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• a,a'-Dichloro-o-xylene

IUPAC Name: 1,2-bis(chloromethyl)benzene | CAS Registry Number: 612-12-4
Synonyms: o-Xylylene dichloride, 1,2-Bis(chloromethyl)benzene, o-Bis(chloromethyl)benzene, Benzene, 1,2-bis(chloromethyl)-, alpha,alpha'-Dichloro-o-xylene, CCRIS 1773, 123889_ALDRICH, 36570_FLUKA, EINECS 210-291-8, NSC 71934, o-XYLENE, alpha,alpha'-DICHLORO-, NSC71934, BRN 2043675, .alpha.,.alpha.'-Dichloro-o-xylene, ZINC00330702, AI3-16046, o-Xylene, .alpha.,.alpha.'-dichloro-, LS-162600, 4-05-00-00927 (Beilstein Handbook Reference), AC-509/25002089

Molecular Formula:	C₈H₈Cl₂	Molecular Weight:	175.055120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: FMGGHNGKHRCJLL-UHFFFAOYSA-N

• Acetyl Sulphanilyl Chloride

IUPAC Name: 4-acetamidobenzenesulfonyl chloride | CAS Registry Number: 121-60-8
Synonyms: Dagenan chloride, N-Acetylsulfanilyl chloride, Acetylsulfanilyl chloride, N4-Acetylsulfanilyl chloride, 4-Chlorosulfonylacetanilide, p-Acetaminobenzenesulfonyl chloride, N-Acetylsulphanilyl chloride, Acetanilide-p-sulfonyl chloride, Sulfanilyl chloride, N-acetyl-, p-(Chlorosulfonyl)acetanilide, p-Acetamidobenzenesulfonyl chloride, p-Acetylaminobenzenesulfochloride, 4-Acetamidobenzenesulfonyl chloride, p-Acetamidophenylsulfonyl chloride, 4-Acetamidophenylsulfonyl chloride, HSDB 2712, 4'-(Chlorosulfonyl)acetanilide, 112747_ALDRICH, Benzenesulfonyl chloride, 4-(acetylamino)-, N(sup 4)-Acetylsulfanilyl chloride

Molecular Formula:	C₈H₈ClNO₃S	Molecular Weight:	233.672020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GRDXCFKBQWDAJH-UHFFFAOYSA-N

• alpha-Toluenesulfonyl chloride

IUPAC Name: phenylmethanesulfonyl chloride | CAS Registry Number: 1939-99-7
Synonyms: Benzylsulfochloride, Benzylsulfonyl chloride, Phenylmethanesulfonyl chloride, Benzenemethanesulfonyl chloride, Toluenesulphonyl chloride, .alpha.-Toluenesulfonyl chloride, Methanesulfonyl chloride, phenyl-, 159719_ALDRICH, Toluene-alpha-sulphonyl chloride, BZS-0-0, NSC41894, EINECS 217-717-1, EINECS 247-990-2, NSC 41894, SBB016732, alpha-Toluenesulfonyl chloride (8CI), InChI=1/C7H7ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H, 26763-71-3

Molecular Formula:	C₇H₇ClO₂S	Molecular Weight:	190.647280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OAHKWDDSKCRNFE-UHFFFAOYSA-N

• Amantadine Hydrochloride

IUPAC Name: adamantan-1-amine hydrochloride | CAS Registry Number: 665-66-7
Synonyms: Symmetrel, Influenol, Midantane, Mydantane, Trivaline, Amazolon, Midantan, Amantan, Viregyt, Virosol, amantadine, Amantadine hydrochloride, Symadine, Virofral, Virasol, Amantadine HCl, Adamantine hydrochloride, Symmetrel (TN), 1-Adamantanamine hydrochloride, Adamantanamine hydrochloride

Molecular Formula:	C₁₀H₁₈ClN	Molecular Weight:	187.709620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: WOLHOYHSEKDWQH-UHFFFAOYSA-N

• Anisole

IUPAC Name: methoxybenzene | CAS Registry Number: 100-66-3
Synonyms: Methoxybenzene, ANISOLE, Benzene, methoxy-, Methyl phenyl ether, Anizol, Phenoxymethane, Benzene, methoxy, Anisol, Phenol methyl ether, Phenyl methyl ether, Ether, methyl phenyl, FEMA Number 2097, Ether, methyl phenyl-, HSDB 44, FEMA No. 2097, WLN: 1OR, 296295_ALDRICH, NSC 7920, 10520_FLUKA, 96109_FLUKA

Molecular Formula:	C₇H₈O	Molecular Weight:	108.137820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: RDOXTESZEPMUJZ-UHFFFAOYSA-N

• Anthracene-9-Carboxylic Acid

IUPAC Name: anthracene-9-carboxylic acid | CAS Registry Number: 723-62-6
Synonyms: 9-Anthroic acid, 9-Anthracenecarboxylic acid, 9-Carboxyanthracene, ANCA, anthracene-9-carboxylic acid, 9-AC cpd, Spectrum_001457, Tocris-0963, Spectrum3_001767, Spectrum4_000875, Spectrum5_001807, 9-ACA, 9-anthracene carboxylic acid, A89405_ALDRICH, BSPBio_003233, KBioGR_001569, KBioSS_001937, 9-anthroic acid, sodium salt, Anthracene-10-carboxylic acid, DivK1c_000919

