163139, 1H-Indole-2,3-dione, 5-iodo-, AIDS-163139, NSC92515, EINECS 244-035-1, NSC 92515, ZINC03909323, EU-0060270, A2201/0092635

Molecular Formula:	C₈H₄INO₂	Molecular Weight:	273.027330 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OEUGDMOJQQLVAZ-UHFFFAOYSA-N

• 1,3,4-Thiadiazole-2(3H)-thione, 5-(3-nitrophenyl)- (CAS: 85103-36-2)

• 5-(4-Pyridyl)-1,3,4-Oxadiazole-2-Thiol

IUPAC Name: 5-pyridin-4-yl-3H-1,3,4-oxadiazole-2-thione | CAS Registry Number: 15264-63-8
Synonyms: 5-(4-Pyridyl)-1,3,4-oxadiazole-2-thiol, 5-(pyridin-4-yl)-1,3,4-oxadiazole-2-thiol, 5-(pyridin-4-yl)-1,3,4-oxadiazole-2(3H)-thione, 5-pyridin-4-yl-[1,3,4]oxadiazole-2-thiol, ZERO/005315, AC1LGNJA, ChemDiv2_000174, SureCN987340, AC1Q7F3J, Oprea1_290121, Oprea1_812023, 438561_ALDRICH, CHEMBL571513, STOCK2S-38829, CTK4C7526, CHEBI:676336, MolPort-000-158-450, MolPort-000-421-548, BB_SC-6075, HMS1369H20

Molecular Formula:	C₇H₅N₃OS	Molecular Weight:	179.199100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: TXCXZVFDWQYTIC-UHFFFAOYSA-N

• 2-Indolizinecarboxylic acid, methyl ester

IUPAC Name: methyl indolizine-2-carboxylate | CAS Registry Number: 16959-62-9
Synonyms: methyl indolizine-2-carboxylate, Methyl 2-indolizinecarboxylate, AC1LCHBX, SureCN4915811, CTK0A8312, MolPort-020-094-154, AM20120708, EN300-80632

Molecular Formula:	C₁₀H₉NO₂	Molecular Weight:	175.183960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: PZENCFVMMTWFIK-UHFFFAOYSA-N

• 2-Mercaptobenzoxazole

IUPAC Name: 3H-1,3-benzoxazole-2-thione | CAS Registry Number: 2382-96-9
Synonyms: Benzoxazolinethione, 2(3H)-Benzoxazolethione, 2-Benzoxazolinethione, 2-BENZOXAZOLETHIOL, 2-Benzoxazolethione, 2-Benzoxazolylthiol, Benzoxazole-2-thiol, Benzoxazole, 2-mercapto-, Benzooxazole-2-thiol, 2-Mercapto-1,3-benzoxazole, M3507_ALDRICH, 2-Benzoxazolinethione (7CI), MLS000696385, 1,3-Benzoxazole-2(3H)-thione, BENZOXAZOLINE,2-THIONE, NSC 2128, 1,3-benzoxazol-2-ylhydrosulfide, EINECS 219-191-9, NSC2128, NSC209084

Molecular Formula:	C₇H₅NOS	Molecular Weight:	151.185700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: FLFWJIBUZQARMD-UHFFFAOYSA-N

• 6-Bromo-4-Hydroxy-3-Quinolinecarboxylic Acid Ethyl Ester

IUPAC Name: ethyl 6-bromo-4-oxo-1H-quinoline-3-carboxylate | CAS Registry Number: 122794-99-4
Synonyms: CBMicro_035845, Oprea1_178211, Oprea1_383488, Oprea1_440191, STK151300, CID689824, STK037845, ZINC00059487, ZINC18254725, BIM-0035878.P001, UX00000028, ethyl 6-bromo-4-hydroxyquinoline-3-carboxylate, A0591/0027330, 6-Bromo-4-hydroxyquinoline-3-carboxylic acid ethyl ester, ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate

Molecular Formula:	C₁₂H₁₀BrNO₃	Molecular Weight:	296.116700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: IVZIOBTVAJBBAS-UHFFFAOYSA-N

