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• N4-Benzoyl-2′-deoxycytidine

IUPAC Name: N-[1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide | CAS Registry Number: 4836-13-9
Synonyms: N-Benzoyl-2'-deoxycytidine, Oprea1_534532, Cytidine, N-benzoyl-2'-deoxy-, NSC609074, AIDS160266, AIDS-160266, EINECS 225-421-9, CID107598, NSC 609074, 2(1H)-Pyrimidinone, 4-(benzoylamino)-1-(2-deoxy-.beta.-L-erythro-pentofuranosyl)-

Molecular Formula:	C₁₆H₁₇N₃O₅	Molecular Weight:	331.323280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: MPSJHJFNKMUKCN-DYEKYZERSA-N

• N4-Benzoylcytosine

IUPAC Name: N-(2-oxo-1H-pyrimidin-6-yl)benzamide | CAS Registry Number: 26661-13-2
Synonyms: Oprea1_638286, 436798_ALDRICH, NSC211617, SBB012418, ZINC00140365, N-(2-Oxo-1,2-dihydro-4-pyrimidinyl)benzamide, Benzamide, N-(1,2-dihydro-2-oxo-4-pyrimidinyl)-

Molecular Formula:	C₁₁H₉N₃O₂	Molecular Weight:	215.208060 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: XBDUZBHKKUFFRH-UHFFFAOYSA-N

• N5-Benzoyl Cytidine

IUPAC Name: N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide | CAS Registry Number: 13089-48-0
Synonyms: TimTec1_004198, NSC242979, SBB005957

Molecular Formula:	C₁₆H₁₇N₃O₆	Molecular Weight:	347.322680 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: BNXBRFDWSPXODM-UHFFFAOYSA-N

• N6-Benzoyl Adenosine

IUPAC Name: N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide | CAS Registry Number: 4546-55-8
Synonyms: N-Benzoyladenosine, N6-Benzoyladenosine, 6-N-Benzoyladenosine, SureCN233208, KSC235M6F, CHEMBL1688962, CTK1D5662, ACN-S002264, ACT06793, ANW-30282, AKOS015839046, AKOS015889319, RL03707, AK114406, KB-57490, FT-0635357, X2998, N-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide

Molecular Formula:	C₁₇H₁₇N₅O₅	Molecular Weight:	371.347380 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: NZDWTKFDAUOODA-CNEMSGBDSA-N

• N6-BENZYLADENINE HYDROCHLORIDE

IUPAC Name: N-benzyl-7H-purin-6-amine;hydrochloride | CAS Registry Number: 162714-86-5
Synonyms: 6-Benzylaminopurine hydrochloride, N-Benzyl-9H-purin-6-amine hydrochloride, SureCN218732, SureCN218733, SureCN4878386, AGN-PC-006S1D, CTK8E5339, ANW-66828, AKOS016008292, N-benzyl-7H-purin-6-amine;hydrochloride, AK-95367, KB-44686

Molecular Formula:	C₁₂H₁₂ClN₅	Molecular Weight:	261.710180 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: VQVCNMLGIVVDOS-UHFFFAOYSA-N

• Nabumetone

IUPAC Name: 4-(6-methoxynaphthalen-2-yl)butan-2-one | CAS Registry Number: 42924-53-8
Synonyms: nabumetone, Relafen, Listran, Relifex, Nabumetona, Arthaxan, Mebutan, Relifen, Relif, nabumeton, Consolan, Dolsinal, Flambate, Unimetone, Balmox, Prodac, Arthraxan, Nabucox, Nabuser, Apo-Nabumetone

Molecular Formula:	C₁₅H₁₆O₂	Molecular Weight:	228.286340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: BLXXJMDCKKHMKV-UHFFFAOYSA-N

• Nadifloxacin

Synonyms: nadifloxacin, Acuatim, S-Nadifloxacin, Nadoxin, Nadixa, NDFX, Acuatim (TN), Nadifloxacine [INN-French], Nadifloxacinum [INN-Latin], Nadifloxacin (JAN/INN), Nadifloxacino [INN-Spanish], Opc 7251, Nadifloxacin [BAN:INN:JAN], OPC-7251, CCRIS 4066, MLS002154166, C19H21FN2O4, CHEBI:31889, NCGC00164620-01, SMR001233465

Molecular Formula:	C₁₉H₂₁FN₂O₄	Molecular Weight:	360.379443 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: JYJTVFIEFKZWCJ-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