Molecular Formula:	C₁₅H₁₀O₂	Molecular Weight:	222.238700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XGWFJBFNAQHLEF-UHFFFAOYSA-N

• Anthracene-9-Methanol

IUPAC Name: anthracen-9-ylmethanol | CAS Registry Number: 1468-95-7
Synonyms: 9-Anthracenemethanol, 9-Anthrylcarbinol, 9-Anthrylmethanol, 9-Methylolanthracene, 9-Hydroxymethylantracene, Anthracene-9-carbinol, 9-Hydroxymethylanthracene, 9-(Hydroxymethyl)anthracene, CCRIS 7297, 187240_ALDRICH, EINECS 215-998-5, NSC 241166, 9-ANTHRACENE METHYL CARBINOL, BRN 1873402, NSC241166, ZINC01763653, LS-20355, TL8001030, PB247694202, 4-06-00-04944 (Beilstein Handbook Reference)

Molecular Formula:	C₁₅H₁₂O	Molecular Weight:	208.255180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: JCJNNHDZTLRSGN-UHFFFAOYSA-N

• Benzaldehyde 2 Sulphonic Acid Ns Salt

IUPAC Name: sodium 2-formylbenzenesulfonate | CAS Registry Number: 1008-72-6
Synonyms: Sodium o-formylbenzenesulfonate, Sodium 2-formylbenzenesulfonate, Sodium o-benzaldehyde sulfonate, 2-Sulfobenzaldehyde sodium salt, Sodium 2-formyl-benzolsulfonate, Sodium benzaldehyde-2-sulfonate, Sodium 2-formylbenzenesulphonate, 12050_FLUKA, 2-Sulfobenzaldehyde, sodium salt, NSC 4868, EINECS 213-758-4, 2-Formylbenzenesulfonic acid sodium salt, Benzaldehyde-o-sulfonic acid sodium salt, o-Formylbenzenesulfonic acid sodium salt, Benzaldehyde-2-sulfonic acid sodium salt, o-FORMYLBENZENESULFONIC ACID, Na TECH, Benzenesulfonic acid, 2-formyl-, sodium salt, Benzenesulfonic acid, o-formyl-, sodium salt (8CI)

Molecular Formula:	C₇H₅NaO₄S	Molecular Weight:	208.166970 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ADPUQRRLAAPXGT-UHFFFAOYSA-M

• Benzaldehyde 2,4 Disulfonic Acid

IUPAC Name: disodium 4-formylbenzene-1,3-disulfonate | CAS Registry Number: 33513-44-9
Synonyms: EINECS 251-551-0, Disodium 4-formylbenzene-1,3-disulphonate, 4-Formyl-1,3-benzenedisulfonic acid, disodium salt, 1,3-Benzenedisulfonic acid, 4-formyl-, disodium salt, BENZALDEHYDE-2,4-DISULFONIC ACID, Na SALT, TECH

Molecular Formula:	C₇H₄Na₂O₇S₂	Molecular Weight:	310.212000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: UUKHCUPMVISNFW-UHFFFAOYSA-L

• Benzofuran-2-one

IUPAC Name: 3H-1-benzofuran-2-one | CAS Registry Number: 553-86-6
Synonyms: 2-Coumaranone, 2(3H)-Benzofuranone, 3H-benzofuran-2-one, (3H)-Benzofuran-2-one, 124591_ALDRICH, EINECS 209-052-0, NSC227414, ZINC01757785, AI3-36067, InChI=1/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H

Molecular Formula:	C₈H₆O₂	Molecular Weight:	134.132040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ACZGCWSMSTYWDQ-UHFFFAOYSA-N

• Benzophenone Hydrazone

IUPAC Name: di(phenyl)methylidenehydrazine | CAS Registry Number: 5350-57-2
Synonyms: Benzophenone hydrazone, Benzophenonehydrazone, Diphenylmethanone hydrazone, Benzophenone, hydrazone, Diphenyl ketone hydrazone, Methanone, diphenyl-, hydrazone, B9602_ALDRICH, NSC 43, NSC43, Diphenyldiazomethane precursor, CBDivE_000311, MLS001181010, EINECS 226-321-8, SBB007642, ZINC00270781, Benzophenone, hydrazone (6CI,7CI,8CI), AI3-52536, LS-91250, SMR000475984, AE-848/30735021

Molecular Formula:	C₁₃H₁₂N₂	Molecular Weight:	196.247780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: QYCSNMDOZNUZIT-UHFFFAOYSA-N

• Benzophenone-1

IUPAC Name: (2,4-dihydroxyphenyl)-phenylmethanone | CAS Registry Number: 131-56-6
Synonyms: Benzoresorcinol, Resbenzophenone, Inhibitor DHBP, Advastab 48, Uvistat 12, 4-Benzoyl resorcinol, Uvinol 400, Uvinul 400, Quinsorb 010, Syntase 100, Eastman Inhibitor DHPB, Dastib 263, DHBP cpd, 4-Benzoylresorcinol, Benzophenone, 2,4-dihydroxy-, 2,4-DIHYDROXYBENZOPHENONE, Enamine_001926, UF 1, USAF DO-28, USAF ND-54

