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R & S Pharmachem

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1 to 50 of 132 Products/Chemicals (Click for related suppliers)  Page: [1] 2 3 >> Next 50 Results
• Adenine Phosphate
IUPAC Name: phosphoric acid;7H-purin-6-amine | CAS Registry Number: 70700-30-0
Synonyms: Adenine phosphate, 52175-10-7, 6-Aminopurine phosphate, 7H-Purin-6-amine phosphate, 1H-Purin-6-amine, phosphate, EINECS 257-702-7, PubChem9684, SureCN283728, SureCN283729, AC1L550T, MolPort-003-984-187, MolPort-006-108-180, phosphoric acid; 7H-purin-6-amine, 6-amino-1H-purine; phosphoric acid, AKOS015895413, AKOS015961504, AKOS016008799, AC-5490, AM83910, RP17554

Molecular Formula: C5H8N5O4PMolecular Weight: 233.121882 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: CCHNOBQMQBSRHQ-UHFFFAOYSA-N

• Amifostine trihydrate
IUPAC Name: 2-(3-aminopropylamino)ethylsulfanylphosphonic acid trihydrate | CAS Registry Number: 112901-68-5
Synonyms: amifostine, Ethyol, Amifostine hydrate, Anifostine trihydrate, Amifostine (USP), ETHYOL (TN), Amifostine [USAN:INN:BAN], C5H15N2O3PS.3H2O, NSC 296961, LS-172202, D00226, Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihydrate, S-(2-((3-Aminopropyl)amino)ethyl) dihydrogen phosphorothioate, trihydrate

Molecular Formula: C5H21N2O6PSMolecular Weight: 268.268801 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 8

InChIKey: TXQPXJKRNHJWAX-UHFFFAOYSA-N

• Aminoglutethimide
IUPAC Name: 3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione | CAS Registry Number: 125-84-8
Synonyms: aminoglutethimide, Cytadren, Orimeten, Elipten, p-Aminoglutethimide, dl-Aminoglutethimide, Cytadren (TN), Prestwick_243, aminoglutethimide (AG), Spectrum_000040, Glutethimide, para-amino, (?)-p-Aminoglutethimide, Prestwick0_000244, Prestwick1_000244, Prestwick2_000244, Prestwick3_000244, Spectrum2_000093, Spectrum3_000296, Spectrum4_000144, Spectrum5_000802

Molecular Formula: C13H16N2O2Molecular Weight: 232.278340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ROBVIMPUHSLWNV-UHFFFAOYSA-N

• Apigenin
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 520-36-5
Synonyms: apigenin, Apigenine, Chamomile, Apigenol, Spigenin, Versulin, 4',5,7-Trihydroxyflavone, Pelargidenon 1449, Prestwick_719, C.I. Natural Yellow 1, nchembio790-comp26, Tocris-1227, 5,7,4'-Trihydroxyflavone, BiomolKI_000078, Prestwick0_000414, Prestwick1_000414, Prestwick2_000414, Prestwick3_000414, Spectrum2_000428, Spectrum3_001882

Molecular Formula: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-N

• Arazasetron HCl
IUPAC Name: N-(1-azabicyclo[2.2.2]octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide | CAS Registry Number: 123040-69-7
Synonyms: Azasetron, Nazasetron, Azasetron [INN], Azasetron (INN), Ambap1302, Azasetron [superceded RN], azasetron, (+-)-isomer, Biomol-NT_000105, C17H20ClN3O3.HCl, C17H20ClN3O3, BPBio1_001397, NCGC00024563-02, LS-172550, LS-172551, TL8000615, D07481, Y 25130, Y-25130, (- )-6-Chloro-3,4-dihydro-4-methyl-3-oxo-N-3-quinuclidinyl-2H-1,4-benzoxazine-8-carboxamide, 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, monohydrochloride

Molecular Formula: C17H20ClN3O3Molecular Weight: 349.812000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WUKZPHOXUVCQOR-UHFFFAOYSA-N

• Arbutin
IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol | CAS Registry Number: 497-76-7
Synonyms: arbutin, Uvasol, Ursin, Arbutoside, beta-Arbutin, p-Arbutin, Spectrum_000786, SpecPlus_000314, Prestwick3_001026, Spectrum2_000662, Spectrum3_001233, Spectrum4_001474, Spectrum5_000147, BSPBio_001211, BSPBio_002706, KBioGR_002047, KBioSS_001266, SPECTRUM300539, A4256_SIGMA, DivK1c_006410

