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• á Bromo-Phenyl Acetic Acid Methyl Ester
IUPAC Name: methyl (2S)-2-bromo-2-phenylacetate | CAS Registry Number: 3042-81-7
Synonyms: ZINC01764705, InChI=1/C9H9BrO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,1H

Molecular Formula: C9H9BrO2Molecular Weight: 229.070560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NHFBYYMNJUMVOT-QMMMGPOBSA-N

• a,2',6'-Dimethylacetanilide
IUPAC Name: N-(2,6-dimethylphenyl)acetamide | CAS Registry Number: 2198-53-0
Synonyms: 2',6'-ACETOXYLIDIDE, 2,6-Dimethylacetanilide, 2',6'-Dimethylacetanilide, N-Acetyl-2,6-dimethylaniline, N-(2,6-Dimethylphenyl)acetamide, Acetanilide, 2',6'-dimethyl-, Acetamide, N-(2,6-dimethylphenyl)-, N-Acetoxy-2,6-dimethylaniline, WLN: 1VMR B1 F1, 126357_ALDRICH, NSC54130, EINECS 218-596-8, NSC 54130, CID16616, BRN 2208750, SBB008144, ZINC00388169, FR-0951, LS-13864, 4-12-00-02524 (Beilstein Handbook Reference)

Molecular Formula: C10H13NOMolecular Weight: 163.216320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NRPTXWYBRKRZES-UHFFFAOYSA-N

• 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: C8H8Cl2Molecular Weight: 175.055120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FMGGHNGKHRCJLL-UHFFFAOYSA-N

• A-(P-Toluenesulfonyl)-4-Fluorobenzylisonitrile
IUPAC Name: 1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene | CAS Registry Number: 165806-95-1
Synonyms: CID10827289, CID 10827289, S-1012, alpha-(p-Toluenesulfonyl)-4-fluorobenzylisonitrile

Molecular Formula: C15H12FNO2SMolecular Weight: 289.324683 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UXCQPEDHCCJBNL-UHFFFAOYSA-N

• a-Bromo-4-chlorophenylacetic acid
IUPAC Name: 2-bromo-2-(4-chlorophenyl)acetic acid | CAS Registry Number: 3381-73-5
Synonyms: alpha-Bromo-4-chlorophenylacetic acid, 2-bromo-2-(4-chlorophenyl)acetic Acid, ACMC-1CT0U, 638676_ALDRICH, CTK4H1280, MolPort-003-938-054, |A-Bromo-4-chlorophenylacetic acid, ANW-27708, AKOS015890587, AG-F-14334, Benzeneacetic acid, |A-bromo-4-chloro-, AK-88101, KB-228631, B3367, FT-0696046, Y6551, A22020, I01-7429, Bromo(4-chlorophenyl)acetic acid;A'A|AfA-bromo-4-chlorophenylacetic acid;

Molecular Formula: C8H6BrClO2Molecular Weight: 249.489040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KKOAAWLOOHBFQP-UHFFFAOYSA-N

• a-Bromo-p-Xylene
IUPAC Name: 1-(bromomethyl)-4-methylbenzene | CAS Registry Number: 104-81-4
Synonyms: P-XYLYL BROMIDE, 4-Methylbenzyl bromide, p-Methylbenzyl bromide, alpha-Bromo-p-xylol, alpha-Bromo-p-xylene, 4-(Bromomethyl)toluene, p-Xylyl alpha-bromide, p-Xylyl-alpha-bromide, p-(Bromomethyl)toluene, p-Xylene, alpha-bromo-, p-Xylene, .alpha.-bromo-, .alpha.-Bromo-p-xylol, .alpha.-Bromo-p-xylene, .omega.-Bromo-p-xylene, Benzene, 1-(bromomethyl)-4-methyl-, 1-(Bromomethyl)-4-methylbenzene, p-Xylyl-.alpha.-bromide, B83606_ALDRICH, HSDB 2193, NSC 8050

Molecular Formula: C8H9BrMolecular Weight: 185.061060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WZRKSPFYXUXINF-UHFFFAOYSA-N

• A-Cyano-(3,4-dihydroxy)-N-benzylcinnamide
IUPAC Name: (Z)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide | CAS Registry Number: 134036-52-5
Synonyms: AC1NS47P, 2-Cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide, CHEMBL1257042, ABP000823, ZINC12352668, AKOS005146338, BRD-K12357156-001-01-5, (Z)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide

Molecular Formula: C17H14N2O3Molecular Weight: 294.304660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: TUCIOBMMDDOEMM-ZSOIEALJSA-N