Molecular Formula:	C₁₃H₁₀O₃	Molecular Weight:	214.216700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: ZXDDPOHVAMWLBH-UHFFFAOYSA-N

• Benzophenone-2

IUPAC Name: bis(2,4-dihydroxyphenyl)methanone | CAS Registry Number: 131-55-5
Synonyms: Uvinol D-50, Uvinul D-50, 2,2',4,4'-Tetrahydroxybenzophenone, Methanone, bis(2,4-dihydroxyphenyl)-, Oprea1_250768, T16403_ALDRICH, Bis(2,4-dihydroxyphenyl)methanone, 2,4,2',4'-Tetrahydroxybenzophenone, 2,2',4,4'-hydroxybenophenone, EINECS 205-028-9, NSC 38556, 2,2',4,4'-Tetrahydroxy-benzophenone, BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-, NSC38556, 2,2'4,4'-Tetrahydroxybenzophenone, BRN 1914746, SBB003178, ZINC00039103, LS-38951, 4-08-00-03505 (Beilstein Handbook Reference)

Molecular Formula:	C₁₃H₁₀O₅	Molecular Weight:	246.215500 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: WXNRYSGJLQFHBR-UHFFFAOYSA-N

• Benzyl 2-naphthyl ether

IUPAC Name: 2-(phenylmethoxy)naphthalene | CAS Registry Number: 613-62-7
Synonyms: 2-phenylmethoxy-naphthalene, Naphthalene, 2-(phenylmethoxy)-, ZINC00968696, AI3-00945, ST5407267, TL8003890, AE-641/04259009

Molecular Formula:	C₁₇H₁₄O	Molecular Weight:	234.292460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WLTCCDHHWYAMCG-UHFFFAOYSA-N

• Bis (2-Chloroethyl) Amine Hcl

IUPAC Name: 2-chloro-N-(2-chloroethyl)ethanamine hydrochloride | CAS Registry Number: 821-48-7
Synonyms: nor-Lost hydrochlorid, Nor-HN2, Nor-HN2 hydrochloride, LEO 72a, B38503_ALDRICH, WLN: G2M2G &GH, Bis(2-chloroethyl)amine hydrochloride, Nornitrogen mustard hydrochloride, 2,2'-Dichlorodiethylamine hydrochloride, Nor-nitrogen mustard hydrochloride, NC 26, Di-2-chloroethylamine hydrochloride, Bis(2-chloroethyl)ammonium chloride, NSC10873, BIS(beta-CHLOROETHYL)AMINE HCL, CID522769, NSC 10873, SK 555, TL 161, Bis(.beta.-chloroethyl)amine hydrochloride

Molecular Formula:	C₄H₁₀Cl₃N	Molecular Weight:	178.487900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: YMDZDFSUDFLGMX-UHFFFAOYSA-N

• Boc-4-Nitro-L-phenylalanine

IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid | CAS Registry Number: 33305-77-0
Synonyms: Phenylalanine, N-BOC-4-nitro-, EINECS 251-450-1, ST5411678, N-(tert-Butoxycarbonyl)-4-nitrophenylalanine, Phenylalanine, N-t-bbutoxycarbonyl-4-nitro-, N-(tert-Butoxycarbonyl)-4-nitro-3-phenyl-L-alanine, 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid

Molecular Formula:	C₁₄H₁₈N₂O₆	Molecular Weight:	310.302520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: XBQADBXCNQPHHY-UHFFFAOYSA-N

• Bromochlorophene

IUPAC Name: 2-bromo-6-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenol | CAS Registry Number: 15435-29-7
Synonyms: Bromchlorophene, Bromochlorophen, Brophen, Bromochlorofen [Polish], Oprea1_679083, EINECS 239-446-8, CID84907, BRN 2293981, ZINC02526196, 2,2'-Methylenebis(6-bromo-4-chlorophenol), Phenol, 2,2'-methylenebis(6-bromo-4-chloro-, LS-104845, 6,6'-Dibrom-4,4'-dichlor-2,2'-methylendiphenol, Phenol, 2,2'-methylenebis[6-bromo-4-chloro-, 3,3-Dibromo-5,5-dichloro-2,2-dihydroxy-diphenylmethane, 3,3-Dibromo-5,5-dichloro-2,2-dihydroxydiphenylmethane, 3-06-00-05408 (Beilstein Handbook Reference), 3,3'-Dibromo-5,5'-dichloro-2,2'-dihydroxydiphenylmethane, 3,3'-Dwubromo-5,5'-dwuchloro-2,2'-dwuhydroksy-dwufenylo-metan [Polish]

Molecular Formula:	C₁₃H₈Br₂Cl₂O₂	Molecular Weight:	426.915420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: TYBHZVUFOINFDV-UHFFFAOYSA-N