Molecular Formula: C12H16O7Molecular Weight: 272.251240 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: BJRNKVDFDLYUGJ-RMPHRYRLSA-N

• Ascomycin
Synonyms: ascomycin, Immunomycin, A3835_SIGMA, FK 520, FR 520, NSC 106410, NSC-106410, CID6437370, FR 900520, NCGC00179225-01, LS-22015, LS-64246, L 683590, Ascomycin from Streptomyces hygroscopicus var. ascomyceticus, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-8-ethyl-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S-(3R*(E(1S*,3S*,4S*)),4S*,19S*,26aR*))-, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-4,10,12,18-tetram, 11011-38-4, 126340-36-1, 133876-12-7, 137767-75-0

Molecular Formula: C43H69NO12Molecular Weight: 792.007460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: ZDQSOHOQTUFQEM-PKUCKEGBSA-N

• Ascomycin [fk-520]
Synonyms: ascomycin, AIDS093221, AIDS-093221, NSC106410, FR-900520, 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-

Molecular Formula: C43H69NO12Molecular Weight: 792.007460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: ZDQSOHOQTUFQEM-BFFCMSJVSA-N

• Atomoxetine hydrochloride
IUPAC Name: (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine hydrochloride | CAS Registry Number: 82248-59-7
Synonyms: Strattera, Atomoxetine HCL, Strattera (TN), TOMOXETINE HYDROCHLORIDE, Ambap5639, C17H21NO.HCl, (R)-Tomoxetine hydrochloride, MLS001401377, MLS002153176, Atomoxetine hydrochloride [USAN], (R)-(-)-Tomoxetine hydrochloride, LY-139602 [(+)-isomer], Atomoxetine hydrochloride (JAN/USAN), tomoxetine hydrochloride, (-)-isomer, CPD000469177, LY139603, SAM001246626, SMR000469177, LS-177676, LY 139603

Molecular Formula: C17H22ClNOMolecular Weight: 291.815680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LUCXVPAZUDVVBT-UNTBIKODSA-N

• Azasetron hydrochloride
IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride | CAS Registry Number: 141922-90-9
Synonyms: azasetron hydrochloride, Serotone, Azasetron, 123040-16-4, Y 25130, C17H20ClN3O3.HCl, Y-25130, 123040-69-7, 2H-1,4-Benzoxazine-8-carboxamide, 3,4-dihydro-N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-4-methyl-3-oxo-, monohydrochloride, 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, monohydrochloride, N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide hydrochloride, SMR000466285, Azasetron HCl, Serotone (TN), Nazasetron hydrochloride, AC1L3GCQ, NPFAPI-08, SureCN442156, MLS000758245, MLS001424223

Molecular Formula: C17H21Cl2N3O3Molecular Weight: 386.272940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DBMKBKPJYAHLQP-UHFFFAOYSA-N

• Calcitonin (salmon)
Synonyms: Cibacalcin, Miacalcin, Calcimar, Fortical, Salmon calcitonin, Osseocalcina, Prontocalcin, Bionocalcin, Calcihexal, Calcimonta, Calcitonina, Calcitoran, Cibacalcine, Eptacalcin, Miracalcic, Ostostabil, Porostenina, Rulicalcin, Salmocalcin, Tonocalcin

Molecular Formula: C145H240N44O48S2Molecular Weight: 3431.853100 [g/mol]
H-Bond Donor: 52H-Bond Acceptor: 56

InChIKey: BBBFJLBPOGFECG-UHFFFAOYSA-N

• Camptothecin
Synonyms: camptothecin, Camptothecine, d-Camptothecin, (S)-Camptothecin, (+)-Camptothecin, (+)-Camptothecine, 20(S)-Camptothecine, 20(S)-Camptothecin, Camptothecine (8CI), Prestwick_102, (S)-(+)-Camptothecin, Camptothecine (S,+), Spectrum_000299, Tocris-1100, (S)-()-Camptothecin, SpecPlus_000712, Prestwick0_000200, Prestwick1_000200, Prestwick2_000200, Prestwick3_000200

