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• LHRH

IUPAC Name: N-[1-[[1-[[1-[[1-[[2-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide | CAS Registry Number: 9034-40-6
Synonyms: Dirigestran, Gonadoliberin, Fertagyl, Hypocrine, Luliberin, Lutrefact, Relefact, Luforan, Lutamin, Lutal, Relisorm l, Gonadorelinum, Luteostimulin, Mammalian GnRH, Cystorelin, Gonadorelina, GONADORELIN, Kryptocur, Nialutin, Synthetic LRF

Molecular Formula:	C₅₅H₇₅N₁₇O₁₃	Molecular Weight:	1182.290100 [g/mol]
H-Bond Donor:	16	H-Bond Acceptor:	17

InChIKey: XLXSAKCOAKORKW-UHFFFAOYSA-N

• Liraglutide

Synonyms: Liraglutide [USAN:INN], Liraglutidum [INN-Latin], Liraglutida [INN-Spanish], N26-(Hexadecanoyl-gamma-glutamyle)-(34-arginine)glucagon-like-peptide-1-(7-37)-peptide, Glycine, L-histidyl-L-alanyl-L-alpha-glutamylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-alpha-aspartyl-L-valyl-L-seryl-L-seryl-L-tyrosyl-L-leucyl-L-alpha-glutamylglycyl-L-glutaminyl-L-alanyl-L-alanyl-N6-(N-(1-oxohexadecyl)-L-gamma-glutamyl)-L-lysyl-L-alpha-glutamyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-tryptophyl-L-leucyl-L-valyl-L-arginylglycyl-L-arginyl-

Molecular Formula:	C₁₇₂H₂₆₅N₄₃O₅₁	Molecular Weight:	3751.202000 [g/mol]
H-Bond Donor:	54	H-Bond Acceptor:	55

InChIKey: KAIWQAZASNVPLR-QCIJIYAXSA-N

• Liranaftate

IUPAC Name: O-(5,6,7,8-tetrahydronaphthalen-2-yl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate | CAS Registry Number: 88678-31-3
Synonyms: Piritetrate, Zefnart, Piritetate, Liranaftate [INN], Zefnart (TN), Liranaftatum [INN-Latin], Liranaftato [INN-Spanish], Liranaftate (JAN/INN), CID3936, AIDS029680, M-732, AIDS-029680, NCGC00164601-01, LS-50830, TL8005749, D01550, O-(5,6,7,8,-Tetrahydro-2-naphthyl) 6-methoxy-N-methylthio-2-pyridinecarbamate, Carbamothioic acid, (6-methoxy-2-pyridinyl)methyl-, O-(5,6,7,8-tetrahydro-2-naphthalenyl) ester

Molecular Formula:	C₁₈H₂₀N₂O₂S	Molecular Weight:	328.428600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: VPHPQNGOVQYUMG-UHFFFAOYSA-N

• Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)

IUPAC Name: (2-butyl-5-nitro-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone | CAS Registry Number: 141645-16-1
Synonyms: (2-Butyl-5-nitrobenzofuran-3-yl)(4-hydroxyphenyl)methanone, 2-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran, Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)-, SureCN282873, AGN-PC-009T7J, MET047, CTK8B6199, ANW-52924, CL4581, AKOS015901881, RL01738, AK-94299, BD231646, KB-62650, FT-0686415, X3192, I14-14008

Molecular Formula:	C₁₉H₁₇NO₅	Molecular Weight:	339.341980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: ZJZKLBXEGZKOBW-UHFFFAOYSA-N

• Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-methoxyphenyl)

IUPAC Name: (2-butyl-5-nitro-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone | CAS Registry Number: 141627-42-1
Synonyms: (2-Butyl-5-nitrobenzofuran-3-yl)(4-methoxyphenyl)methanone, SureCN283212, CTK8B6198, ACN-S002205, ACT08508, ANW-52923, CL4580, AKOS015901847, QC-8893, AK-94300, BD231647, KB-62651, FT-0686414, X3191, 2-(n-Butyl)-3-(4-methoxybenzoyl)-5-nitrobenzofuran, I14-14006

Molecular Formula:	C₂₀H₁₉NO₅	Molecular Weight:	353.368560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: WYALRXZJYXWYGR-UHFFFAOYSA-N

• Methanone, (2-butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]

IUPAC Name: (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone | CAS Registry Number: 141645-23-0
Synonyms: SureCN283110, MET056, CTK4C2735, AKOS015901542, AG-L-59360, KB-62649, I14-13977, (2-Butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]methanone, (2-butyl-5-nitrobenzofuran-3-yl)(4-(3-(dibutylamino)propoxy)phenyl)methanone, Methanone, (2-butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-

Molecular Formula:	C₃₀H₄₀N₂O₅	Molecular Weight:	508.649000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: YIYARJKYRBMMJG-UHFFFAOYSA-N