• a-Cyclodextrin
Synonyms: alpha-CYCLODEXTRIN, Cyclohexaamylose, Cyclomaltohexaose, Alfadex, Cyclomaltohexose, alpha-Dextrin, Cyclohexapentylose, alpha-CD, alpha-Cycloamylose, Alfadex [INN], .alpha.-Cyclodextrin, Dextrin, alpha-cyclo, alpha-Schardinger dextrin, Alfadexum [INN-Latin], Cyclohexaamylose carbonate, MLS001074882, C4642_SIGMA, C4680_SIGMA, 28705_FLUKA, CHEBI:40585

Molecular Formula: C36H60O30Molecular Weight: 972.843600 [g/mol]
H-Bond Donor: 18H-Bond Acceptor: 30

InChIKey: HFHDHCJBZVLPGP-RWMJIURBSA-N

• a-Ketoglutaric Acid
IUPAC Name: 2-oxopentanedioic acid | CAS Registry Number: 328-50-7
Synonyms: 2-Oxopentanedioic acid, alpha-ketoglutaric acid, 2-oxoglutaric acid, 2-ketoglutaric acid, 2-oxoglutarate, 2-ketoglutarate, Oxoglutaric acid, alpha-ketoglutarate, ketoglutarate, Alphaketoglutaric acid, 2-oxopentanedionate, alpha-oxoglutarate, alpha-Oxoglutaric acid, alpha Ketoglutarate, Glutaric acid, alpha keto, 2-Oxo-Glutaric Acid, nchembio816-comp3, nchembio856-comp1, Glutaric acid, 2-oxo-, nchembio.145-comp9

Molecular Formula: C5H6O5Molecular Weight: 146.098140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: KPGXRSRHYNQIFN-UHFFFAOYSA-N

• A-Methylnaphthalene
IUPAC Name: 1-methylnaphthalene | CAS Registry Number: 90-12-0
Synonyms: 1-METHYLNAPHTHALENE, alpha-Methylnaphthalene, Naphthalene, 1-methyl-, Methyl naphthalene, Polymethylnaphthalene, .alpha.-Methylnaphthalene, 1-Methyl naphthalene, Naphthalene, methyl-, alpha-methyl naphthalenes, FEMA Number 3193, Naphthalene, alpha-methyl-, FEMA No. 3193, CCRIS 6151, M56808_ALDRICH, HSDB 5268, W319309_ALDRICH, 442430_SUPELCO, 45795_RIEDEL, WLN: L66J B1, NSC 3574

Molecular Formula: C11H10Molecular Weight: 142.197100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QPUYECUOLPXSFR-UHFFFAOYSA-N

• Abietic Acid
IUPAC Name: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid | CAS Registry Number: 514-10-3
Synonyms: ABIETIC ACID, Abietate, Sylvic acid, l-Abietic acid, (-)-Abietic acid, Abietic acid, technical, Kyselina abietova [Czech], 7,13-Abietadien-18-oic acid, ABIETIC ACID, PRACT, Abieta-7,13-dien-18-oic acid, CCRIS 3183, A9424_SIGMA, NSC25149, 00010_FLUKA, CHEBI:28987, EINECS 208-178-3, NSC 25149, C20H30O2, 13-Isopropylpodocarpa-7,13-dien-15-oic acid, LMPR01040063

Molecular Formula: C20H30O2Molecular Weight: 302.451000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RSWGJHLUYNHPMX-ONCXSQPRSA-N

• ABTS
IUPAC Name: (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid | CAS Registry Number: 30931-67-0
Synonyms: 2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid, 2,2'-Azinodi-(3-ethylbenzothiazoline)-(6)-sulfonic acid, ammonium salt, 6-Benzothiazolesulfonic acid, 2,2'-azinobis(3-ethyl-2,3-dihydro-, diammonium salt, 28752-68-3

Molecular Formula: C18H18N4O6S4Molecular Weight: 514.618720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: ZTOJFFHGPLIVKC-YAFCTCPESA-N

• Ac-D-Phe-OH
IUPAC Name: (2R)-2-acetamido-3-phenylpropanoic acid | CAS Registry Number: 10172-89-1
Synonyms: N-Acetyl-D-phenylalanine, N-Acetyl-3-phenyl-D-alanine, A3876_SIGMA, ACETYL-DL-PHENYLALANINE, CHEBI:28203, EINECS 233-447-7, BTB 13557, C05620, 7782-51-6

Molecular Formula: C11H13NO3Molecular Weight: 207.225820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CBQJSKKFNMDLON-SNVBAGLBSA-N

• AC-GLU(OTBU)-OH
IUPAC Name: (2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid | CAS Registry Number: 84192-88-1
Synonyms: Ac-Glu(OtBu)-OH, CHEMBL1221837, CTK8E7035, AKOS015962900, AG-H-36250, AC-19209, FT-0686504, N-Acetyl-L-glutamic acid 5-tert-butyl ester;Ac-Glu(OtBu)-OH;(S)-2-Acetamido-5-tert-butoxy-5-oxopentanoic acid;