• 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline

IUPAC Name: 2,4-dichloro-5,6,7,8-tetrahydroquinazoline | CAS Registry Number: 1127-85-1
Synonyms: 2,4-DICHLORO-5,6,7,8-TETRAHYDROQUINAZOLINE, MolPort-009-200-051, ANW-75362, AKOS015049720, QC-3862, RP26002, AK-38397, BR-38397, KB-17337, X9032

Molecular Formula:	C₈H₈Cl₂N₂	Molecular Weight:	203.068520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: KBAXPKVNVXMVKV-UHFFFAOYSA-N

• (3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-acetic acid methyl ester

IUPAC Name: methyl 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetate | CAS Registry Number: 866038-49-5
Synonyms: Methyl (3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)acetate, Bionet2_001534, AC1MX6EI, SureCN3087984, CTK6J2001, methyloxodihydrobenzoxazinylacetate, MolPort-000-005-165, HMS1368G15, SBB096121, ZINC06640110, AKOS005070640, AG-A-04055, MCULE-3808665911, RP12786, AK-69254, KB-254646, O57025, 4X-0904, methyl 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetate, methyl 2-(3-oxo-2,4-dihydro-1,4-benzoxazin-6-yl)acetate

Molecular Formula:	C₁₁H₁₁NO₄	Molecular Weight:	221.209340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: BSLHZQGTOQQCMK-UHFFFAOYSA-N

• 5-Methylisatin

IUPAC Name: 5-methyl-1H-indole-2,3-dione | CAS Registry Number: 608-05-9
Synonyms: Isatin, 5-methyl-, 5-Methyl-indole-2,3-dione, 5-Methyl-1H-indole-2,3-dione, 5-Methylindole-2,3-dione, Isatin-based compound, 30, 1H-Indole-2,3-dione, 5-methyl-, INDOLE-2,3-DIONE, 5-METHYL-, 5-Methylindole-2,3(1H)-dione, Isatin, 5-methyl- (6CI), M3002_SIGMA, 222429_ALDRICH, NSC 9398, EINECS 210-152-1, NSC9398, AIDS163136, AIDS-163136, BRN 0123738, ZINC01699967, LS-83034, 1H-Indole-2,3-dione, 5-methyl- (9CI)

Molecular Formula:	C₉H₇NO₂	Molecular Weight:	161.157380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: VAJCSPZKMVQIAP-UHFFFAOYSA-N

• 2,2-dimethylchroman-8-carboxylic acid

IUPAC Name: 2,2-dimethyl-3,4-dihydrochromene-8-carboxylic acid | CAS Registry Number: 82553-56-8
Synonyms: SureCN672668, AGN-PC-00KN8O, 2,2-Dimethylchroman-8-carboxylic acid, AK143191, 2,2-dimethyl-3,4-dihydrochromene-8-carboxylic acid

Molecular Formula:	C₁₂H₁₄O₃	Molecular Weight:	206.237760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CNNKZSZUCRDOIA-UHFFFAOYSA-N

• 5-(PYRIDIN-4-YL)-1,3,4-OXADIAZOL-2-AMINE

IUPAC Name: 5-pyridin-4-yl-1,3,4-oxadiazol-2-amine | CAS Registry Number: 704-56-3
Synonyms: BRN 0391156, MolPort-002-494-045, CID12804, ZINC02031360, 2-Amino-5-(4-pyridyl)-1,3,4-oxadiazole, LS-99081, 1,3,4-OXADIAZOLE, 2-AMINO-5-(4-PYRIDYL)-, F2182-0117

Molecular Formula:	C₇H₆N₄O	Molecular Weight:	162.148740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: JQGJTYPZTLAQIC-UHFFFAOYSA-N

• 4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid

IUPAC Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid | CAS Registry Number: 40133-07-1
Synonyms: Enamine_001826, Oprea1_686622, MLS000096433, MolPort-000-888-951, STK349487, HMS1399C22, ALBB-000244, SMR000061095, CID2063443, BAS 13134257, 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

Molecular Formula:	C₉H₁₀O₂S	Molecular Weight:	182.239500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ROLXOQXKNDKXTA-UHFFFAOYSA-N