• Methotrexate

IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid | CAS Registry Number: 59-05-2
Synonyms: methotrexate, Amethopterin, Mexate, Rheumatrex, Antifolan, Hdmtx, Methylaminopterin, Amethopterine, Methotextrate, Ledertrexate, Metatrexan, Methopterin, Methotrexat, Metolate, Maxtrex, Folex, Methylaminopterinum, L-Amethopterin, A-Methopterin, A-Methpterin

Molecular Formula:	C₂₀H₂₂N₈O₅	Molecular Weight:	454.439280 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	12

InChIKey: FBOZXECLQNJBKD-ZDUSSCGKSA-N

• Methotrexate disodium

IUPAC Name: (2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid | CAS Registry Number: 7413-34-5
Synonyms: D-Amethopterin, D-Methotrexate, methotrexate, Ledertrexate, Metatrexan, Rheumatrex, Antifolan, Mexate, Hdmtx, A-Methopterin, A-Methpterin, Amethopterin L-, Folex-Pfs, Methotrexat-Ebewe, Methylaminopterinum, Methotrexate analog, Methotrexate, L-, Metotressato [DCIT], Lopac-A-6770, Lopac-A-9898

Molecular Formula:	C₂₀H₂₂N₈O₅	Molecular Weight:	454.439280 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	12

InChIKey: FBOZXECLQNJBKD-CYBMUJFWSA-N

• METHYL 3-AMINO-5,6-DIMETHYL-PYRAZINE-2-CARBOXYLATE

IUPAC Name: methyl 3-amino-5,6-dimethylpyrazine-2-carboxylate | CAS Registry Number: 6294-72-0
Synonyms: NSC9625, CID222765

Molecular Formula:	C₈H₁₁N₃O₂	Molecular Weight:	181.191840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: UJVSGFCWQWRGPO-UHFFFAOYSA-N

• Mizolastine

IUPAC Name: 2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one | CAS Registry Number: 108612-45-9
Synonyms: Mizollen, Zolistam, Zolistan, Mizolen, Zolim, Mizolastine [INN], Mizollen (TN), Mizolastinum [INN-Latin], Mizolastina [INN-Spanish], Mizolastine (JAN/INN), C24H25FN6O, MKC-431, CID65906, KS-1139, NCGC00181013-01, SL-85.0324, LS-135935, SL 85.0324, D01117, 2-((1-(1-(p-Fluorobenzyl)-2-benzimidazolyl)-4-piperidyl)methylamino)-4(3H)-pyrimidinone

Molecular Formula:	C₂₄H₂₅FN₆O	Molecular Weight:	432.493303 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: PVLJETXTTWAYEW-UHFFFAOYSA-N

• Mocravimod hydrochloride

IUPAC Name: 2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propane-1,3-diol | CAS Registry Number: 509088-69-1
Synonyms: KRP 203, KRP-203, CID11155874, 2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]ethyl]propane-1,3-diol, 2-amino-2-(2-(4-(3-benzyloxyphenylthio)-2-chlorophenyl)ethyl)-1,3-propanediol hydrochloride

Molecular Formula:	C₂₄H₂₆ClNO₃S	Molecular Weight:	443.986140 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: IINUNQPYJGJCJI-UHFFFAOYSA-N

• N-(2-Aminoethyl)-4-morpholinecarboxamide ethanedioate

IUPAC Name: N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid | CAS Registry Number: 154467-16-0
Synonyms: N-(2-Aminoethyl)morpholine-4-carboxamide oxalate, KSC173K5P, CTK0H3557, ANW-53343, SBB068680, AKOS015918329, AK-93568, BD230952, KB-258086, I14-8157, 4-Morpholinecarboxamide, N-(2-aminoethyl)-, ethanedioate (1:1)

Molecular Formula:	C₉H₁₇N₃O₆	Molecular Weight:	263.247780 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: FMVSRINQKOORMK-UHFFFAOYSA-N

• N-(3-Chloropropyl)dibutylamine

IUPAC Name: N-butyl-N-(3-chloropropyl)butan-1-amine | CAS Registry Number: 36421-15-5
Synonyms: NSC51133, CID96084, EINECS 253-027-7

Molecular Formula:	C₁₁H₂₄ClN	Molecular Weight:	205.767960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ANLMKUQEPXRMGV-UHFFFAOYSA-N

• N-{4-[4-(piperidinomethyl)pyridyl-2-Oxy]-Cis-2-Butene}phthalimide Maleate

IUPAC Name: but-2-enedioic acid;2-[4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]isoindole-1,3-dione | CAS Registry Number: 146447-26-9
Synonyms: (Z)-2-(4-((4-(Piperidin-1-ylmethyl)pyridin-2-yl)oxy)but-2-en-1-yl)isoindoline-1,3-dione maleate, CTK8B4372, N-{4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butene}phthalimide maleic acid, ACT06269, ANW-44861, A808508, (Z)-2-(4-(4-(piperidin-1-ylmethyl)pyridin-2-yloxy)but-2-enyl)isoindoline-1,3-dione maleate, but-2-enedioic acid; 2-[4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione, but-2-enedioic acid; 2-[4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]isoindole-1,3-dione