• Butanoic acid, 3-(acetyloxy)-4-bromo-, (3S)-

IUPAC Name: 3-acetyloxy-4-bromobutanoic acid | CAS Registry Number: 191354-44-6
Synonyms: (S)-3-ACETOXY-4-BROMOBUTYRIC ACID, AGN-PC-01X6YP, 3-acetyloxy-4-bromobutanoic acid

Molecular Formula:	C₆H₉BrO₄	Molecular Weight:	225.037260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: RYWNWBFHMUEPNO-UHFFFAOYSA-N

• Butyryl Chloride

IUPAC Name: butanoyl chloride | CAS Registry Number: 141-75-3
Synonyms: Butyryl chloride, Butanoyl chloride, Butyric chloride, Butyroyl chloride, Butyric acid chloride, N-BUTYRYL CHLORIDE, CCRIS 5989, HSDB 6016, 109614_ALDRICH, 236349_ALDRICH, 19310_FLUKA, EINECS 205-498-5, UN2353, LS-830, ZINC02040974, NCGC00091749-01, ST5214053, Butyryl chloride [UN2353] [Flammable liquid], Butyryl chloride [UN2353] [Flammable liquid], InChI=1/C4H7ClO/c1-2-3-4(5)6/h2-3H2,1H

Molecular Formula:	C₄H₇ClO	Molecular Weight:	106.550780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DVECBJCOGJRVPX-UHFFFAOYSA-N

• Chloro-Xylenols

IUPAC Name: 4-chloro-3,5-dimethylphenol | CAS Registry Number: 88-04-0
Synonyms: chloroxylenol, Benzytol, Ottasept, Espadol, Desson, Dettol, Ottasept Extra, Husept Extra, Willenol V, Chlorxylenolum, Chloro-xylenol, 4-Chloro-3,5-dimethylphenol, p-Chloro-m-xylenol, 4-Chloro-m-xylenol, Nipacide MX, PCMX, Septiderm-Hydrochloride, Chloroxylenol(USAN, p-Chloro-3,5-xylenol, 2-Chloro-m-xylenol

Molecular Formula:	C₈H₉ClO	Molecular Weight:	156.609460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: OSDLLIBGSJNGJE-UHFFFAOYSA-N

• Chloromethyl Pivalate

IUPAC Name: chloromethyl 2,2-dimethylpropanoate | CAS Registry Number: 18997-19-8
Synonyms: Chloromethyl pivalate, POM-Cl, Pivaloyloxymethyl chloride, 141186_ALDRICH, TPC-I029, CID87885, EINECS 242-735-1, ZINC02242620, Propanoic acid, 2,2-dimethyl-, chloromethyl ester, TL8001550

Molecular Formula:	C₆H₁₁ClO₂	Molecular Weight:	150.603340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GGRHYQCXXYLUTL-UHFFFAOYSA-N

• Chloropyrimidines

IUPAC Name: 2-chloropyrimidine | CAS Registry Number: 1722-12-9
Synonyms: 2-Chloropyrimidine, PYRIMIDINE, 2-CHLORO-, 2-Chloro-4-deoxyuracil, 193291_ALDRICH, AIDS023071, BB_SC-2990, AIDS-023071, NSC43544, EINECS 217-020-2, NSC 43544, ZINC01676249, TL806422, InChI=1/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3

Molecular Formula:	C₄H₃ClN₂	Molecular Weight:	114.533020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: UNCQVRBWJWWJBF-UHFFFAOYSA-N

• Cis Tosylate

IUPAC Name: [(4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate | CAS Registry Number: 134071-44-6
Synonyms: FT-0666611, cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-yl methyl)-

Molecular Formula:	C₂₁H₂₀Cl₂N₂O₅S	Molecular Weight:	483.364900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: WAXNIYHZFWRPGS-OQHSHRKDSA-N

• cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-ylmethyl methanesulfonate

IUPAC Name: [(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate | CAS Registry Number: 61397-61-3
Synonyms: EINECS 262-768-5, MolPort-000-150-112, ZINC15042480, CID6454185, cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-ylmethyl methanesulphonate

Molecular Formula:	C₁₅H₁₆Cl₂N₂O₅S	Molecular Weight:	407.268940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: RSLKNHRJTOZPGF-SWLSCSKDSA-N

• Cyano Acetamide

IUPAC Name: 2-cyanoacetamide | CAS Registry Number: 107-91-5
Synonyms: Cyanacetamide, 2-Cyanoacetamide, Malonamonitrile, Nitrilomalonamide, Acetamide, 2-cyano-, CYANOACETAMIDE, Malonamide nitrile, Kyanacetamid, Cyanoiminoacetic acid, Propionamide nitrile, 3-Nitrilo-propionamide, Kyanacetamid (czech), alpha-Cyanoacetamide, Propionamide, 3-nitrilo-, .alpha.-Cyanoacetamide, USAF KF-14, Amid kyseliny kyanoctove, WLN: ZV1CN, Amid kyseliny kyanoctove (czech), HSDB 2817

Molecular Formula:	C₃H₄N₂O	Molecular Weight:	84.076660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DGJMPUGMZIKDRO-UHFFFAOYSA-N