Molecular Formula: C20H16N2O4Molecular Weight: 348.352040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: VSJKWCGYPAHWDS-FQEVSTJZSA-N

• Carboplatin
IUPAC Name: azane; cyclobutane-1,1-dicarboxylic acid; platinum(2+) | CAS Registry Number: 41575-94-4
Synonyms: carboplatin, Paraplatin, Cbdca, Carboplatine [French], Carboplatinum [Latin], Carboplatino [Spanish], CCRIS 3404, JM 8, CHEBI:31355, HSDB 6957, Carboplatin [USAN:BAN:INN:JAN], EINECS 255-446-0, NSC 201345, NSC 241240, NSC-241240, EU-0100230, cis-Diammine(1,1-cyclobutanedicarboxylato)platinum, cis-(1,1-Cyclobutanedicarboxylato)diammineplatinum(II), cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II), 1,1-Cyclobutanedicarboxylate diammine platinum(II)

Molecular Formula: C6H14N2O4Pt+2Molecular Weight: 373.264360 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: OLESAACUTLOWQZ-UHFFFAOYSA-N

• Ceftiofur
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 80370-57-6
Synonyms: Excenel, Ceftiofur (INN), Ceftiofur hydrochloride, Ceftiofur [USAN], Naxcel [veterinary], Ceftiofurum [Latin], Naxcel [veterinary] (TN), C19H17N5O7S3.HCl, Ceftiofur Hydrochloride [USAN], U 64279A, U 67279A, CID6328657, LS-171899, D07657, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo, monohydrochloride, (6R,7R), (6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-(mercaptomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime), 2-furoate (ester), (6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-(mercaptomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime), 2-furoate (ester), monohydrochloride, 103980-44-5, 104010-37-9, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(Z)))-

Molecular Formula: C19H17N5O7S3Molecular Weight: 523.562580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: ZBHXIWJRIFEVQY-IHMPYVIRSA-N

• Cholesterol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 57-88-5
Synonyms: cholesterol, Cholesterin, Cordulan, Dusoline, Dusoran, Cholesterine, Cholestrin, Cholestrol, Hydrocerin, Provitamin D, Dythol, Kathro, Lanol, Super hartolan, Lidinite, Lidinit, Cholesteryl alcohol, Cholesterol base H, Cholest-5-en-3beta-ol, Tegolan

Molecular Formula: C27H46OMolecular Weight: 386.653540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-N

• Cisplatin
IUPAC Name: azane; platinum(2+); dichloride | CAS Registry Number: 15663-27-1
Synonyms: cisplatin, Transplatin, cis-Platinum, Biocisplatinum, Platidiam, Platinol, trans-DDP, platino, Cisplatine, Platiblastin, Abiplatin, Briplatin, Cisplatyl, Neoplatin, Platosin, cis Platinum, cis-Platin, Peyrone's chloride, DDPt, cis-Platinum(II)

Molecular Formula: Cl2H6N2PtMolecular Weight: 300.045040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LXZZYRPGZAFOLE-UHFFFAOYSA-L

• Colcemid
IUPAC Name: 1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one | CAS Registry Number: 477-30-5
Synonyms: Demecolcine, colcemid, Colchamine, Demecolcin, Desmecolcine, Kolchamin, Kolkamin, Omaine, Methylcolchicine, Omain, Substance F, Reichstein's F, (-)-Demecolcine, (-)-Colchamine, Kolchicin [Czech], Santavy's substance F, Deacetylmethylcolchicine, Desacetylmethylcolchicine, N-Desacetylmethylcolchicine, Demecolcinum [INN-Latin]

Molecular Formula: C21H25NO5Molecular Weight: 371.426900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: NNJPGOLRFBJNIW-UHFFFAOYSA-N

• Colchicine
IUPAC Name: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide | CAS Registry Number: 64-86-8
Synonyms: colchicine, Colchicina, Colchicin, Colsaloid, Condylon, Colchineos, Colchisol, Colcin, Colchicinum, spindle poison, ColBenemid, 7alphaH-Colchicine, Colstat, Col-Probenecid, Mixture Name, Colchicine [JAN], Proben-C, Colchicin [German], (S)-colchicine, Colchicine (TN)