Molecular Formula:	C₂₇H₂₉N₃O₇	Molecular Weight:	507.535060 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: CKMFWYSSYXTDBF-UHFFFAOYSA-N

• Nafarelin

IUPAC Name: N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide | CAS Registry Number: 76932-56-4
Synonyms: NAFARELIN, Synarel, Nafareline [French], Nafarelinum [Latin], Nafarelina [Spanish], Nafarelin [INN:BAN], NAFARELIN ACETATE, Nafarelin Acetate, Hydrate, LHRH, Ala(2-naphthyl)(6)-, C15H17NO, DB00666, LS-88237, C07613, RS-94991-298, 6-(3-(2-Naphthalenyl)-D-alanine)luteinizing hormone-releasing factor (pig), Luteinizing hormone-releasing factor (pig), 6-(3-(2-naphthalenyl)-D-alanine)-, 6918-10-1, 76932-60-0, 86220-42-0, N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Molecular Formula:	C₆₆H₈₃N₁₇O₁₃	Molecular Weight:	1322.471320 [g/mol]
H-Bond Donor:	16	H-Bond Acceptor:	19

InChIKey: RWHUEXWOYVBUCI-UHFFFAOYSA-N

• Olmesartan

IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate | CAS Registry Number: 144689-78-1
Synonyms: N-Butyl Olmesartan Medoxomil, SCHEMBL2844872, MolPort-027-836-950, AKOS016012150, AM90309, AK122587, 1H-Imidazole-5-carboxylic acid, 2-butyl-4-(1-hydroxy-1-methylethyl)-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester

Molecular Formula:	C₃₀H₃₂N₆O₆	Molecular Weight:	572.611680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: UREFBEDUPPNTPO-UHFFFAOYSA-N

• Paeoniflorin

Synonyms: Paeonia moutan, Paeony root, Ambap3981, AIDS002238, AIDS-002238, NSC178886, C09959, .beta.-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl

Molecular Formula:	C₂₃H₂₈O₁₁	Molecular Weight:	480.461820 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: YKRGDOXKVOZESV-WRJNSLSBSA-N

• Paricalcitol

IUPAC Name: (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol | CAS Registry Number: 131918-61-1
Synonyms: Zemplar, Paracalcin, Paricalcitol [USAN], Compound 49510, Zemplar (TN), Compound-49510, Paricalcitol (USAN/INN), Abbott brand of paricalcitol, 19-Nor-1alpha,25-dihydroxyvitamin D2, CHEBI:7931, 19-Nor-1,25-(OH)2D2, HSDB 7360, ABT-358, C27H44O3, Ab 122358, DB00910, 19-Nor-1-alpha,25-dihydroxyvitamin D2, LS-172812, C08127, D00930

Molecular Formula:	C₂₇H₄₄O₃	Molecular Weight:	416.636460 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: BPKAHTKRCLCHEA-UBFJEZKGSA-N

• Posaconazole

IUPAC Name: 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one | CAS Registry Number: 171228-49-2
Synonyms: Spriafil, Noxafil, Posaconazole SP, Sch 56592, SCH-56592, AIDS058495, AIDS-058495, SCH56592, 1-((1S,2S)-1-Ethyl-2-hydroxypropyl)-4-{4-[4-(4-{[(5S,3R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazolylmethyl)oxolan-3-yl]methoxy}phenyl)piperazinyl]phenyl}-1,2,4-triazolin-5-one, PCZ, POS

Molecular Formula:	C₃₇H₄₂F₂N₈O₄	Molecular Weight:	700.777386 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	12

InChIKey: RAGOYPUPXAKGKH-XAKZXMRKSA-N

• Prasugrel

IUPAC Name: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate | CAS Registry Number: 150322-43-3
Synonyms: Effient, Efient, Prasugrel [INN], CS 747, CS-747, CID6918456, LY-640315, Ethanone, 2-(2-(acetyloxy)-6,7-dihydrothieno(3,2-c)pyridin-5(4H)-yl)-1-cyclopropyl-2-(2-fluorophenyl)-

Molecular Formula:	C₂₀H₂₀FNO₃S	Molecular Weight:	373.441103 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: DTGLZDAWLRGWQN-UHFFFAOYSA-N

• Prasugrel Hydrochloride

IUPAC Name: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate hydrochloride | CAS Registry Number: 389574-19-0
Synonyms: Prasugrel hydrochloride, UNII-G89JQ59I13, Prasugrel hydrochloride (USAN), CID10158453, CID 10158453, LY 640315, D05597

Molecular Formula:	C₂₀H₂₁ClFNO₃S	Molecular Weight:	409.902043 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: JALHGCPDPSNJNY-UHFFFAOYSA-N

• Propiverine hydrochloride

IUPAC Name: (1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate hydrochloride | CAS Registry Number: 54556-98-8
Synonyms: Mictonorm, Mictonorm (TN), Bup-4, propiverine hydrochloride, Bup-4 (TN), Propiverine hydrochloride (JAN), NSC172140, D01007