Molecular Formula: C11H19NO5Molecular Weight: 245.272260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FALCCLKESWGSNI-QMMMGPOBSA-N

• Ac-L-Lys-Oh
IUPAC Name: 2-acetamido-6-aminohexanoic acid | CAS Registry Number: 1946-82-3
Synonyms: N-Acetyl polylysine, N2-Acetyl-L-lysine, L-Lysine, N2-acetyl-, N.alpha.-Acetyllysine, N-.alpha.-Acetyllysine, N-Acetyl poly-L-lysine, Lysine, N2-acetyl-, L-, .alpha.-Acetyl-L-lysine, N.alpha.-Acetyl-L-lysine, N-.alpha.-Acetyl-L-lysine, 2-acetamido-6-aminohexanoic acid, 6-Amino-L-2-acetamidohexanoic acid, CID192590, NSC353625, ST5410851, 152473-69-3

Molecular Formula: C8H16N2O3Molecular Weight: 188.224240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: VEYYWZRYIYDQJM-UHFFFAOYSA-N

• acarbose
IUPAC Name: (2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol | CAS Registry Number: 56180-94-0
Synonyms: Precose, Precose (TN), Acarbose (JAN/USAN/INN), CHEBI:2376, CID441184, DB00284, C06802, D00216, (2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol, 4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucose

Molecular Formula: C25H43NO18Molecular Weight: 645.604820 [g/mol]
H-Bond Donor: 14H-Bond Acceptor: 19

InChIKey: XUFXOAAUWZOOIT-JMPDRRIHSA-N

• Accufluor NFTH-Al2o3 Blend
IUPAC Name: 4-fluoro-1-hydroxy-1,4-diazoniabicyclo[2.2.2]octane | CAS Registry Number: 162241-33-0
Synonyms: ZINC00388683, CID2737330

Molecular Formula: C6H13FN2O+2Molecular Weight: 148.178623 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CCHDNAOWTULYEX-UHFFFAOYSA-N

• Acebutolol Hcl
IUPAC Name: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide hydrochloride | CAS Registry Number: 34381-68-5
Synonyms: Acebutolol hydrochloride, Sectral, Prestwick_512, Sectral (TN), MLS000069553, MLS001076107, A3669_SIGMA, SPECTRUM1500665, CHEBI:2380, CID441307, Acebutolol hydrochloride (JP15/USP), NCGC00094830-01, NCGC00094830-02, NCGC00094830-03, NCGC00094830-04, SMR000058800, TL8002563, C07677, D00597, N-(3-Acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide

Molecular Formula: C18H29ClN2O4Molecular Weight: 372.886860 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: KTUFKADDDORSSI-UHFFFAOYSA-N

• Aceclofenac Bp98
IUPAC Name: 2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid | CAS Registry Number: 89796-99-6
Synonyms: Aceclofenac, Aceclofenac (TN), Aceclofenacum [Latin], Prestwick_772, Aceclofenaco [Spanish], Aceclofenac [BAN:INN], Aceclofenac (JAN/INN), Prestwick0_000175, Prestwick1_000175, Prestwick2_000175, Prestwick3_000175, BSPBio_000069, C16H13Cl2NO4, MLS001032069, MLS001304028, MLS002154226, SPBio_001990, BPBio1_000077, BB_SC-2095, CID71771

Molecular Formula: C16H13Cl2NO4Molecular Weight: 354.184720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MNIPYSSQXLZQLJ-UHFFFAOYSA-N

• Acemetacin
IUPAC Name: 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid | CAS Registry Number: 53164-05-9
Synonyms: acemetacin, Rantudil, Acemetacinum, Aximeixin, Rheumibis, Acemix, Rantodil, Emflex, Rantudil (TN), Prestwick_669, Spectrum_000428, Acemetacine [INN-French], Acemetacinum [INN-Latin], Acemetacin (JAN/INN), Acemetacina [INN-Spanish], Prestwick0_000296, Prestwick1_000296, Prestwick2_000296, Prestwick3_000296, Spectrum2_001162

Molecular Formula: C21H18ClNO6Molecular Weight: 415.823720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: FSQKKOOTNAMONP-UHFFFAOYSA-N

• Acenaphthene
IUPAC Name: 1,2-dihydroacenaphthylene | CAS Registry Number: 83-32-9
Synonyms: ACENAPHTHENE, Naphthyleneethylene, 1,2-Dihydroacenaphthylene, Ethylenenaphthalene, 1,8-Ethylenenaphthalene, peri-Ethylenenaphthalene, Acenaphthylene, 1,2-dihydro-, Acenaphthene solution, ACENAPHTHYLENE, 1,8-Dihydroacenaphthalene, A104_ALDRICH, CCRIS 5951, 48500U_SUPELCO, HSDB 2659, 40001_SUPELCO, 48643_SUPELCO, 215376_ALDRICH, NSC 7657, CHEBI:22154, EINECS 201-469-6