Molecular Formula: C22H25NO6Molecular Weight: 399.437000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-N

• Cyclic N-Acetyl-D-mannosamine
IUPAC Name: N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide hydrate | CAS Registry Number: 7772-94-3
Synonyms: N-Acetyl-beta-D-mannosamine, CID3084028, beta-D-Mannopyranose, 2-(acetylamino)-2-deoxy-

Molecular Formula: C8H17NO7Molecular Weight: 239.223080 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 7

InChIKey: VVQPUTSNIMAJPT-UHFFFAOYSA-N

• Cyclosporin A
IUPAC Name: (2S,5S,8S,11S,14R,17S,20S,23S,26S,32S)-32-ethyl-2-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,27,30-nonamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23-di(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 59865-13-3
Synonyms: cyclosporin A, cyclosporine, Ciclosporin, Cyclosporin, Sandimmune, Ramihyphin A, Sigmasporin, Consupren, Cyclokat, Mitogard, Neoplanta, Papilock, Pulminiq, Restasis, Sandimmun, Equoral, Gengraf, Vekacia, Neoral, Cyclosporine A

Molecular Formula: C62H111N11O12Molecular Weight: 1202.611240 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: PMATZTZNYRCHOR-CGLBZJNRSA-N

• Cyclosporin B
IUPAC Name: (2R,5S,8S,11S,14S,17R,20S,23S,26S,32S)-2-[(E)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,27,30,32-decamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23-di(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 63775-95-1
Synonyms: Cyclosporin A, 7-L-alanine-, CID6450331

Molecular Formula: C61H109N11O12Molecular Weight: 1188.584660 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: UCOQITKXMNKTKF-BMNGICEZSA-N

• Cyclosporin C
IUPAC Name: (2S,5S,8S,11S,14R,17S,20S,23S,26S,32S)-32-[(1R)-1-hydroxyethyl]-2-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,27,30-nonamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23-di(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 59787-61-0
Synonyms: [Thr2]CsA, AIDS108971, AIDS-108971, CID5287817, BMT-THR-SAR-MLE-VAL-MLE-ALA-DAL-MLE-MLE-MVA, Cyclo[[(E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl]-L-threonine-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl]

Molecular Formula: C62H111N11O13Molecular Weight: 1218.610640 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 13

InChIKey: JTOKYIBTLUQVQV-QRVTZXGZSA-N

• Cyclosporin D
IUPAC Name: (5S,8S,11S,14R,17S,20S,23S,26S,32S)-2-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,27,30-nonamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23,32-tri(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 63775-96-2
Synonyms: Cyclosporin A der., 4-Nitrosohydrochlorothiazide, Cyclosporin A, 7-L-valine-, AIDS081108, AIDS-081108, CID6436250

Molecular Formula: C63H113N11O12Molecular Weight: 1216.637820 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: ZNVBEWJRWHNZMK-APUFIDQKSA-N

• Cyclosporin H
IUPAC Name: (5S,8S,11S,14R,17S,20S,23R,26S,32S)-32-ethyl-2-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,24,27,30-decamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23-di(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 83602-39-5
Synonyms: Csh cyclosporin, Cyclosporine H, Cyclosporin A der., Sandoz 37-839, 5-(N-Methyl-D-valine)cyclosporine A, AIDS081105, AIDS-081105, Cyclosporin A, 5-(N-methyl-D-valine)-, C050025, Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-D-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl]

Molecular Formula: C63H113N11O12Molecular Weight: 1216.637820 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 12

InChIKey: BQQHPBPTWWXRMU-SXHXJWHLSA-N

• D(+)-Xylose
IUPAC Name: (2S,3R,4S,5R)-oxane-2,3,4,5-tetrol | CAS Registry Number: 58-86-6
Synonyms: xylose, Wood sugar, Xylo-Pfan, Xylose, pure, D-xylose, Xylomed, alpha-D-Xylose, (+)-Xylose, Alpha-d-xylopyranose, Xylose (VAN), Xylose, D-, Xylose [USAN], XYLOPYRANOSE, d-(+)-Xylose, D-Xylose (9CI), (D)-XYLOSE, Xylose, D- (8CI), 2,3,4,5-Tetrahydroxypentanal, bmse000026, UNII-A1TA934AKO