Molecular Formula:	C₂₃H₃₀ClNO₃	Molecular Weight:	403.942200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: KFUJMHHNLGCTIJ-UHFFFAOYSA-N

• Raltitrexed

IUPAC Name: (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid | CAS Registry Number: 112887-68-0
Synonyms: Tomudex, 2kce, 2tsr, Tomudex (TN), ICI D1694, ZD1694, ICI-D1694, MLS001424225, Raltitrexed (JAN/USAN/INN), STOCK6S-47020, C21H22N4O6S, 1i00, AIDS106596, ICI-D-1694, AIDS-106596, ZD 1694, ZD-1694, ZN-D1694, CID104758, NSC639186

Molecular Formula:	C₂₁H₂₂N₄O₆S	Molecular Weight:	458.487580 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: IVTVGDXNLFLDRM-HNNXBMFYSA-N

• Saxagliptin hydrate

IUPAC Name: (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;hydrate | CAS Registry Number: 945667-22-1
Synonyms: CHEBI:71271, Saxagliptin, Onglyza, Onglyza (TN), BMS-477118-11, saxagliptin monohydrate, CHEMBL2103745, Saxagliptin hydrate (JAN/USAN), D09753, A845005, (1S,3S,5S)-2-((2S)-Amino(3-hydroxytricyclo(3.3.1.13,7)dec-1-yl)acetyl)2-azabicyclo(3.1.0)hexane-3-carbonitrile monohydrate, (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile--water (1/1), (1S,3S,5S)-4-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-oxoethyl]-4-azabicyclo[3.1.0]hexane-3-carbonitrile hydrate, (1S,3S,5S)-4-[(2S)-2-azanyl-2-(3-oxidanyl-1-adamantyl)ethanoyl]-4-azabicyclo[3.1.0]hexane-3-carbonitrile hydrate

Molecular Formula:	C₁₈H₂₇N₃O₃	Molecular Weight:	333.425280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: AFNTWHMDBNQQPX-NHKADLRUSA-N

• Sermorelin

Synonyms: Sermorelina, Sermoreline, Sermorelinum, Geref, SERMORELIN, Sermoreline [French], Sermorelinum [Latin], Sermorelina [Spanish], Sermorelin [INN:BAN], UNII-89243S03TE, 114466-38-5 (acetate), DB00010, C08192, L000266, GROWTH HORMONE RELEASING FACTOR, Fragment 1-29 Amide, 3-[[5-amino-2-[[2-[[2-[[6-amino-2-[[2-[2-[[2-[[2-[[5-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-4-hydroxy-4-oxobutanoyl]amino]propanoylamino]-3-methylpentanoyl]amino]-3-cyclohexylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobu, Somatoliberin (human pancreatic islet), 29-L-argininamide-30-de-L-glutamine-31-de-L-glutamine-32-deglycine-33-de-L-glutamic acid-34-de-L-serine-35-de-L-asparagine-36-de-L-glutamine-37-de-L-glutamic acid-38-de-L-arginine-39-deglycine-40-de-L-alanine-41-de-L-arginine-42-de-L-alanine-43-de-L-argininyl-44-de-L-leucinamide, Tyr-Ala-Asp-Ala-Ile-Phe-Thr-Asn- Ser-Tyr-Arg-Lys-Val-Leu-Gly-Gln- Leu-Ser-Ala-Arg-Lys-Leu-Leu-Gln- Asp-Ile-Met-Ser-Arg-NH2

Molecular Formula:	C₁₄₉H₂₄₆N₄₄O₄₂S	Molecular Weight:	3357.882140 [g/mol]
H-Bond Donor:	52	H-Bond Acceptor:	54

InChIKey: WGWPRVFKDLAUQJ-UHFFFAOYSA-N

• Silodosin

IUPAC Name: 1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide | CAS Registry Number: 160970-54-7
Synonyms: Rapaflo, Urief, Rapflo, Urief (TN), Silodosin (JAN/INN), UNII-CUZ39LUY82, KMD 3213, KMD3213, CHEBI:133307, KAD-3213, KMD-3213, CID5312125, D01965, 1-(3-Hydroxy-propyl)-5-((R)-2-{2-[2-(2,2,2-trifluoro-ethoxy)-phenoxy]-ethylamino}-propyl)-2,3-dihydro-1H-indole-7-carboxylic acid amide

Molecular Formula:	C₂₅H₃₂F₃N₃O₄	Molecular Weight:	495.534490 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: PNCPYILNMDWPEY-QGZVFWFLSA-N

• Sodium 2-mercaptoethanesulfonate

IUPAC Name: sodium 2-sulfanylethanesulfonate | CAS Registry Number: 19767-45-4
Synonyms: mesna, Uromitexan, Mesnex, Mistabronco, Mistabron, Mucofluid, Mitexan, Mesnum, coenzyme M, Ifex/Mesnex Kit, Uromitexan (TN), Mesnum [INN-Latin], Mesnex (TN), Prestwick_1005, Ifosfamide/Mesna Kit, Mesna [USAN:BAN:INN], Spectrum2_000752, Spectrum3_001483, Spectrum4_000041, Spectrum5_001174