Molecular Formula: C12H10Molecular Weight: 154.207800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: CWRYPZZKDGJXCA-UHFFFAOYSA-N

• Acenaphthenequinone
IUPAC Name: acenaphthylene-1,2-dione | CAS Registry Number: 82-86-0
Synonyms: Acenaphthoquinone, Acenaphthenedione, Acenaphthaquinone, 1,2-Acenaphthenedione, Acenaphthylenequinone, 1,2-Acenaphthenequinone, 1,2-ACENAPHTHYLENEDIONE, 1,2-Diketoacenaphthene, Acenaphthylene-1,2-quinone, acenaphthene-1,2-dione, acenaphthylene-1,2-dione, A201_ALDRICH, CCRIS 5318, HSDB 2660, MLS000705880, NSC 7656, 00040_FLUKA, CHEBI:15342, EINECS 201-441-3, NSC7656

Molecular Formula: C12H6O2Molecular Weight: 182.174840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AFPRJLBZLPBTPZ-UHFFFAOYSA-N

• Acerola
IUPAC Name: [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol | CAS Registry Number: 4097-22-7
Synonyms: dideoxyadenosine, ddAdo, 2',3'-Dideoxyadenosine, ddA (Antiviral), ddA & GM-CSF, CCRIS 428, MLS001055366, D1285_SIGMA, NSC-98700, ADENOSINE, 2',3'-DIDEOXY-, EINECS 223-853-2, NSC 98700, AIDS000003, AIDS000887, C10H13N5O2, AIDS-000003, AIDS-000887, DRG-0039, NSC98700, BRN 0619924

Molecular Formula: C10H13N5O2Molecular Weight: 235.242520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: WVXRAFOPTSTNLL-NKWVEPMBSA-N

• Acetal
IUPAC Name: 1,1-diethoxyethane | CAS Registry Number: 105-57-7
Synonyms: Diethyl acetal, Diethylacetal, Acetol, polyacetal, Diaethylacetal, Acetaal, Acetaal [Dutch], Ethane, 1,1-diethoxy-, 1,1-DIETHOXYETHANE, Acetal (natural), Acetale [Italian], Acetal diethylique, Ethane, diethoxy-, Ethylidene diethyl ether, Acetaldehyde, diethyl acetal, Acetaldehyde diethyl acetal, Ethylidenediethyl ether, 1,1-Dietossietano, Diaethylacetal [German], Acetaldehyde ethyl acetal

Molecular Formula: C6H14O2Molecular Weight: 118.174160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DHKHKXVYLBGOIT-UHFFFAOYSA-N

• Acetaldehyde
IUPAC Name: acetaldehyde | CAS Registry Number: 75-07-0
Synonyms: acetaldehyde, ethanal, acetic aldehyde, ethyl aldehyde, Acetylaldehyde, aldehyde, Acetic ethanol, Acetaldehyd, acetaldehydes, ethaldehyde, Ethylaldehyde, Acetaldeyde, Aceteldehyde, Azetaldehyd, Aldeide acetica, Octowy aldehyd, Aldehyde acetique, Acetaldehyde (natural), Acetaldehyd [German], Acetaldehyde solution

Molecular Formula: C2H4OMolecular Weight: 44.052560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IKHGUXGNUITLKF-UHFFFAOYSA-N

• Acetaldehyde dihexylacetal
IUPAC Name: 1-(1-hexoxyethoxy)hexane | CAS Registry Number: 5405-58-3
Synonyms: Acetaldehyde, dihexyl acetal, 1,1-Di(hexyloxy)ethane, Ethylidenebis(oxy)dihexane, 1,1-BIS(HEXYLOXY)ETHANE, NSC5187, CID21503, NSC 5187, Acetaldehyde, dihexyl acetal (8CI), EINECS 226-458-3, ZINC01680757, ACETALDEHYDE DI-N-HEXYL ACETAL, Hexane, 1,1'-[ethylidenebis(oxy)]bis-, Hexane, 1,1'-(ethylidenebis(oxy))bis-, ST5411560

Molecular Formula: C14H30O2Molecular Weight: 230.386800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VSFOOCQEJQKBSO-UHFFFAOYSA-N

• Acetaldehyde Dimethyl Acetal
IUPAC Name: 1,1-dimethoxyethane | CAS Registry Number: 534-15-6
Synonyms: Dimethyl acetal, Dimethylacetal, Methyl formyl, Dimethoxyethane, Dimethyl aldehyde, Ethane, 1,1-dimethoxy-, 1,1-DIMETHOXYETHANE, Ethane, dimethoxy-, Acetaldehyde dimethyl acetal, Acetaldehyde, dimethyl acetal, Ethylidene dimethyl ether, Acetaldehyde methyl acetal, 3-Methyl-2,4-dioxapentane, FEMA No. 3426, HSDB 5427, W342602_ALDRICH, 385395_ALDRICH, 00120_FLUKA, EINECS 208-589-8, UN2377