Molecular Formula: C5H10O5Molecular Weight: 150.129900 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: SRBFZHDQGSBBOR-LECHCGJUSA-N

• D-(+)-Malic acid
IUPAC Name: (2R)-2-hydroxybutanedioic acid | CAS Registry Number: 636-61-3
Synonyms: D-malic acid, malic acid, D-malate, Malic acid, D-, L(+)-Malic acid, (R)-malic acid, (R)-malate, D-()-Malic acid, Malic acid, L(+)-, (+)-D-malic acid, D-(+)-malic acid, Malic acid D-(+)-form, nchembio.145-comp29, D-Hydroxybutanedioic acid, 2-HYDROXY-SUCCINIC ACID, 46940U_SUPELCO, butanedioic acid, 2-hydroxy-, MLS000069520, (2R)-2-hydroxybutanedioic acid, 02300_FLUKA

Molecular Formula: C4H6O5Molecular Weight: 134.087440 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: BJEPYKJPYRNKOW-UWTATZPHSA-N

• D-(+)-Trehalose dihydrate
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol | CAS Registry Number: 6138-23-4
Synonyms: trehalose, Mycose, Ergot sugar, alpha-Trehalose, alpha-D-Trehalose, alpha,alpha-trehalose, Trehaose, Treha, D-Trehalose, Natural trehalose, D-(+)-Trehalose, D(+)Trehalose, Trehalose (8CI), alpha,alpha'-Trehalose, 2b1q, TREHALOSE, DIHYDRATE, alpha,alpha'-D-Trehalose, GLC-(1-1)GLC, CHEBI:16551, NSC 2093

Molecular Formula: C12H22O11Molecular Weight: 342.296480 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: HDTRYLNUVZCQOY-LIZSDCNHSA-N

• D-Galactose (CAS: 59-23-4)
• D-Lyxose isomerase (CAS: 37318-42-6)
• D-Mannose
IUPAC Name: (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol | CAS Registry Number: 3458-28-4
Synonyms: D-mannose, D-Mannopyranose, Carubinose, Seminose, mannose, DL-Mannose, Mannopyranose, D-, Mannose, D-, Mannose (VAN), nchembio828-comp8, (+)-Mannose, D(+)-Mannose, D-()-Mannose, D-(+)-Mannose, (+-)-Mannose, nchembio.151-comp3, MLS001332527, MLS001332528, M2069_SIGMA, M6020_SIGMA

Molecular Formula: C6H12O6Molecular Weight: 180.155880 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: WQZGKKKJIJFFOK-QTVWNMPRSA-N

• D-Ribose(mixture of isomers)
IUPAC Name: (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol | CAS Registry Number: 50-69-1
Synonyms: D-ribose, ribose, D-ribofuranose, alpha-D-ribose, Ribose, D-, alpha-D-ribose-5, D-(-)-Ribose, R1757_ALDRICH, MLS001335979, MLS001335980, R7500_SIGMA, R9629_SIGMA, R9633_SIGMA, W379301_ALDRICH, D-(−)-Ribose, CHEBI:47013, CID5779, EINECS 200-059-4, AI3-52667, BRN 1723081

Molecular Formula: C5H10O5Molecular Weight: 150.129900 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: HMFHBZSHGGEWLO-SOOFDHNKSA-N

• Decitabine
IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one | CAS Registry Number: 2353-33-5
Synonyms: Dezocitidine, Dacogen, 5-Aza-2'-deoxycytidine, AzadC, 5-Azadeoxycytidine, 5-aza-CdR, 5-aza-dC, Dacogen (TN), 2'-Deoxy-5-azacytidine, 5A2dc, 5-aza-2-deoxycytidine, 5-AZAdC, NCGC_5ADOC, Decitabine (USAN/INN), MolMap_000063, MLS001332587, MLS001332588, A3656_SIGMA, 5-Aza-2′-Deoxycytidine, 5-Deoxy-2′-azacytidine

Molecular Formula: C8H12N4O4Molecular Weight: 228.205280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-N

• Diethyl-D-(-)-Tartrate
IUPAC Name: diethyl (2R,3S)-2,3-dihydroxybutanedioate | CAS Registry Number: 13811-71-7
Synonyms: DIETHYL-D-TARTRATE, Diethyl 2,3-dihydroxysuccinate, ZINC01648297, Butanedioic acid, 2,3-dihydroxy-, diethyl ester, 87-91-2, InChI=1/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H