• 1H-Indazole, 6-fluoro-

IUPAC Name: 6-fluoro-1H-indazole | CAS Registry Number: 348-25-4
Synonyms: 6-fluoro-1H-indazole, 6-FLUORO (1H)INDAZOLE, 6-Fluoro(1H)indazole, AG-F-19511, 6-Fluoroindazole;, PubChem12467, 6-FLUOROINDAZOLE, ACMC-209ian, 6-fluoranyl-1H-indazole, AGN-PC-01MHGN, SureCN1274135, INDAZOLE, 6-FLUORO-, CHEMBL247366, CTK1C2021, CHEBI:511401, ANW-27981, WTI-10943, ZINC14984745, AKOS005146408, PB32494

Molecular Formula:	C₇H₅FN₂	Molecular Weight:	136.126403 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CFMZDEQEVCDMRN-UHFFFAOYSA-N

• 6-Bromo-3h-Oxazolo[4,5-B]pyridin-2-One

IUPAC Name: 6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one | CAS Registry Number: 21594-52-5
Synonyms: 6-Bromo-3H-oxazolo[4,5-b]pyridin-2-one, 6-bromooxazolo[4,5-b]pyridin-2(3H)-one, AG-E-58248, PubChem17712, ACMC-1CAKB, AGN-PC-00NASF, SureCN488612, CTK4E7226, MolPort-002-499-729, ANW-50746, ZINC15442574, AKOS015918829, QC-4162, RP26852, AK-24539, AM803518, BR-24539, KB-45005, AB1001032, WT-130673

Molecular Formula:	C₆H₃BrN₂O₂	Molecular Weight:	215.004220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: VQPBRWIFFBIRRP-UHFFFAOYSA-N

• 1,5-Naphthyridine-3-carboxylic acid, 4-bromo-6-methoxy-, ethyl ester

IUPAC Name: ethyl 4-bromo-6-methoxy-1,5-naphthyridine-3-carboxylate | CAS Registry Number: 724788-64-1
Synonyms: Ethyl 4-bromo-6-methoxy-1,5-naphthyridine-3-carboxylate, SureCN2951473, CTK8C2708, ANW-68899, AKOS016005798, AK-55194, KB-77114

Molecular Formula:	C₁₂H₁₁BrN₂O₃	Molecular Weight:	311.131340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: KXIRJHCVVKYTLS-UHFFFAOYSA-N

• 1-tert-Butyl-3-nitro-1H-[1,2,4]triazole

IUPAC Name: 1-tert-butyl-3-nitro-1,2,4-triazole | CAS Registry Number: 1185760-32-0
Synonyms: 1-(tert-Butyl)-3-nitro-1H-1,2,4-triazole, MFCD22056230, ZINC79065565, AKOS027335397, AK336798

Molecular Formula:	C₆H₁₀N₄O₂	Molecular Weight:	170.172 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BPLNOVCERPNHDL-UHFFFAOYSA-N

• 5-(1-Methylethyl)-1,3,4-Thiadiazol-2-Amine

IUPAC Name: 5-propan-2-yl-1,3,4-thiadiazol-2-amine | CAS Registry Number: 27115-74-8
Synonyms: ZINC00059747, ALBB-000174, EINECS 248-232-3, 5-Isopropyl-1,3,4-thiadiazol-2-amine, CID147151, GL-0754, SDCCGMLS-0065564.P001, 5-Isopropyl-1,3,4-thiadiazol-2-ylamine, BAS 05277746, 5-Isopropyl-[1,3,4]thiadiazol-2-ylamine, 1,3,4-Thiadiazol-2-amine, 5-(1-methylethyl)-, A0630/0029215

Molecular Formula:	C₅H₉N₃S	Molecular Weight:	143.210060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IGBPZWZBEPBBTR-UHFFFAOYSA-N

• 2H-1-Benzopyran-2-one, 7-hydroxy-8-methyl-4-(1-methylethyl)-

IUPAC Name: 7-hydroxy-8-methyl-4-propan-2-ylchromen-2-one | CAS Registry Number: 850881-96-8
Synonyms: KB-306370, 2h-1-benzopyran-2-one,7-hydroxy-8-methyl-4-(1-methylethyl)-