Molecular Formula:	C₂H₅NaO₃S₂	Molecular Weight:	164.179070 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XOGTZOOQQBDUSI-UHFFFAOYSA-M

• Tetrabenzyl-voglibose

IUPAC Name: 2-[[(2S,4S,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]amino]propane-1,3-diol | CAS Registry Number: 115250-39-0
Synonyms: Tetrabenzyl-voglibose(TBV), KB-81030

Molecular Formula:	C₃₈H₄₅NO₇	Molecular Weight:	627.766400 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: DYSHUNINHUTCLX-GZLOPLGZSA-N

• Thiaproline

IUPAC Name: (4R)-1,3-thiazolidine-4-carboxylic acid | CAS Registry Number: 34592-47-7
Synonyms: L-Thioproline, L-Thiaproline, Thiazolidinecarboxylic acid, C4H7NO2S, CCRIS 3646, T27502_ALDRICH, L-Thiazolidine-4-carboxylic acid, T0631_SIGMA, (R)-4-Thiazolidinecarboxylic acid, 4-Thiazolidinecarboxylic acid, L-, L-4-Thiazolidinecarboxylic acid, (4R)-4-Thiazolidinecarboxylic acid, (R)-Thiazolidine-4-carboxylic acid, EINECS 252-106-3, 4-Thiazolidinecarboxylic acid, (R)-, 4-Thiazolidinecarboxylic acid, (4R)-, (R)-(-)-4-Thiazolidinecarboxylic acid, SBB015063, NCGC00166087-01, LS-151163

Molecular Formula:	C₄H₇NO₂S	Molecular Weight:	133.168880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DZLNHFMRPBPULJ-VKHMYHEASA-N

• Thymopentin

IUPAC Name: (3S)-3-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid | CAS Registry Number: 69558-55-0
Synonyms: Sintomodulina, Mepentil, THYMOPENTIN, Timunox, RKDVY, Arg-Lys-Asp-Val-Tyr, Thymopentin (USAN/INN), TP-5, MLS000069768, AIDS000127, AIDS-000127, ORF-15244, SMP1_000105, SMR000058921, D06117

Molecular Formula:	C₃₀H₄₉N₉O₉	Molecular Weight:	679.764960 [g/mol]
H-Bond Donor:	11	H-Bond Acceptor:	14

InChIKey: PSWFFKRAVBDQEG-YGQNSOCVSA-N

• Thymosin A1 Acetate

Synonyms: Fx Peptide, Thymosin beta4, Thymosin beta(4)

Molecular Formula:	C₂₁₂H₃₅₀N₅₆O₇₈S	Molecular Weight:	4963.440800 [g/mol]
H-Bond Donor:	72	H-Bond Acceptor:	87

InChIKey: UGPMCIBIHRSCBV-XNBOLLIBSA-N

• Triptorelin

IUPAC Name: (2R)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide | CAS Registry Number: 57773-63-4
Synonyms: TRIPTORELIN, Triptorelin (USAN/INN), D06247

Molecular Formula:	C₆₄H₈₂N₁₈O₁₃	Molecular Weight:	1311.448680 [g/mol]
H-Bond Donor:	17	H-Bond Acceptor:	20

InChIKey: IIQLAJJICQHSQF-ZRCOYIOASA-N

• Ursolic acid

IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | CAS Registry Number: 77-52-1
Synonyms: Prunol, Malol, Urson, Merotaine, 3-epi-ursolic acid, .beta.-Ursolic acid, Prestwick3_000089, CCRIS 7123, BSPBio_000018, MLS000728569, MLS002154196, U6753_SIGMA, NSC4060, BPBio1_000020, CHEBI:9908, 3beta-Hydroxyurs-12-en-28-oic acid, NSC 4060, 89797_FLUKA, EINECS 201-034-0, TOS-BB-0966

Molecular Formula:	C₃₀H₄₈O₃	Molecular Weight:	456.700320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-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:	C₁₆H₁₄F₃N₅O	Molecular Weight:	349.310470 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: BCEHBSKCWLPMDN-MGPLVRAMSA-N

• 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester

IUPAC Name: 2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate | CAS Registry Number: 86770-31-2
Synonyms: 3,5-dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester, 2-tert-butyl 4-ethyl 3,5-dimethyl-1h-pyrrole-2,4-dicarboxylate, SBB053902, 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylicacid, t-butyl-2,4-dimethyl-3-carbethoxy pyrrole-5-carboxylate, 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid-2 -butyl-4-ethyl ester, 3,5-dimethyl-1h-pyrrole-2,4-dicarboxylic acid-2-butyl-4-ethyl ester, 3,5-dimethylpyrrole-2,4-dicarboxylic acid 4-ethyl ester-2-t-butyl ester, 3,5-dimethylpyrrole-2,4-dicarboxylic acid 4-ethyl ester-2-tert-butyl ester, 1H-PYRROLE-2,4-DICARBOXYLIC ACID, 3,5-DIMETHYL-, 2-(1,1-DIMETHYLETHYL) 4-ETHYL ESTER, ethyl 5-[(tert-butyl)oxycarbonyl]-2,4-dimethylpyrrole-3-carboxylate, PubChem23989, AC1N8PXZ, SureCN1627629, CTK6F5174, MolPort-001-770-968, ZINC02391900, AKOS015888742, AB11085, AC-4253