Molecular Formula: C8H14O6Molecular Weight: 206.193160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: YSAVZVORKRDODB-OLQVQODUSA-N

• Docetaxel
Synonyms: docetaxel, Taxotere, Docetaxol, Docetaxel anhydrous, nchembio853-comp8, Docetaxel, Trihydrate, nchembio.2007.34-comp7, 01885_FLUKA, XRP-6976L, ANX-514, SDP-014, DB01248, NSC-628503, RP-56976, SL-00678, C11231, TXL, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate

Molecular Formula: C43H53NO14Molecular Weight: 807.879220 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 14

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

• Doxifluridine
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione | CAS Registry Number: 3094-09-5
Synonyms: doxifluridine, Furtulon, Flutron, doxyfluridine, 5'-Doxifluridine, 5'-Deoxy-5-fluorouridine, Furtulon (TN), 5-Fluorodeoxyuridine, 5'-Dfur, 5'dFUrd, 5-fluoro-5'-deoxyuridine, Doxifluridine [INN:JAN], Doxifluridinum [INN-Latin], Doxifluridina [INN-Spanish], 5'FDUR, 5-DFUR, Uridine-5'-deoxy-5-fluoro-, 5'-fluoro-5'-deoxyuridine, Doxifluridine (JP15/INN), Uridine, 5'-deoxy-5-fluoro-

Molecular Formula: C9H11FN2O5Molecular Weight: 246.192443 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: ZWAOHEXOSAUJHY-ZIYNGMLESA-N

• Duloxetine
IUPAC Name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine | CAS Registry Number: 116539-59-4
Synonyms: duloxetine, Cymbalta, (S)-Duloxetine, Duloxetine HCl, (+-)-Duloxetine, Duloxetine [INN:BAN], duloxetine, (+)-isomer, C18H19NOS, MLS000758267, MLS001423946, DULOXETINE HYDROCHLORIDE, CHEBI:36795, HSDB 7368, LY 248686, PDSP1_000969, PDSP1_001385, PDSP2_000953, PDSP2_001369, DB00476, NCGC00164559-01

Molecular Formula: C18H19NOSMolecular Weight: 297.414560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZEUITGRIYCTCEM-KRWDZBQOSA-N

• Enocitabine
IUPAC Name: N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]docosanamide | CAS Registry Number: 55726-47-1
Synonyms: enocitabine, Sunrabin, sunrabim, behenoyl ara-C, Sunrabin (TN), BHAC, Enocitabine [INN:JAN], Enocitabinum [INN-Latin], N(4)-behenoyl ara-C, Behenoylcytosine arabinoside, BH-AC, Enocitabina [INN-Spanish], Enocitabine (JAN/INN), C31H55N3O6, N(sup 4)-Behenoylcytosine arabinoside, NSC-239336, BRN 0772101, NSC 239336, NCGC00167515-01, LS-63369

Molecular Formula: C31H55N3O6Molecular Weight: 565.784900 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: SAMRUMKYXPVKPA-VFKOLLTISA-N

• Ergosterol
IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 57-87-4
Synonyms: ERGOSTEROL, Provitamin D2, Ergosterin, 47130U_SUPELCO, E6510_SIGMA, MEGxm0_000450, 45480_FLUKA, 5,7,22-Ergostatrien-3beta-ol, ACon0_000429, ACon1_000637, CHEBI:16933, AIDS064232, AIDS-064232, Ergosta-5,7,22E-trien-3beta-ol, NSC62791, CID444679, LMST01030093, ZINC04084618, 3beta-Hydroxy-5,7,22-ergostatriene, NCGC00168889-01

Molecular Formula: C28H44OMolecular Weight: 396.648360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DNVPQKQSNYMLRS-APGDWVJJSA-N

• Esculin
IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one | CAS Registry Number: 531-75-9
Synonyms: aesculin, Esculoside, Enallachrome, Polychrome, Bicolorin, Crataegin, Esculine, Polychrom, Escosyl, Vitamin C2, Spectrum_000361, Esculetin 6-O-glucoside, Spectrum2_000576, Spectrum3_000731, Spectrum4_001923, Spectrum5_000845, Esculetin 6-b-D-glucoside, BSPBio_002282, KBioGR_002266, KBioSS_000841