Molecular Formula: C4H10O2Molecular Weight: 90.121000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SPEUIVXLLWOEMJ-UHFFFAOYSA-N

• Acetaldehyde Oxime
IUPAC Name: (NE)-N-ethylidenehydroxylamine | CAS Registry Number: 107-29-9
Synonyms: Acetaldoxime, Aldoxime, Ethanal oxime, Hydroiminoethane, Acetaldehyde, oxime, Ethylidenehydroxylamine, ACETALDEHYDE OXIME, (1E)-acetaldehyde oxime, (1E)-Ethanal oxime, (E)-acetaldehyde oxime, USAF AM-5, (E)-CH3CH=NOH, Acetaldoxime, syn + anti, A1002_ALDRICH, CCRIS 1379, HSDB 2662, acetaldehyde, oxime, (1E)-, 407763_ALDRICH, NSC 4974, CHEBI:28465

Molecular Formula: C2H5NOMolecular Weight: 59.067200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FZENGILVLUJGJX-NSCUHMNNSA-N

• Acetamide
IUPAC Name: acetamide | CAS Registry Number: 60-35-5
Synonyms: acetamide, Ethanamide, Acetic acid amide, Acetimidic acid, Methanecarboxamide, Ethanimidic acid, acetamid, Essigsaeureamid, Azetamid, Ethanamid, Amide C2, Caswell No. 003H, CCRIS 2, Acetimidic acid (VAN), CH3CONH2, Lopac-A-0500, acetamide, monosodium salt, Amid kyseliny octove [Czech], HSDB 4006, WLN: ZV1

Molecular Formula: C2H5NOMolecular Weight: 59.067200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DLFVBJFMPXGRIB-UHFFFAOYSA-N

• Acetamide MEA
IUPAC Name: N-(2-hydroxyethyl)acetamide | CAS Registry Number: 142-26-7
Synonyms: Acetylcolamine, N-Acetylethanolamine, N-Ethanolacetamide, 2-Acetamidoethanol, N-(2-Hydroxyethyl)acetamide, 2-Acetylaminoethanol, Hydroxyethyl acetamide, ACETYLETHANOLAMINE, N-Acetyl ethanolamine, N-Acetyl-2-aminoethanol, N-2-Hydroxyethylacetamide, Acetamide, N-(2-hydroxyethyl)-, beta-Hydroxyethylacetamide, .beta.-Hydroxyethylacetamide, N-beta-Hydroxyethylacetamide, WLN: Q2MV1, HSDB 2713, 100455_ALDRICH, NSC 5999, EINECS 205-530-8

Molecular Formula: C4H9NO2Molecular Weight: 103.119760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PVCJKHHOXFKFRP-UHFFFAOYSA-N

• Acetamide, 2-amino-N,N-dimethyl-
IUPAC Name: [2-(dimethylamino)-2-oxoethyl]azanium | CAS Registry Number: 1857-19-8
Synonyms: ZINC02561039, CID7020081

Molecular Formula: C4H11N2O+Molecular Weight: 103.142940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KNVRBEGQERGQRP-UHFFFAOYSA-O

• Acetamide, N-(4,5-Dichloro-2-aophenyl)
IUPAC Name: N-(4,5-dichloro-2-nitrophenyl)acetamide | CAS Registry Number: 5462-30-6
Synonyms: 641715_ALDRICH, NSC17009, ZINC04284690, 4',5'-Dichloro-2'-nitroacetanilide, N-(4,5-Dichloro-2-nitrophenyl)acetamide, ST5409368

Molecular Formula: C8H6Cl2N2O3Molecular Weight: 249.050840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZEGRPTYRAGSSBH-UHFFFAOYSA-N

• Acetamide, N-[2-[2-(phenylmethyl)-1h-Indol-3-Yl]ethyl]-
IUPAC Name: N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide | CAS Registry Number: 117946-91-5
Synonyms: luzindole, Tocris-0877, N-Acetyl-2-benzyltryptamine, 2-Benzyl-N-acetyltryptamine, L2407_SIGMA, CID122162, PDSP1_001788, PDSP2_001771, ZINC00003941, NCGC00024838-01, NCGC00024838-02, N 0774, N-0774, N-[2-[2-(Phenylmethyl)-1H-indol-3-yl]ethyl]acetamide, Acetamide, N-(2-(2-(phenylmethyl)-1H-indol-3-yl)ethyl)-

Molecular Formula: C19H20N2OMolecular Weight: 292.374900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: WVVXBPKOIZGVNS-UHFFFAOYSA-N