Molecular Formula:	C₁₄H₂₁NO₄	Molecular Weight:	267.320840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: CJXJFSNESZDOGK-UHFFFAOYSA-N

• 4-Isopropoxyethoxymethyl-1-Hydroxybenzene

IUPAC Name: 4-(2-propan-2-yloxyethoxymethyl)phenol | CAS Registry Number: 177034-57-0
Synonyms: 4-[(2-ISOPROPOXYETHOXY)METHYL]PHENOL, 4-((2-isopropoxyethoxy)methyl)phenol, AG-E-27408, SureCN3369539, CTK4D6400, MolPort-005-935-401, ANW-59136, ZINC21985924, AKOS015961981, AC-4498, AK-47530, 4-[[2-(1-Methylethoxy)ethoxy]methyl]phenol, FT-0643714

Molecular Formula:	C₁₂H₁₈O₃	Molecular Weight:	210.269520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ISQLWWCGQXEAJG-UHFFFAOYSA-N

• (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane

IUPAC Name: 1-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-methylmethanamine;hydrochloride | CAS Registry Number: 866783-13-3
Synonyms: (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride, SureCN385259, CTK8B4485, MolPort-009-199-983, ANW-45256, AKOS015907626, AC-5503, RP28619, AK-44950, KB-00782, AB1008543, ST51054810, X0048, A20090, I14-2897, (1S)-4,5-Dimethoxy-1-(methylamino)methylbenzocyclobutane hydrochloride, (7S)-3,4-Dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-methanamine hydrochloride

Molecular Formula:	C₁₂H₁₈ClNO₂	Molecular Weight:	243.729820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: SWSAIQSQSDOONK-SBSPUUFOSA-N

• 1H-Inden-2-ol,5-bromo-2,3-dihydro-

IUPAC Name: 5-bromo-2,3-dihydro-1H-inden-2-ol | CAS Registry Number: 862135-61-3
Synonyms: 5-bromoindan-2-ol, 5-bromo-2,3-dihydro-1H-Inden-2-ol, 5-bromo-2-indanol, 1H-Inden-2-ol, 5-bromo-2,3-dihydro-, 5-Bromo-indan-2-ol, SureCN13227654, KSC493Q4J, 5-BROMO-2-HYDROXYINDANE, CTK3J3844, MolPort-009-198-880, ACT08703, ANW-49448, AKOS015918299, AB66019, AG-L-59593, RP26737, AK-36598, AM804431, BR-36598, KB-41936

Molecular Formula:	C₉H₉BrO	Molecular Weight:	213.071160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: QYVONEHTDRTAHN-UHFFFAOYSA-N

• 2-Pyrimidinamine, 4-(3-pyridinyl)-

IUPAC Name: 4-pyridin-3-ylpyrimidin-2-amine | CAS Registry Number: 66521-66-2
Synonyms: 4-(pyridin-3-yl)pyrimidin-2-amine, 4-(3-Pyridinyl)-2-aminopyrimidine, 2-Amino-4-(3-pyridinyl)-pyrimidine, 4-(3-Pyridinyl)-2-pyrimidine amine, CHEMBL1236798, 4-(3-Pyridinyl)-2-pyrimidinamine, 4-(3-pyridyl)pyrimidine-2-ylamine, AG-G-51048, 4-(PYRIDIN-3-YL)-2-PYRIMIDINE AMINE, 2xdk, SureCN210431, CTK5C4848, 4-(3-Pyridyl)-2-pyrimidinamine, MolPort-002-344-109, BB_SC-5653, AMX10176, 2-Amino-4-(3-pyridinyl)pyrimidine, 2-Pyrimidinamine,4-(3-pyridinyl)-, ANW-44611, SBB070175

Molecular Formula:	C₉H₈N₄	Molecular Weight:	172.186620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: LQHQKYWYKPLKCH-UHFFFAOYSA-N