Molecular Formula: C15H16O9Molecular Weight: 340.282140 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: XHCADAYNFIFUHF-TVKJYDDYSA-N

• Estramustine
IUPAC Name: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate | CAS Registry Number: 2998-57-4
Synonyms: estramustine, Estramustine (USAN/INN), CHEBI:4868, LEO 275, NSC89201, CID259331, LMST02010038, Estradiol 3-[bis(2-chloroethyl)carbamate], NCGC00164581-01, NCI60_041982, Estradiol, 3-[bis(2-chloroethyl)carbamate], RO 21-8837, C11228, D04066, Estradiol 3-(N,N-bis(2-chloroethyl)carbamate), 17beta-Estradiol 3-(bis(2-chloroethyl)carbamate), 17.beta.-Estradiol 3-[bis(2-chloroethyl)carbamate], (17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate, Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 3-[bis(2-chloroethyl)carbamate], Estra-1,3,5(10)-triene-3,17-diol, 3-[bis(2-chloroethyl)carbamate], (17.beta.)-

Molecular Formula: C23H31Cl2NO3Molecular Weight: 440.403140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FRPJXPJMRWBBIH-RBRWEJTLSA-N

• Flurocitabine
Synonyms: AAFC, Flurocitabine (USAN/INN), CHEBI:552683, CID3034016, NSC-166641, D04233

Molecular Formula: C9H10FN3O4Molecular Weight: 243.191803 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: PAYBYKKERMGTSS-MNCSTQPFSA-N

• Fluvoxamine maleate
IUPAC Name: (Z)-but-2-enedioic acid; 2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine | CAS Registry Number: 61718-82-9
Synonyms: Luvox, FLUVOXAMINE MALEATE, fluvoxamine, Depromel, Floxyfral, Faverin, Fevarin, Luvox CR, Luvox (TN), Fluvoxamine maleate [USAN], F2802_SIGMA, SME 3110, Fluvoxamine maleate (JAN/USAN), DU23000, SME-3110, MK-264, NSC309469, C15H21F3N2O2.C4H4O4, NSC 309469, NCGC00093897-01

Molecular Formula: C19H25F3N2O6Molecular Weight: 434.406810 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: LFMYNZPAVPMEGP-PIDGMYBPSA-N

• Folinic acid calcium
IUPAC Name: calcium (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate | CAS Registry Number: 1492-18-8
Synonyms: Wellcovorin, calcium folinate, Lederfoline, Calcium leucovorin, Uzel, LEUCOVORIN CALCIUM, Folinate-SF Calcium, Wellcovorin (TN), Prestwick_224, Folinic acid calcium salt, Leucovorin calcium salt, Calcium citrovorum factor, Uzel (TN), Leucovorin Calcium [USAN], Calcii folinas [INN-Latin], Leucovorin calcium (USP), Calcium folinate (JP15), Folinic acid-SF, calcium salt, Calcium 5-formyltetrahydrofolate, Folinato calcico [INN-Spanish]

Molecular Formula: C20H21CaN7O7Molecular Weight: 511.501440 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: KVUAALJSMIVURS-ZEDZUCNESA-L

• Formononetin
IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one | CAS Registry Number: 485-72-3
Synonyms: formononetin, Biochanin B, Formononetol, 7-Hydroxy-4'-methoxyisoflavone, 4'-O-methyldaidzein, Spectrum_000373, SpecPlus_000223, Daidzein 4-methyl ether, Spectrum2_000560, Spectrum3_000660, Spectrum4_001429, Spectrum5_000258, NCIOpen2_005983, Oprea1_139748, Oprea1_815287, BSPBio_002299, KBioGR_001878, KBioSS_000853, SPECTRUM102007, MLS000697593

Molecular Formula: C16H12O4Molecular Weight: 268.264080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HKQYGTCOTHHOMP-UHFFFAOYSA-N