• Acetamidine Hydrochloride
IUPAC Name: ethanimidamide hydrochloride | CAS Registry Number: 124-42-5
Synonyms: Acetamidine hydrochloride, ACETAMIDINE HCl, Acetamidinium chloride, Acediamine hydrochloride, Ethanamidine hydrochloride, Acetamidine, hydrochloride, Ethenylamidine hydrochloride, Acetamidine monohydrochloride, 159158_ALDRICH, Ethanimidamide, monohydrochloride, AIDS018442, AIDS-018442, NSC 7595, EINECS 204-700-9, Acetamidine, monohydrochloride (8CI), SN 4455, TL 00559, alpha-Amino-alpha-iminoethane hydrochloride, AI3-52213, TL8000642

Molecular Formula: C2H7ClN2Molecular Weight: 94.543380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: WCQOBLXWLRDEQA-UHFFFAOYSA-N

• Acetaminophen
IUPAC Name: N-(4-hydroxyphenyl)acetamide | CAS Registry Number: 103-90-2
Synonyms: acetaminophen, Paracetamol, Tylenol, Datril, Acetaminofen, Algotropyl, Naprinol, 4-Acetamidophenol, Lonarid, Panadol, Acamol, Anelix, Multin, APAP, p-Acetamidophenol, p-Acetaminophenol, Paracetamolo, Abensanil, Acetagesic, Acetalgin

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N

• Acetanilide
IUPAC Name: N-phenylacetamide | CAS Registry Number: 103-84-4
Synonyms: acetanilide, N-Phenylacetamide, Antifebrin, Acetylaniline, Acetanilid, Acetanil, Acetamidobenzene, N-Acetylaniline, Acetoanilide, Phenalgene, Phenalgin, Acetylaminobenzene, Acetic acid anilide, Ethananilide, Acetamide, N-phenyl-, 2-Acetanilide, N-acetylarylamine, Aniline, N-acetyl-, Benzenamine, N-acetyl-, N-Acetylaminobenzene

Molecular Formula: C8H9NOMolecular Weight: 135.163160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FZERHIULMFGESH-UHFFFAOYSA-N

• Acetate
IUPAC Name: acetate | CAS Registry Number: 71-50-1
Synonyms: acetate, acetic acid, ethanoic acid, acet, Acetate Ion, Acetate ions, ethanoate, Ethanoat, Shotgun, Vinegar, Azetat, Ethylic acid, Vinegar acid, MeCO2 anion, Acetic acid glacial, Glacial acetic acid, Acetic acid, ion(1-), Methanecarboxylic acid, TCLP extraction fluid 2, CH3-COO(-)

Molecular Formula: C2H3O2-Molecular Weight: 59.044020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-M

• Acetate C-10
IUPAC Name: decyl acetate | CAS Registry Number: 112-17-4
Synonyms: n-Decyl acetate, Decanyl acetate, Decyl ethanoate, Capryl acetate, n-Decyl ethanoate, 1-Decanol acetate, 1-Decyl acetate, Acetic acid, decyl ester, Acetate C 10, DECYL ACETATE, Decyl alcohol, acetate, FEMA No. 2367, W236705_ALDRICH, Decyl alcohol, acetate (6CI), EINECS 203-942-2, CID8167, NSC 46131, NSC46131, LMFA05000260, AI3-11098

Molecular Formula: C12H24O2Molecular Weight: 200.317760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NUPSHWCALHZGOV-UHFFFAOYSA-N

• Acetazolamide
IUPAC Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide | CAS Registry Number: 59-66-5
Synonyms: acetazolamide, Diamox, Acetazolamid, Dehydratin, Natrionex, Nephramid, Nephramide, Acetamox, Diuramid, Diutazol, Duiramid, Eumicton, Phonurit, Cidamex, Diacarb, Diakarb, Diluran, Fonurit, Glaupax, Vetamox

Molecular Formula: C4H6N4O3S2Molecular Weight: 222.245440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BZKPWHYZMXOIDC-UHFFFAOYSA-N

• Acethylmethylene triphenylphosphorane
IUPAC Name: 1-tri(phenyl)phosphoranylidenepropan-2-one | CAS Registry Number: 1439-36-7
Synonyms: (Acetonylidenetriphenyl)phosphorane, Acetonyltriphenylphosphonium-, (Acetylmethylene)triphenylphosphine, WLN: 1V1UPR&R&R, (Acetylmethylene)triphenylphosphorane, (Triphenylacetylmethylene)phosphorane, 1-(Triphenylphosphoranylidene)acetone, Phosphonium, acetonyltriphenyl-, 158755_ALDRICH, 1-(Triphenylphosphoranyl)acetone, EINECS 215-878-2, 1-(Triphenylphosphoranylidene)-2-propanone, Triphenylphosphoranylidene-2-propanone, Acetylmethylene-triphenylphosphorane, AIDS155852, NSC 407394, NSC6741 (CHLORIDE SALT), 2-Propanone, (triphenylphosphoranylidene)-, Acetonyltriphenylphosphonium chloride, AIDS-155852