• 8-Benzyloxy-5-(2-Bromoacetyl)-2-Hydroxyquinoline

IUPAC Name: 5-(2-bromoacetyl)-8-phenylmethoxy-1H-quinolin-2-one | CAS Registry Number: 100331-89-3
Synonyms: 8-Benzyloxy-5-(2-bromoacetyl)-2-hydroxyquinoline, 8-Benzyloxy-5-(2-Bromoacetyl)-1H-quinolin-2-one, 1-(8-(benzyloxy)-2-hydroxyquinolin-5-yl)-2-bromoethanone, 2(1H)-Quinolinone,5-(2-bromoacetyl)-8-(phenylmethoxy)-, PubChem13456, ACMC-209y3a, CTK3J8799, MolPort-009-198-427, ACT04908, 5-Bromoacetyl-8-benzyloxycarbostyril, 8-Benzyloxy-5-bromoacetylcarbostyril, ANW-48452, ZINC15442646, AKOS015920361, AG-D-05135, RL00032, AK-28344, BR-28344, KB-46651, KB-250227

Molecular Formula:	C₁₈H₁₄BrNO₃	Molecular Weight:	372.212660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: RVHSDLUBNZBRMH-UHFFFAOYSA-N

• 5-[(2R)-2-Aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile (2R,3R)-2,3-dihydroxybutanedioate

IUPAC Name: 3-[5-[(2R)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl benzoate;(2R,3R)-2,3-dihydroxybutanedioic acid | CAS Registry Number: 239463-85-5
Synonyms: (R)-3-(5-(2-Aminopropyl)-7-cyanoindolin-1-yl)propyl benzoate (2R,3R)-2,3-dihydroxysuccinate, 5-[(2R)-2-AMINOPROPYL]-1-[3-(BENZOYLOXY)PROPYL]-2,3-DIHYDRO-1H-INDOLE-7-CARBONITRILE (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE, (R)-5-(2-aminopropyl)-1-(3-benzoyloxypropyl) Indoline-7-Carbonitrile Tartaric acid, PubChem20271, SureCN6595413, CTK8B6227, ANW-53026, AKOS015895766, RL02759, AK-94052, AM20090776, ST51053102, X6203, X6208, I06-1505, 1H-Indole-7-carbonitrile, 5-[(2R)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-, (2R,3R)-2,3-dihydroxybutanedioate (1:1), 5-[(2R)-2-aminopropyl]-1-[3-(benzoyloxy) propyl]-2,3-dihydro-1H-Indole-7-carbonitrile-(2R,3R)-2,3-dihydroxybutanedioate

Molecular Formula:	C₂₆H₃₁N₃O₈	Molecular Weight:	513.539640 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: KYUCVOVGODORNE-NUFNRNBZSA-N

• 4-(N,N-Dimethylamino)butanal dimethyl acetal

IUPAC Name: 4,4-dimethoxy-N,N-dimethylbutan-1-amine | CAS Registry Number: 19718-92-4
Synonyms: 4-(Dimethylamino)butyraldehyde Dimethyl Acetal, (4,4-Dimethoxy-butyl)-dimethyl-amin, AG-E-43933, 4,4-dimethoxy-N,N-dimethylbutan-1-amine, 4-(N,N-Dimethylamino)butanaldimethylacetal, 4-(DIMETHYLAMINO)BUTANAL DIMETHYL ACETAL, zlchem 458, ACMC-1B47V, ZLC0321, MolPort-003-986-569, ACT04354, ANW-23742, 4,4-Dimethoxy-N,N-dimethylbutylamine, (4,4-Dimethoxy-butyl)-dimethyl-amine, AKOS006344719, AC-2018, AK-81530, n,n-dimethyl-4,4-dimethoxy-1-butanamine, 4-dimethylamino butyaldehyde dimethylacetal, 4-dimethylaminobutyaldehyde dimethyl acetal

Molecular Formula:	C₈H₁₉NO₂	Molecular Weight:	161.241960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WDZKKBDOGYBYBG-UHFFFAOYSA-N

• (4,4-Diethoxy-butyl)-dimethyl-amine

IUPAC Name: 4,4-diethoxy-N,N-dimethylbutan-1-amine | CAS Registry Number: 1116-77-4
Synonyms: 4,4-Diethoxy-N,N-dimethyl-1-butanamine, 4,4-Diethoxy-N,N-dimethylbutylamine, 4,4-diethoxy-N,N-dimethylbutan-1-amine, N,N-Dimethyl-4-aminobutanal diethyl acetal, 4-(Dimethylamino)butyraldehyde Diethyl Acetal, 4-(N,N-Dimethylamino)Butanal Diethyl Acetal, PubChem20793, 4-Dimethylaminobutyraldehyde diethylacetal, AC1LC3BP, ACMC-1C8HB, AGN-PC-0D2XPV, KSC174M6H, 647055_ALDRICH, Jsp000876, CTK0H4663, MolPort-003-938-228, ACT04416, 4,4-Diethoxy-N,N-dimethylbutanamine, 4-Dimethylaminobutanal diethyl acetal, ANW-16306

Molecular Formula:	C₁₀H₂₃NO₂	Molecular Weight:	189.295120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: QKXMWBLNSPNBEY-UHFFFAOYSA-N