• Fotemustine
IUPAC Name: 1-(2-chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea | CAS Registry Number: 92118-27-9
Synonyms: Muphoran, Fotemustina, Fotemustinum, Mustoforan, Fotemustinum [Latin], Servier-10036, Fotemustina [Spanish], Muphoran (TN), Fotemustine [BAN:INN], Fotemustine (INN/BAN), C9H19ClN3O5P, CCRIS 6337, Servier brand of fotemustine, CID104799, DB04106, S 10036, S-10036, LS-106511, Diethyl-1-(3-(2-chloroethyl)-3-nitrosoureido)ethylphosphonate, D07255

Molecular Formula: C9H19ClN3O5PMolecular Weight: 315.691021 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: YAKWPXVTIGTRJH-UHFFFAOYSA-N

• Galamustine
IUPAC Name: (3R,4S,5R,6R)-6-[bis(2-chloroethyl)aminomethyl]oxane-2,3,4,5-tetrol | CAS Registry Number: 105618-02-8
Synonyms: Galamustina, Galamustinum, C6-Galactose mustard, Galamustinum [INN-Latin], UNII-P771FDQ1WJ, Galamustina [INN-Spanish], CID65891, 107811-63-2 (hydrochloride), 6-(Bis(2-chloroethyl)amino)-6-deoxy-D-galactopyranose, D-Galactopyranose, 6-(bis(2-chloroethyl)amino)-6-deoxy-

Molecular Formula: C10H19Cl2NO5Molecular Weight: 304.167560 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: COKGUJJIBXWRNV-CYNREMDZSA-N

• Gemcitabine hydrochloride
IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one hydrochloride | CAS Registry Number: 122111-03-9
Synonyms: Gemzar, Gemzar (TN), GEMCITABINE HYDROCHLORIDE, Ambap6387, LY188011 hydrochloride, Gemcitabine HCL (Gemzar), C9H11F2N3O4.HCl, Gemcitabine hydrochloride [USAN], Gemcitabine hydrochloride (JAN/USAN), 2',2'-Difluorodeoxycytidine monohydrochloride, CPD000469146, LS-59069, SAM001246550, TL8000589, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride, D01155, Cytidine, 2'-deoxy-2',2'-difluoro-, monohydrochloride, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride (beta-isomer), 103882-84-4, 95058-81-4

Molecular Formula: C9H12ClF2N3O4Molecular Weight: 299.659086 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: OKKDEIYWILRZIA-OSZBKLCCSA-N

• Genistein
IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 446-72-0
Synonyms: genistein, Genisteol, Genisterin, Prunetol, Sophoricol, Genestein, Differenol A, Isoflavone, Bonistein, 4',5,7-Trihydroxyisoflavone, 5,7,4'-Trihydroxyisoflavone, Lactoferrin-genistein, nchembio.76-comp6, Spectrum_000320, Tocris-1110, 1x7r, SpecPlus_000305, Spectrum2_000638, Spectrum3_000678, Spectrum4_001543

Molecular Formula: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: TZBJGXHYKVUXJN-UHFFFAOYSA-N

• Homoharringtonine
Synonyms: homoharringtonine, Cephalotaxus alkaloid, Homoharringtonine (8CI), C29H39NO9, AIDS003025, NSC 141633, AIDS-003025, BRN 5687925, HSCI1_000363, NSC141633, LS-52751, Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), Cephalotaxine, 4-methyl-, 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester) (9CI), Cephalotaxine, 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), (3(R))-, Cephalotaxine, 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), (3(R))- (9CI)

Molecular Formula: C29H39NO9Molecular Weight: 545.621260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: HYFHYPWGAURHIV-ZEDNPHJLSA-N

• Hyaluronic acid sodium
IUPAC Name: sodium (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid | CAS Registry Number: 9067-32-7
Synonyms: Legend, Healon, Sodium hyaluronate, Hyalurone sodium, Hyalgan, Hyaluronate Sodium, Equron (Veterinary), Synacid (veterinary), Legend (TN), Nrd101, Hyaluronic acid, sodium salt, Sodium hyaluronate (JAN), Hyaluronate sodium (USAN), CCRIS 4127, Hyaluronate Sodium [USAN:JAN], SI-4402, SL-1010, LS-75959, D03354, SPH

Molecular Formula: C28H44N2NaO23+Molecular Weight: 799.638330 [g/mol]
H-Bond Donor: 14H-Bond Acceptor: 23

InChIKey: YWIVKILSMZOHHF-QJZPQSOGSA-N


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