Molecular Formula:	C₁₃H₁₄O₃	Molecular Weight:	218.248460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: XIEDGLKVAYCXKB-UHFFFAOYSA-N

• 1h-Indazole-3-Carbonitrile

IUPAC Name: 1H-indazole-3-carbonitrile | CAS Registry Number: 50264-88-5
Synonyms: 3-Cyano-1H-indazole, AmbTiC67489, NSC520611, CID437556, ZINC05544212, C67489

Molecular Formula:	C₈H₅N₃	Molecular Weight:	143.145400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: REHRQXVEAXFIML-UHFFFAOYSA-N

• 5-ISOPROPYL-1,3,4-THIADIAZOLE-2-THIOL

IUPAC Name: 5-propan-2-yl-3H-1,3,4-thiadiazole-2-thione | CAS Registry Number: 37663-52-8
Synonyms: SBB059578, 5-(methylethyl)-1,3,4-thiadiazole-2-thiol, SureCN11768800, CTK4H8581, ZINC02511079, AKOS003676519, AG-F-32491, ST51044524

Molecular Formula:	C₅H₈N₂S₂	Molecular Weight:	160.260420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CJMUOXLDOLNLKB-UHFFFAOYSA-N

• 5-Fluoroindole

IUPAC Name: 5-fluoro-1H-indole | CAS Registry Number: 399-52-0
Synonyms: Indole, 5-fluoro-, 1H-Indole, 5-fluoro-, 5-Fluoro-1H-indole, F9108_ALDRICH, NSC88613, EINECS 206-917-4, ZINC00388684, SL-00462, TL8002888, F-4520, F-4525, InChI=1/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10

Molecular Formula:	C₈H₆FN	Molecular Weight:	135.138343 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ODFFPRGJZRXNHZ-UHFFFAOYSA-N

• 6-benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione

IUPAC Name: 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione | CAS Registry Number: 635698-34-9
Synonyms: MolPort-006-717-378, TC-068073, 6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione

Molecular Formula:	C₁₃H₁₃N₃O₂	Molecular Weight:	243.261220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: HHPFBTNJYIYLKC-UHFFFAOYSA-N

• 2-BUTANONE,4-(1H-BENZO[D]IMIDAZOL-2-YL)-

IUPAC Name: 4-(1H-benzimidazol-2-yl)butan-2-one | CAS Registry Number: 19276-01-8
Synonyms: SCHEMBL4573158, AKOS023605112, AK442106, HE040482, HE100524, 2-Butanone, 4-(1H-benzimidazol-2-yl)-, 4-(1H-Benzo[d]imidazol-2-yl)butan-2-one, 4-(1H-1,3-BENZODIAZOL-2-YL)BUTAN-2-ONE, 2-BUTANONE,4-(1H-BENZIMIDAZOL-2-YL)-(9CI)

Molecular Formula:	C₁₁H₁₂N₂O	Molecular Weight:	188.230 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: BPMKLYRTTZXHON-UHFFFAOYSA-N

• 2-(1-Chloro-ethyl)-3-phenyl-3H-thieno[3,2-d]pyrimidin-4-one (CAS: 1029280-27-0)

• 1,5-Dihydropyrrolo[3,2-a]pyrimidine-2,4-dion

IUPAC Name: 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione | CAS Registry Number: 65996-50-1
Synonyms: 1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione, 1,5-Dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione, 1,5-Dihydropyrrolo[3,2-a]pyrimidine-2,4-dione, PubChem15838, AC1LC0AD, Pyrolo[3,2-d]pyrimidin-2,4(1H,3H)-dione, SureCN1460186, SureCN3259988, SureCN4840039, KSC352O9B, CTK2F2790, MolPort-009-197-378, ACN-P000747, WTI-11109, AKOS006284714, AKOS015854489, AG-L-25448, 5H-Pyrrolo[3,2-d]pyrimidine-2,4-diol, AK-28176, BR-28176

Molecular Formula:	C₆H₅N₃O₂	Molecular Weight:	151.122800 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: BSRITDQWGPSXPQ-UHFFFAOYSA-N