• 2,3,4,6-Tetra-O-benzyl-D-glucopyranose

IUPAC Name: (2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol | CAS Registry Number: 6564-72-3
Synonyms: 2,3,4,6-Tetra-O-benzyl-a-D-glucopyranose, 4132-28-9, PubChem21934, PubChem24349, SureCN1457585, MolPort-019-910-036, AKOS016008732, AK110772, K068, FT-0084642, FT-0609368, FT-0654274, (2S,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-ol, (2S,3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2H-pyran-2-ol

Molecular Formula:	C₃₄H₃₆O₆	Molecular Weight:	540.646040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: OGOMAWHSXRDAKZ-RUOAZZEASA-N

• 2,4-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

IUPAC Name: ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate | CAS Registry Number: 2199-51-1
Synonyms: Ambap1106, MLS000516371, NSC13425, CID137481, ZINC01729613, SMR000342505, 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, ethyl ester, InChI=1/C9H13NO2/c1-4-12-9(11)8-6(2)5-10-7(8)3/h5,10H,4H2,1-3H

Molecular Formula:	C₉H₁₃NO₂	Molecular Weight:	167.205020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QWSFDUPEOPMXCV-UHFFFAOYSA-N

• (3-Dimethylaminopropyl)triphenylphosphonium Bromide Hydrobromide

IUPAC Name: 3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide | CAS Registry Number: 27710-82-3
Synonyms: [3-(Dimethylamino)propyl]triphenylphosphonium bromide hydrobromide, (3-(dimethylamino)propyl)triphenylphosphonium bromide hydrobromide, (3-dimethylaminopropyl)triphenylphosphonium bromide hbr, KSC201S2P, CTK1A1927, MolPort-003-986-707, ANW-73138, AKOS015889870, AB02982, AC-4737, AM84872, AK106139, KB-70744, N760, TL8002222, FT-0638717, ST51051796, I01-3548, 3-dimethylaminopropyltriphenylphosphonium bromide hydrobromide, [3-(DIMETHYLAMINO)PROPYL]TRIPHENYLPHOSPHANIUM BROMIDE HYDROBROMIDE

Molecular Formula:	C₂₃H₂₈Br₂NP	Molecular Weight:	509.256882 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NEQVFHFOWYYPBS-UHFFFAOYSA-M

• 4-(2-hydroxyethyl)oxyindole

IUPAC Name: 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one | CAS Registry Number: 139122-19-3
Synonyms: 4-(2-Hydroxyethyl)indolin-2-one, 1,3-Dihydro-4-(2-hydroxyethyl)-2H-Indol-2-one, 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indole-2-one, PubChem14624, 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one, SureCN154311, UNII-6YTE425882, MolPort-003-847-853, ACT02510, AC-499, ANW-47021, ZINC22000127, AKOS005258766, RL01686, AK-77220, KB-64475, 4-(2-Hydroxyethyl)-1,3-dihydro-2H-indolin-2-one

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

InChIKey: QRTHVOUKWCEPKJ-UHFFFAOYSA-N

• (S)-N-Glycidylphthalimide

IUPAC Name: 2-[[(2S)-oxiran-2-yl]methyl]isoindole-1,3-dione | CAS Registry Number: 161596-47-0
Synonyms: (S)-(+)-N-(2,3-Epoxypropyl)phthalimide, 2-[(2S)-oxiran-2ylmethyl]-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 2-[(2S)-2-oxiranylmethyl]-, PubChem21402, AC1LEX2B, 671606_ALDRICH, ISO076, MolPort-003-985-039, AMX10111, ANW-21945, RW2424, ZINC00119624, (S)-N-(2,3-Epoxypropyl)phthalimide, AM84540, LS40034, RL02069, AK-45100, FT-0686960, G0328, X1032

Molecular Formula:	C₁₁H₉NO₃	Molecular Weight:	203.194060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: DUILGEYLVHGSEE-ZETCQYMHSA-N

• 5-CHLOROPYRAZINE-2-CARBALDEHYDE

IUPAC Name: 5-chloropyrazine-2-carbaldehyde | CAS Registry Number: 88625-24-5
Synonyms: Pyrazinecarboxaldehyde, 5-chloro-, ACMC-20abkd, CTK3A8722, ANW-65915, 5-CHLORO-PYRAZINECARBOXALDEHYDE, AKOS006304610, 5-CHLORO-2-PYRAZINECARBALDEHYDE, AG-H-58032, PB20478, QC-6840, 5-CHLOROPYRAZINE-2-CARBOXALDEHYDE, AK-87373, KB-245779

Molecular Formula:	C₅H₃ClN₂O	Molecular Weight:	142.543120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UIKDIRUDGAKSGG-UHFFFAOYSA-N

• 5,7-Dichloropyrido[4,3-d]pyrimidin-4(3H)-one

IUPAC Name: 5,7-dichloro-1H-pyrido[4,3-d]pyrimidin-4-one | CAS Registry Number: 918898-11-0
Synonyms: CTK8B8768, ANW-61214, AKOS016003360, AK-55115, KB-73150

Molecular Formula:	C₇H₃Cl₂N₃O	Molecular Weight:	216.024220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: RSFOPHFEGIMSKX-UHFFFAOYSA-N