Molecular Formula: C21H19OPMolecular Weight: 318.348721 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KAANTNXREIRLCT-UHFFFAOYSA-N

• Acetic Acid
IUPAC Name: acetic acid | CAS Registry Number: 64-19-7
Synonyms: acetic acid, ethanoic acid, Acetasol, Glacial acetic acid, Ethylic acid, Vinegar acid, Essigsaeure, Acetic acid, glacial, Otic Tridesilon, Otic Domeboro, acetate, Aci-jel, Azijnzuur, Pyroligneous acid, Vinegar, ethoic acid, Acide acetique, Barium acetate, Sodium acetate, Acido acetico

Molecular Formula: C2H4O2Molecular Weight: 60.051960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-N

• Acetic Acid Benzyl Ester
IUPAC Name: phenylmethyl acetate | CAS Registry Number: 140-11-4
Synonyms: BENZYL ACETATE, Benzyl ethanoate, benzylacetate, Phenylmethyl acetate, Acetic acid, benzyl ester, Phenylmethyl ethanoate, alpha-Acetoxytoluene, Acetic acid, phenylmethyl ester, nchem.167-comp5, Caswell No. 081EA, Acetic acid benzyl ester, (Acetoxymethyl)benzene, Benzyl acetate (natural), .alpha.-Acetoxytoluene, ACETATO DE BENCILO, FEMA No. 2135, CCRIS 1423, NCI-C06508, WLN: 1VO1R, B15805_ALDRICH

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QUKGYYKBILRGFE-UHFFFAOYSA-N

• Acetic acid nickel(II)
IUPAC Name: nickel(2+) diacetate tetrahydrate | CAS Registry Number: 6018-89-9
Synonyms: NICKEL ACETATE, Diacetatonickel tetrahydrate, Nickel diacetate tetrahydrate, Nickelous acetate tetrahydrate, Nickel(II) acetate tetrahydrate, NICKEL ACETATE TETRAHYDRATE, LS-1433, Acetic acid, nickel(+2) salt, tetrahydrate, Nickel acetate tetrahydrate [Nickel and nickel compounds], NICKEL ACETATE TETRAHYDRATE (CHEMICAL MIXTURE)

Molecular Formula: C4H14NiO8Molecular Weight: 248.842560 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: OINIXPNQKAZCRL-UHFFFAOYSA-L

• Acetic Acid, [(2-Furanylmethyl)thio], Methyl Ester
IUPAC Name: methyl 2-(furan-2-ylmethylsulfanyl)acetate | CAS Registry Number: 108499-33-8
Synonyms: ST50407322, Aceticacid, [(2-furanylmethyl)thio]-methylester, Acetic acid,2-[(2-furanylmethyl)thio]-, methyl ester, ZINC02581472, AC1ODXSO, ACMC-20f6v3, SureCN9195510, ACE025, CTK4A6068, methyl 2-(2-furylmethylthio)acetate, AKOS009144149, AG-D-24947, MCULE-9164054977, AC-20343, methyl 2-(furan-2-ylmethylsulfanyl)acetate, Acetic acid, [(2-furanylmethyl)thio]-, methyl ester, Acetic acid,[(2-furanylmethyl)thio]-, methyl ester (9CI); Methyl 2-(furfurylthio)acetate;Methyl 2-furanylmethylthioacetate

Molecular Formula: C8H10O3SMolecular Weight: 186.228200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XPVNCXPHDABNLE-UHFFFAOYSA-N

• Acetic Anhydride
IUPAC Name: acetyl acetate | CAS Registry Number: 108-24-7
Synonyms: ACETIC ANHYDRIDE, Acetanhydride, Acetyl oxide, Acetyl acetate, Acetic oxide, Acetyl ether, Ethanoic anhydride, Acetyl anhydride, Acetic acid, anhydride, Anhydride acetique, Ethanoic anhydrate, Essigsaeureanhydrid, Caswell No. 003A, acetic acid anhydride, Azijnzuuranhydride [Dutch], Octowy bezwodnik [Polish], silane, acetyltrimethyl-, Anidride acetica [Italian], Anhydride acetique [French], Essigsaeureanhydrid [German]

Molecular Formula: C4H6O3Molecular Weight: 102.088640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WFDIJRYMOXRFFG-UHFFFAOYSA-N