• D-(-)P-Hydroxy Phenyl Glycine

IUPAC Name: (2R)-2-amino-2-(4-hydroxyphenyl)acetic acid | CAS Registry Number: 22818-40-2
Synonyms: OXFENICINE, 4-Hydroxyphenylglycine, D-4-Hydroxyphenylglycine, 4-Hydroxy-D-phenylglycine, D-N-(4-Hydroxyphenyl)glycine, 215333_ALDRICH, CHEBI:15695, CID89853, EINECS 245-247-7, (2R)-amino(4-hydroxyphenyl)acetic acid, (R)-alpha-Amino-4-hydroxybenzeneacetic acid, ST5406520, C03493, Benzeneacetic acid, alpha-amino-4-hydroxy-, (alphaR)-

Molecular Formula:	C₈H₉NO₃	Molecular Weight:	167.161960 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: LJCWONGJFPCTTL-SSDOTTSWSA-N

• D-3-(1-naphthyl)alanine

IUPAC Name: (2S)-2-amino-3-naphthalen-1-ylpropanoic acid | CAS Registry Number: 55516-54-6
Synonyms: L-1-Naphthylalanine, 3-(1-Naphthyl)-L-alanine, N1521_SIGMA, AL101-1, ST5307256, TL8003623, (S)-alpha-Amino-1-naphthalenepropanoic acid

Molecular Formula:	C₁₃H₁₃NO₂	Molecular Weight:	215.247820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: OFYAYGJCPXRNBL-LBPRGKRZSA-N

• D-tert-Leucine

IUPAC Name: (2R)-2-amino-3,3-dimethylbutanoic acid | CAS Registry Number: 26782-71-8
Synonyms: d-t-leucine, h-tbu-d-gly-oh, (r)-tert-leucine, h-d-tle-oh, (R)-2-Amino-3,3-dimethylbutyric acid, D-alpha-tert-Butylglycine, (2R)-2-amino-3,3-dimethylbutanoic acid, D-t-Butylglycine, D-TLE-OH, H-D-TERT-LEU-OH, (r)-2-amino-3,3-dimethylbutanoic acid, D-2-TERT-BUTYLGLYCINE, D-ALPHA-TERT-BUTYL-GLY-OH, D-2-AMINO-3,3-DIMETHYLBUTANOIC ACID, h-d-(tbu)gly-oh, AmbotzHAA1514, PubChem15620, AC1OCTF8, AC1Q1LIQ, 269115_ALDRICH

Molecular Formula:	C₆H₁₃NO₂	Molecular Weight:	131.172920 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NPDBDJFLKKQMCM-BYPYZUCNSA-N

• Demoxepam

IUPAC Name: 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one | CAS Registry Number: 963-39-3
Synonyms: Demossepam, Demoxepamum, Chlordiazepoxide lactam, Demossepam [DCIT], Ro 5-2092 lactam, Demoxepamum [INN-Latin], Demoxepam (USAN/INN), Demoxepam [USAN:INN], ChemDiv1_028594, C15H11ClN2O2, MLS001209924, Bio-0752, Ro 5-2092, NSC46077, EINECS 213-515-2, MolPort-000-730-605, MolPort-001-729-112, NSC 46077, NSC-46077, NSC169898

Molecular Formula:	C₁₅H₁₁ClN₂O₂	Molecular Weight:	286.713040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PSADRZMLSXCSAS-UHFFFAOYSA-N

• Dichlorophene

IUPAC Name: 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol | CAS Registry Number: 97-23-4
Synonyms: Dichlorophen, dichlorophene, Dichlorofen, Dichlorphen, Teniathane, Vermithana, Anthiphen, Didroxane, Prevental, Taeniatol, Antiphen, Cordocel, Dicestal, Didroxan, Difentan, Embephen, Teniatol, Teniotol, Antifen, Halenol

Molecular Formula:	C₁₃H₁₀Cl₂O₂	Molecular Weight:	269.123300 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: MDNWOSOZYLHTCG-UHFFFAOYSA-N

• Diethyl Methylmalonate

IUPAC Name: diethyl 2-methylpropanedioate | CAS Registry Number: 609-08-5
Synonyms: Diethyl 2-methylmalonate, Ethyl methylmalonate, DIETHYL METHYLMALONATE, Methylmalonic acid diethyl ester, Ethyl methylmalonate (VAN), 126136_ALDRICH, Malonic acid, methyl-, diethyl ester, 67760_FLUKA, Propanedioic acid, methyl-, diethyl ester, Methylmalonic acid, diethyl ester, NSC8700, AIDS017711, AIDS-017711, DIETHYL METHYLMALONATE, TECH, NSC 8700, EINECS 210-175-7, ZINC01648185, Malonic acid, methyl-, diethyl ester (8CI), M-4140, InChI=1/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H

Molecular Formula:	C₈H₁₄O₄	Molecular Weight:	174.194360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: UPQZOUHVTJNGFK-UHFFFAOYSA-N

• Dimethoxycyclohexane

IUPAC Name: 1,1-dimethoxycyclohexane | CAS Registry Number: 933-40-4
Synonyms: Cyclohexane, 1,1-dimethoxy-, Cyclohexanone, dimethyl acetal, 1,1-DIMETHOXYCYCLOHEXANE, Cyclohexanone dimethyl ketal, 458597_ALDRICH, CID13616, SBB008403, FR-1369, InChI=1/C8H16O2/c1-9-8(10-2)6-4-3-5-7-8/h3-7H2,1-2H