• 3H-1,2,4-Triazol-3-one, 4-amino-2,4-dihydro-5-methyl-

IUPAC Name: 4-amino-3-methyl-1H-1,2,4-triazol-5-one | CAS Registry Number: 4194-37-0
Synonyms: AC1LB24S, SureCN8011310, CTK1D3543, 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, AG-K-49820, 4-amino-3-methyl-1H-1,2,4-triazol-5-one, 3-Methyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one

Molecular Formula:	C₃H₆N₄O	Molecular Weight:	114.105940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: RSHSEEWONPESSP-UHFFFAOYSA-N

• 5-(2-methylphenyl)-1,3,4-oxadiazole-2-thiol

IUPAC Name: 5-(2-methylphenyl)-3H-1,3,4-oxadiazole-2-thione | CAS Registry Number: 2503-66-4
Synonyms: 5-o-Tolyl-3H-[1,3,4]oxadiazole-2-thione, AG-690/11667207, AC1LGNJG, AC1Q2NQO, ChemDiv2_000218, MLS000029608, CTK8A8670, CTK8F6392, MolPort-000-932-267, MolPort-002-029-546, HMS1369J20, HMS2304F03, BBL003595, CCG-15890, STK803252, AKOS000117845, AKOS000678822, AG-A-80076, MCULE-5916812342, BAS 00654350

Molecular Formula:	C₉H₈N₂OS	Molecular Weight:	192.237620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HNFIJWNVPWXSOL-UHFFFAOYSA-N

• 4-Methyl-1,2,3-Thiadiazole-5-Carboxaldehyde

IUPAC Name: 4-methylthiadiazole-5-carbaldehyde | CAS Registry Number: 127108-66-1
Synonyms: 4-Methyl-1,2,3-thiadiazole-5-carbaldehyde, AG-D-56636, 1,2,3-Thiadiazole-5-carboxaldehyde,4-methyl-, 1,2,3-Thiadiazole-5-carboxaldehyde, 4-methyl- (9CI), 4-methylthiadiazole-5-carbaldehyde, AC1MCJQJ, ACMC-1BYYC, CTK4B5490, MolPort-004-747-027, ANW-47691, SBB085721, ZINC20443114, AKOS006344018, OR59881, RP00872, 5-Formyl-4-methyl-1,2,3-thiadiazole;, AK-33060, BR-33060, KB-39745, FT-0080051

Molecular Formula:	C₄H₄N₂OS	Molecular Weight:	128.152360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: OXDOIOYUIISYNE-UHFFFAOYSA-N

• 2-Hydrazino-1,3-Benzoxazole

IUPAC Name: 1,3-benzoxazol-2-ylhydrazine | CAS Registry Number: 15062-88-1
Synonyms: Enamine_001604, Oprea1_206919, Oprea1_712943, 2-hydrazino-1,3-benzoxazole, 2-hydrazinyl-1,3-benzoxazole, NSC193633, ALBB-006596, CID303862, STK501164, ZINC05011791, NCI60_001618, T5430929

Molecular Formula:	C₇H₇N₃O	Molecular Weight:	149.149980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: QITJGSMHKVXOFR-UHFFFAOYSA-N

• 5-ISOPROPYL-1,3,4-OXADIAZOL-2-AMINE

IUPAC Name: 5-propan-2-yl-1,3,4-oxadiazol-2-amine | CAS Registry Number: 65283-97-8
Synonyms: 5-isopropyl-1,3,4-oxadiazol-2-amine, 5-Isopropyl-[1,3,4]oxadiazol-2-ylamine, SBB046599, AG-G-45665, 5-(propan-2-yl)-1,3,4-oxadiazol-2-amine, 1,3,4-OXADIAZOL-2-AMINE, 5-(1-METHYLETHYL)-, AC1Q1OYA, AGN-PC-00JUIN, SureCN4714452, SureCN12760254, CTK5C2492, MolPort-004-289-360, ALBB-005856, STK503569, ZINC20282204, AKOS000124055, MCULE-8666172237, PB17590, 2-Amino-5-isopropyl-1,3,4-oxadiazol, KB-99176

Molecular Formula:	C₅H₉N₃O	Molecular Weight:	127.144460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: IIOLDHZNWWMEHN-UHFFFAOYSA-N