• Naftopidil

IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol | CAS Registry Number: 57149-07-2
Synonyms: naftopidil, Flivas, Avishot, Naftopidil [INN], Naftopidilum [Latin], Flivas (TN), Naftopidil (unspecified), Naftopidil (JAN/INN), Prestwick0_000975, Prestwick1_000975, Prestwick2_000975, Prestwick3_000975, Lopac0_000941, BSPBio_001009, MLS000759459, MLS001424117, SPBio_002920, KT-611, BPBio1_001111, NAFTOPIDIL DIHYDROCHLORIDE

Molecular Formula:	C₂₄H₂₈N₂O₃	Molecular Weight:	392.490720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: HRRBJVNMSRJFHQ-UHFFFAOYSA-N

• Nandrolone Decanoate

IUPAC Name: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] decanoate | CAS Registry Number: 360-70-3
Synonyms: Retabolil, Deca-Durabolin, naboline, Deca-Hybolin, Decadurabolin, Decadurobolin, Adenocorin, Salistoperm, Superbolan, Anabolin, Axedanin, Dimapolan, Palactin, Retabolyl, Rougerol, Ziremilon, Anaboline Depot, Anabolin Depot, ndrolone-D, Deca-Durabol

Molecular Formula:	C₂₈H₄₄O₃	Molecular Weight:	428.647160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: JKWKMORAXJQQSR-MOPIKTETSA-N

• Nandrolone phenylpropionate

IUPAC Name: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate | CAS Registry Number: 62-90-8
Synonyms: Durabolin, Nandrolin, nandrolone, Superanabolon, Phenobolin, Fenobolin, Nerobolil, Nerobil, NTPP, Nandrolone phenpropionate, 19Ntpp, Durabolin (TN), nandrolone phenylpropionate, Nadrolone phenylpropionate, Nandrolon phenylpropionate, Nandrolone Phenylpionate, Norandrolone phenyl propionate, Nortestosterone phenylpropionate, Norandrostenolone phenylpropionate, Norandrolone phenylpropionate

Molecular Formula:	C₂₇H₃₄O₃	Molecular Weight:	406.557060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UBWXUGDQUBIEIZ-QNTYDACNSA-N

• Naphazoline nitrate

IUPAC Name: 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole; nitric acid | CAS Registry Number: 5144-52-5
Synonyms: Privine, Privine (TN), Naphazoline nitrate (JP15), EINECS 233-197-9, beta-NAPHTHYLMETHYL-1'-IMIDAZOLINENITRATE, D01021, 4,5-Dihydro-2-(1-naphthylmethyl)-1H-imidazolium nitrate, 10061-11-7

Molecular Formula:	C₁₄H₁₅N₃O₃	Molecular Weight:	273.287200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: ZAHXYMFVNNUHCP-UHFFFAOYSA-N

• Naphthol AS-BL

IUPAC Name: 2-hydroxy-N-phenyl-9H-carbazole-3-carboxamide | CAS Registry Number: 94212-15-4
Synonyms: AGN-PC-000P5Y, CTK3I5603, 2-Hydroxycarbazole-3-carboxanilide, 9H-Carbazole-3-carboxamide, 2-hydroxy-N-phenyl-

Molecular Formula:	C₁₉H₁₄N₂O₂	Molecular Weight:	302.326660 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: XDCTVFJNJVPBOF-UHFFFAOYSA-N

• Naphthol AS-L4G

IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-oxobutanamide | CAS Registry Number: 4273-88-5
Synonyms: Naphtoelan, Naphtazol JLE, Cibanaphthol LT4G, Naphtol AS-L4G, Daito Grounder L4G, Naphthol AS-L 4G, Amanil Naphthol AS-L4G, Azoic coupling component 9, NSC59998, AIDS125051, AIDS-125051, EINECS 224-269-0, NSC 59998, C.I. 37625, Butanamide, N-(6-ethoxy-2-benzothiazolyl)-3-oxo-, Acetoacetamide, N-(6-ethoxy-2-benzothiazolyl)-, ST5443247, N-(6-Ethoxybenzothiazol-2-yl)acetoacetamide, N-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-oxobutanamide, Acetoacetamide, N-(6-ethoxy-2-benzothiazolyl)- (8CI)

Molecular Formula:	C₁₃H₁₄N₂O₃S	Molecular Weight:	278.326860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: GXFGVXXEQKKDGE-UHFFFAOYSA-N