Molecular Formula:	C₈H₁₆O₂	Molecular Weight:	144.211440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XPIJMQVLTXAGME-UHFFFAOYSA-N

• Dimethyl 5-Aminoisophthalate

IUPAC Name: dimethyl 5-aminobenzene-1,3-dicarboxylate | CAS Registry Number: 99-27-4
Synonyms: Dimethyl 5-aminoisophthalate, 3,5-Dicarbomethoxyaniline, D142158_ALDRICH, ARONIS008420, AIDS020108, 5-Aminoisophthalic acid dimethyl ester, AIDS-020108, NSC34721, 5-Aminoisophthalic acid, dimethyl ester, EINECS 202-743-8, Isophthalic acid, 5-amino-, dimethyl ester, NSC 34721, ZINC00057151, FS000609, 1,3-Benzenedicarboxylic acid, 5-amino-, dimethyl ester, Dimethyl 5-aminobenzene-1,3-dicarboxylate, ST5319670, Isophthalic acid, 5-amino-, dimethyl ester (8CI), 50891-97-9

Molecular Formula:	C₁₀H₁₁NO₄	Molecular Weight:	209.198640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: DEKPYXUDJRABNK-UHFFFAOYSA-N

• Dimethyl aminoterephthalate

IUPAC Name: dimethyl 2-aminobenzene-1,4-dicarboxylate | CAS Registry Number: 5372-81-6
Synonyms: Dimethyl 2-aminoterephthalate, Dimethyl 3-aminoterephthalate, MLS000039796, Aminoterephthalic acid dimethyl ester, 205370_ALDRICH, EINECS 226-364-2, NSC 20561, Terephthalic acid, amino-, dimethyl ester, NSC20561, 2-Aminoterephthalic acid, dimethyl ester, SBB000481, ZINC00119878, dimethyl 2-aminobenzene-1,4-dicarboxylate, 1,4-Benzenedicarboxylic acid, 2-amino-, dimethyl ester, SMR000035342, 3-Amino-4-methoxycarbonylbenzoic acid, methyl ester, LS-184946, InChI=1/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H

Molecular Formula:	C₁₀H₁₁NO₄	Molecular Weight:	209.198640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: DSSKDXUDARIMTR-UHFFFAOYSA-N

• Dimethyl Carbamoyl Chloride

IUPAC Name: N,N-dimethylcarbamoyl chloride | CAS Registry Number: 79-44-7
Synonyms: Dimethylcarbamyl chloride, Dimethylcarbamic chloride, Carbamic chloride, dimethyl-, DMCC, Dimethylchloroformamide, Carbamoyl chloride, dimethyl-, Dimethylcarbamoylchloride, DIMETHYLCARBAMOYL CHLORIDE, Dimethylcarbamidoyl chloride, Dimethyl carbamoyl chloride, Dimethylcarbamic acid chloride, RCRA waste no. U097, N,N-Dimethylcarbamyl chloride, RCRA waste number U097, Chloroformic acid dimethylamide, N,N-Dimethylcarbamoyl chloride, Dimethyl carbamyl chloride, (Dimethylamino)carbonyl chloride, CCRIS 257, N,N-Dimethylcarbamidoyl chloride

Molecular Formula:	C₃H₆ClNO	Molecular Weight:	107.538840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: YIIMEMSDCNDGTB-UHFFFAOYSA-N

• Dithiocyanatomethane

IUPAC Name: thiocyanatomethyl thiocyanate | CAS Registry Number: 6317-18-6
Synonyms: Proxel MB, Methylenedirhodanide, Methane, dithiocyanato-, Methylene dithiocyanate, Methylene bis(thiocyanate), Methylendirhodanid, Nalfloc N 206, Methylenedirhodanid, Caswell No. 565, Methylenebis(thiocyanate), METHYLENE THIOCYANATE, Thiocyanic acid, methylene ester, Nalco D-1994, Methylendirhodanid [Czech], WLN: NCS1SCN, Methylendithiokyanat [Czech], Methylenedirhodanid [German], CCRIS 636, HSDB 4497, 105090_ALDRICH

Molecular Formula:	C₃H₂N₂S₂	Molecular Weight:	130.191380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JWZXKXIUSSIAMR-UHFFFAOYSA-N

• Ethyl (R)-(+)-4-Chloro-3-hydroxybutanoate

IUPAC Name: ethyl (3R)-4-chloro-3-hydroxybutanoate | CAS Registry Number: 90866-33-4
Synonyms: 460516_ALDRICH, ZINC02558233, Ethyl (R)-()-4-chloro-3-hydroxybutyrate, TL8005828, (R)-(+)-Ethyl-4-chloro-3-hydroxybutyrate

Molecular Formula:	C₆H₁₁ClO₃	Molecular Weight:	166.602740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZAJNMXDBJKCCAT-RXMQYKEDSA-N