• 4-methoxybenzo[d][1,3]dioxole

IUPAC Name: 4-methoxy-1,3-benzodioxole | CAS Registry Number: 1817-95-4
Synonyms: 4-methoxy-1,3-benzodioxole, 2,3-Methylenedioxyanisole, AC1LC11Y, SureCN1145699, 1,3-Benzodioxole, 4-methoxy-, CTK0E2912, 1,3-Benzodioxol-4-yl methyl ether

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: BJMPSYHNUKWPGQ-UHFFFAOYSA-N

• 5-(2,4-Dichloro-phenyl)-[1,3,4]thiadiazole-2-thiol

IUPAC Name: 5-(2,4-dichlorophenyl)-3H-1,3,4-thiadiazole-2-thione | CAS Registry Number: 108413-59-8
Synonyms: SureCN8045944, KB-243264, 5-(2,4-dichlorophenyl)-1,3,4-thiadiazole-2-thiol

Molecular Formula:	C₈H₄Cl₂N₂S₂	Molecular Weight:	263.166760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LRPFZDAHTZZHNF-UHFFFAOYSA-N

• 2-Bromo-4-Methoxybenzothiazole

IUPAC Name: 2-bromo-4-methoxy-1,3-benzothiazole | CAS Registry Number: 3622-39-7
Synonyms: 2-Bromo-4-methoxybenzothiazole, AGN-PC-01UVVO, SureCN3072555, CTK4H6099, Benzothiazole,2-bromo-4-methoxy-, 2-bromo-4-methoxybenzo[d]thiazole, Benzothiazole, 2-bromo-4-methoxy-, ZINC11920211, AG-F-26141, KB-228873

Molecular Formula:	C₈H₆BrNOS	Molecular Weight:	244.108340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZVCFJHNSAMCWGM-UHFFFAOYSA-N

• 5H-Pyrrolo[3,4-d]pyrimidine, 2,4-dichloro-6,7-dihydro-6-(phenylmethyl)-

IUPAC Name: 6-benzyl-2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine | CAS Registry Number: 779323-58-9
Synonyms: 6-Benzyl-2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine, CTK2H5453, ANW-64850, AKOS016005250, AG-A-88933, PB22139, AK103377

Molecular Formula:	C₁₃H₁₁Cl₂N₃	Molecular Weight:	280.152540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RZSMZEYQFCOUKN-UHFFFAOYSA-N

• 6-Bromo-4-Chloroquinoline

IUPAC Name: 6-bromo-4-chloroquinoline | CAS Registry Number: 65340-70-7
Synonyms: 6-Bromo-4-chloroquinoline, 6-bromo-4-chloro-quinoline, ZINC02566488, CID5139537, BBV-25050471, UX00000026

Molecular Formula:	C₉H₅BrClN	Molecular Weight:	242.499700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: KJILYZMXTLCPDQ-UHFFFAOYSA-N

• 2,4-Dichloro-6,7-Dihydro-5H-Pyrrolo[3,4-D]pyrimidine

IUPAC Name: 2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine | CAS Registry Number: 785775-01-1
Synonyms: 2,4-Dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine, CTK8B4850, ANW-46522, AKOS015998725, AB68454, AK-78491, KB-225572, W8454, 2,4-DICHLORO-5H,6H,7H-PYRROLO[3,4-D]PYRIMIDINE

Molecular Formula:	C₆H₅Cl₂N₃	Molecular Weight:	190.030000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: WJXFGDOFMONWMI-UHFFFAOYSA-N

• 2-Methyl-3,1-benzoxaza-4-one

IUPAC Name: 2-methyl-3,1-benzoxazin-4-one | CAS Registry Number: 525-76-8
Synonyms: ACETYL ANTHRANIL, 2-Methyl-4H-3,1-benzoxazin-4-one, 457752_ALDRICH, 4H-3,1-Benzoxazin-4-one, 2-methyl-, 2-Methyl-4-oxo-4H-3,1-benzoxazine, NSC10119, EINECS 208-381-7, NSC 10119, NSC521353, SBB000135, ZINC00114133

Molecular Formula:	C₉H₇NO₂	Molecular Weight:	161.157380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WMQSKECCMQRJRX-UHFFFAOYSA-N