• Acetoacet O-Chloranilide
IUPAC Name: N-(2-chlorophenyl)-3-oxobutanamide | CAS Registry Number: 93-70-9
Synonyms: AAoC, o-Chloroacetoacetanilide, Acetoacet-o-chloranilide, o-Acetoacetochloroanilide, Acetoacet-o-chloroanilide, 2'-Chloroacetoacetanilide, o-Acetoacetochloranilide, Acetoacetyl-o-chloroanilide, Acetoacet-o-chloroacetanilide, Acetoacetyl-2-chloroanilide, N-Acetoacetyl-2-chloroaniline, Acetoacetanilide, o-chloro-, Maybridge1_002473, N-(2-Chlorophenyl)acetoacetamide, ACETOACETANILIDE, 2'-CHLORO-, DivK1c_001225, Butanamide, N-(2-chlorophenyl)-3-oxo-, NSC 3913, EINECS 202-269-1, 3-Oxo-N-(2-chlorophenylbutanamide)

Molecular Formula: C10H10ClNO2Molecular Weight: 211.644900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BFVHBHKMLIBQNN-UHFFFAOYSA-N

• Acetoacetanilide
IUPAC Name: 3-oxo-N-phenylbutanamide | CAS Registry Number: 102-01-2
Synonyms: ACETOACETANILIDE, Acetylacetanilide, Acetoacetamidobenzene, Acetoacetanilid, Acetoacetylaniline, Acetoacetic anilide, N-Phenylacetoacetamide, beta-Ketobutyranilide, 3-Oxo-N-phenylbutanamide, Acetoacetic acid anilide, N-(Acetylacetyl)aniline, Butanamide, 3-oxo-N-phenyl-, Acetanilide, 2-acetyl-, Acetoacetylaminobenzene, .beta.-Ketobutyranilide, ((Acetoacetyl)amino)benzene, .alpha.-Acetylacetanilide, USAF EK-1239, 1-(Phenylcarbamoyl)-2-propanone, alpha-Acetyl-N-phenylacetamide

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DYRDKSSFIWVSNM-UHFFFAOYSA-N

• Acetoacetic Acid Methyl Ester
IUPAC Name: methyl 3-oxobutanoate | CAS Registry Number: 105-45-3
Synonyms: Methyl 3-oxobutanoate, Methylacetoacetate, Methyl acetylacetate, Methyl 3-oxobutyrate, METHYL ACETOACETATE, Methyl acetylacetonate, Acetoacetic methyl ester, Acetoacetic acid, methyl ester, Acetoacetic acid methyl ester, 1-Methoxybutane-1,3-dione, Butanoic acid, 3-oxo-, methyl ester, 3-Oxobutanoic acid methyl ester, CCRIS 2302, HSDB 1083, 537365_ALDRICH, 00500_FLUKA, 10913_FLUKA, 14610_FLUKA, EINECS 203-299-8, Methylester kyseliny acetoctove [Czech]

Molecular Formula: C5H8O3Molecular Weight: 116.115220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WRQNANDWMGAFTP-UHFFFAOYSA-N

• Acetoacetic Ester
IUPAC Name: ethyl 3-oxobutanoate | CAS Registry Number: 141-97-9
Synonyms: ethyl acetoacetate, ethyl 3-oxobutanoate, diacetic ether, ethyl acetylacetate, ethyl 3-oxobutyrate, ethyl acetylacetonate, Acetoacetic ester, Active acetylacetate, active acetyl acetate, ethyl-acetoacetate, Ethyl acetyl acetate, ethyl beta-ketobutyrate, acetoacetic acid, ethyl ester, Ethylacetacetat [Czech], Butanoic acid, 3-oxo-, ethyl ester, 1-Ethoxybutane-1,3-dione, Acetoctan ethylnaty [Czech], 3-oxobutanoic acid ethyl ester, FEMA No. 2415, CCRIS 1343

Molecular Formula: C6H10O3Molecular Weight: 130.141800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XYIBRDXRRQCHLP-UHFFFAOYSA-N

• Acetoacetic-O-Toluidine
IUPAC Name: N-(2-methylphenyl)-3-oxobutanamide | CAS Registry Number: 93-68-5
Synonyms: O-Acetoacetotoluidide, Acetoacet-o-toluidide, Acetoacet-o-toluidine, 2-Acetoacetylaminotoluene, 2'-Methylacetoacetanilide, Acetoacetyl-2-methylanilide, Acetoaceto-ortho-toluidide, N-Acetoacetyl-o-toluidine, Butanamide, N-(2-methylphenyl)-3-oxo-, CCRIS 7750, WLN: 1V1VMR B, ACETOACETIC-O-TOLUIDIDE, N-(2-Methylphenyl)-3-oxobutanamide, ARONIS007506, NSC 7655, EINECS 202-267-0, NSC7655, BRN 2099098, ZINC00439455, AI3-08708

Molecular Formula: C11H13NO2Molecular Weight: 191.226420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: TVZIWRMELPWPPR-UHFFFAOYSA-N


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