• Ethyl (R)-4-Cyano-3-Hydroxybutanoate

IUPAC Name: ethyl (3R)-4-cyano-3-hydroxybutanoate | CAS Registry Number: 141942-85-0
Synonyms: 479772_ALDRICH, ZINC02562594, ZINC02567777, CID2733879, TL8006150, (R)-4-Cyano-3-hydroxybutyric acid ethyl ester, (R)-(−)-Ethyl 4-cyano-3-hydroxybutyrate, Ethyl (R)-(−)-4-cyano-3-hydroxybutyrate

Molecular Formula:	C₇H₁₁NO₃	Molecular Weight:	157.167140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: LOQFROBMBSKWQY-ZCFIWIBFSA-N

• Ethyl (S)-(-)-4-Chloro-3-hydroxybutanoate

IUPAC Name: ethyl (3S)-4-chloro-3-hydroxybutanoate | CAS Registry Number: 86728-85-0
Synonyms: 460524_ALDRICH, 94893_FLUKA, ZINC02558232, (−)-Ethyl (S)-4-chloro-3-hydroxybutyrate

Molecular Formula:	C₆H₁₁ClO₃	Molecular Weight:	166.602740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZAJNMXDBJKCCAT-YFKPBYRVSA-N

• Ethyl 4-Chloro Acetoacetate

IUPAC Name: ethyl 4-chloro-3-oxobutanoate | CAS Registry Number: 638-07-3
Synonyms: Ethyl 4-chloroacetoacetate, Ethyl gamma-chloroacetoacetate, Ethyl 4-chloro-3-oxobutanoate, CCRIS 6791, ghl.PD_Mitscher_leg0.842, 180769_ALDRICH, 22813_FLUKA, EINECS 211-317-0, Butanoic acid, 4-chloro-3-oxo-, ethyl ester, BRN 1761275, ZINC01845882, Acetoacetic acid, 4-chloro-, ethyl ester, LS-13047, ST5214458, TL8004494, 4-03-00-01550 (Beilstein Handbook Reference)

Molecular Formula:	C₆H₉ClO₃	Molecular Weight:	164.586860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: OHLRLMWUFVDREV-UHFFFAOYSA-N

• Ethyl thiooxamate

IUPAC Name: ethyl 2-amino-2-sulfanylideneacetate | CAS Registry Number: 16982-21-1
Synonyms: Ethyl aminothioxoacetate, 330280_ALDRICH, NSC174676, ZINC01711592

Molecular Formula:	C₄H₇NO₂S	Molecular Weight:	133.168880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YMBMCMOZIGSBOA-UHFFFAOYSA-N

• Ethyl(S)-3-Hydroxybutyrate

IUPAC Name: ethyl 3-hydroxybutanoate | CAS Registry Number: 56816-01-4
Synonyms: Ethyl 3-hydroxybutyrate, Ethyl 3-hydroxybutanoate, Ethyl beta-hydroxybutyrate, Ethyl (1)-3-hydroxybutyrate, Ethyl dl-3-hydroxybutyrate, FEMA No. 3428, Butyric acid, 3-hydroxy-, ethyl ester, Butanoic acid, 3-hydroxy-, ethyl ester, E30603_ALDRICH, Ethyl (S)-3-hydroxybutyrate, W342807_ALDRICH, Ethyl 3-hydroxybutyrate (natural), NSC 8115, 54950_FLUKA, EINECS 226-456-2, EINECS 252-642-8, NSC8115, NSC 42916, NSC42916, EINECS 260-393-1

Molecular Formula:	C₆H₁₂O₃	Molecular Weight:	132.157680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: OMSUIQOIVADKIM-UHFFFAOYSA-N

• Ethyl-(S)-4-Iodo-3-Hydroxybutanoate

IUPAC Name: ethyl (3S)-3-hydroxy-4-iodobutanoate | CAS Registry Number: 112100-39-7
Synonyms: (S)-Ethyl 3-hydroxy-4-iodobutanoate, SCHEMBL2168521, MolPort-035-691-046, SMWBHOKQXGBYJN-YFKPBYRVSA-N, Ethyl 3(S)-hydroxy-4-iodobutyrate, ethyl (S)-4-iodo-3-hydroxybutyrate, AKOS024463439, ethyl (S) -4-iodo-3-hydroxybutyrate, AJ-41463, AK160560, ST24036289, (S)-3-hydroxy-4-iodobutanoic acid ethyl ester

Molecular Formula:	C₆H₁₁IO₃	Molecular Weight:	258.054210 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SMWBHOKQXGBYJN-YFKPBYRVSA-N

• Formyl-L-phenylalanine

IUPAC Name: 2-formamido-3-phenylpropanoic acid | CAS Registry Number: 13200-85-6
Synonyms: N-Formylphenylalanine, N-Formyl-D-phenylalanine, N-Formyl-L-phenylalanine, N-Formyl-dl-phenylalanine, ChemDiv3_000183, L-Phenylalanine, N-formyl-, Oprea1_613023, CBDivE_003101, DL-Phenylalanine, N-formyl-, MLS000530164, N-Formyl-3-phenyl-L-alanine, F3889_SIGMA, EINECS 236-166-8, CID100122, NSC334342, IDI1_019501, NCGC00177598-01, SMR000135141, ST5410522

Molecular Formula:	C₁₀H₁₁NO₃	Molecular Weight:	193.199240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NSTPXGARCQOSAU-UHFFFAOYSA-N

• Heptanoyl Chloride

IUPAC Name: heptanoyl chloride | CAS Registry Number: 2528-61-2
Synonyms: HEPTANOYL CHLORIDE, Enanthic chloride, Oenanthic chloride, n-Heptanoyl chloride, 147249_ALDRICH, 75210_FLUKA, CID17313, EINECS 219-775-3, ZINC02036078

Molecular Formula:	C₇H₁₃ClO	Molecular Weight:	148.630520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: UCVODTZQZHMTPN-UHFFFAOYSA-N

• Homo Veratrylamine

IUPAC Name: 2-(3,4-dimethoxyphenyl)ethanamine | CAS Registry Number: 120-20-7
Synonyms: Homoveratrylamine, Dimethoxydopamine, Dimethylmescaline, DIMPEA, DMPEA, Dimethoxyphenylethylamine, 3,4-Dimethoxydopamine, Dopamine dimethyl ether, O,O-Dimethyldopamine, 3,4-Dimethoxyphenethylamine, DMPE, 3,4-Dimethoxyphenylethylamine, 3,4-Di-O-methyldopamine, Benzeneethanamine, 3,4-dimethoxy-, 3,4-Dimethoxybenzeneethanamine, 2-(3,4-Dimethoxyphenyl)ethylamine, NCIOpen2_005995, Oprea1_397610, PHENETHYLAMINE, 3,4-DIMETHOXY-, MLS000515889

Molecular Formula:	C₁₀H₁₅NO₂	Molecular Weight:	181.231600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ANOUKFYBOAKOIR-UHFFFAOYSA-N

• Hydrazo Benzene

IUPAC Name: 1,2-di(phenyl)hydrazine | CAS Registry Number: 122-66-7
Synonyms: Hydrazobenzene, Hydrazobenzen, N,N'-Bianiline, hydrazodibenzene, Benzene, hydrazodi-, N,N'-Diphenylhydrazine, 1,2-DIPHENYLHYDRAZINE, Hydrazine, 1,2-diphenyl-, Hydrazobenzen [Czech], (sym)-Diphenylhydrazine, 1,1'-Hydrazodibenzene, 1,2-Diphenyldrazine, Hydrazine, diphenyl-, DIPHENYLHYDRAZINE, Benzene, 1,1'-hydrazobis-, RCRA waste no. U109, RCRA waste number U109, WLN: RMMR, Diphenylhydrazine, 1,2-, sym-DIPHENYLHYDRAZINE

Molecular Formula:	C₁₂H₁₂N₂	Molecular Weight:	184.237080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YBQZXXMEJHZYMB-UHFFFAOYSA-N

• Indole-2-Carboxylic Acid

IUPAC Name: 1H-indole-2-carboxylic acid | CAS Registry Number: 1477-50-5
Synonyms: 2-Carboxyindole, Indole-2-carboxylic acid, 2-Indolecarboxylic acid, 1H-Indole-2-carboxylic acid, Spectrum_001485, SpecPlus_000676, Spectrum2_000021, Spectrum3_000943, Spectrum4_001042, Spectrum5_001735, I5109_ALDRICH, Oprea1_557882, KBioGR_001304, KBioSS_001965, DivK1c_006772, SPECTRUM1502082, SPBio_000081, INDOLE-2-CARBOXLIC ACID, EINECS 216-030-4, KBio1_001716

Molecular Formula:	C₉H₇NO₂	Molecular Weight:	161.157380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: HCUARRIEZVDMPT-UHFFFAOYSA-N

• Indole-3-Carbinol

IUPAC Name: 1H-indol-3-ylmethanol | CAS Registry Number: 700-06-1
Synonyms: Indole-3-carbinol, 3-Indolylcarbinol, 3-Hydroxymethylindole, Indinol, INDOLE-3-METHANOL, 3-Indolemethanol, I3C cpd, 1H-indol-3-ylmethanol, 1H-Indole-3-methanol, Spectrum2_001710, Spectrum3_001973, C9H9NO, CCRIS 3261, BSPBio_003573, MLS001333161, MLS001333162, I7256_SIGMA, SPECTRUM1505320, SPBio_001700, Prevention 4 (indole-3-carbinol)

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

InChIKey: IVYPNXXAYMYVSP-UHFFFAOYSA-N

• Indole-3-Carboxylic Acid

IUPAC Name: 1H-indole-3-carboxylic acid | CAS Registry Number: 771-50-6
Synonyms: Indole-3-carboxylic acid, 1H-Indole-3-carboxylic acid, Oprea1_560034, CHEBI:24809, 284734_ALDRICH, EINECS 212-231-6, ALBB-007628, CID69867, SBB003952, SDCCGMLS-0065969.P001, LS-81440, TL806406, I-2320, InChI=1/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12, ICO

Molecular Formula:	C₉H₇NO₂	Molecular Weight:	161.157380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: KMAKOBLIOCQGJP-UHFFFAOYSA-N