• Naphthyl glycidyl ether

IUPAC Name: 2-(naphthalen-1-yloxymethyl)oxirane | CAS Registry Number: 2461-42-9
Synonyms: 1-Naphthyl glycidyl ether, Glycidyl 1-naphthyl ether, ((Naphthyloxy)methyl)oxirane, CCRIS 2069, NSC 632, NSC632, EINECS 219-555-7, Ether, 2,3-epoxypropyl 1-naphthyl, Naphthalene, 1-(2,3-epoxypropoxy)-, Oxirane, ((1-naphthalenyloxy)methyl)-, BRN 0160552, 3-(1-Naphthoxy)-1,2-epoxypropane, Oxirane, [(1-naphthalenyloxy)methyl]-, LS-94674, 1,2-EPOXY-3-(1-NAPHTHYLOXY)PROPANE, 5-17-03-00019 (Beilstein Handbook Reference)

Molecular Formula:	C₁₃H₁₂O₂	Molecular Weight:	200.233180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QYYCPWLLBSSFBW-UHFFFAOYSA-N

• Naringin dihydrochalcone

IUPAC Name: 1-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one | CAS Registry Number: 18916-17-1
Synonyms: naringin dihydrochalcone, STL146756, AKOS005747125, MCULE-1196320892, A813304, I06-0220, 1-[4-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-oxanyl]oxy]-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone, 1-[4-[6-(hydroxymethyl)-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one, 3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 2-O-(6-deoxyhexopyranosyl)hexopyranoside

Molecular Formula:	C₂₇H₃₄O₁₄	Molecular Weight:	582.550460 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	14

InChIKey: CWBZAESOUBENAP-UHFFFAOYSA-N

• Natamycin

Synonyms: pimaricin, NATAMYCIN, Natamycin preparation, Pimaricin preparation, MLS000759475, P0440_SIGMA, P9703_SIGMA, 80482_FLUKA, SMR000466358, (1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.0~5,7~]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid

Molecular Formula:	C₃₃H₄₇NO₁₃	Molecular Weight:	665.725180 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	14

InChIKey: NCXMLFZGDNKEPB-FFPOYIOWSA-N

• Nateglinide

IUPAC Name: (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid | CAS Registry Number: 105816-04-4
Synonyms: nateglinide, Starlix, Starsis, Fastic, Trazec, Ambap5430, MLS000759500, MLS001424043, SDZ-DJN-608, DJN-608, YM-026, AY-4166, CPD000466372, SAM001246721, SMR000466372, TL8000218, A-4166, N-{[trans-4-(propan-2-yl)cyclohexyl]carbonyl}-D-phenylalanine

Molecular Formula:	C₁₉H₂₇NO₃	Molecular Weight:	317.422580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: OELFLUMRDSZNSF-OFLPRAFFSA-N

• NBTGR

IUPAC Name: (2R,3R,4S,5R)-2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 13153-27-0
Synonyms: 7-Nbtgf, p-NBTGR, Nitrobenzylthioguanosine, Nitrobenzylthioguanine formycin, 6-(p-Nitrobenzylthio)guanosine, 6-(4-Nitrobenzylthio)guanosine, CID96048, S-(4-Nitrobenzyl)-6-thioguanosine, NSC 49813, ZINC04261942, NCGC00162042-01, NCGC00162042-02, ST059437, 2-Amino-6-((4-nitrobenzyl)thio)-9-beta-D-ribofuranosylpurine, 6-(((4-Nitrophenyl)methyl)thio)-9-beta-D-ribofuranosyl-9H-purin-2-amine, 5-Amino-7-((4-nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine, 9H-Purin-2-amine, 6-(((4-nitrophenyl)methyl)thio)-9-beta-D-ribofuranosyl- (9CI), (1S)-1-C-(5-Amino-7-(((4-nitrophenyl)methyl)thio)-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-D-ribitol, 129970-97-4, D-Ribitol, 1-C-(5-amino-7-(((4-nitrophenyl)methyl)thio)-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-, (1S)-

Molecular Formula:	C₁₇H₁₈N₆O₆S	Molecular Weight:	434.426420 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	11

InChIKey: BRSNNJIJEZWSBU-XNIJJKJLSA-N

• Nefazodone

IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-[2-(phenoxy)ethyl]-1,2,4-triazol-3-one | CAS Registry Number: 83366-66-9
Synonyms: nefazodone, Serzone, Nefazodone Hcl, Nefazodonum [Latin], Nefazodona [Spanish], Nefazodone [INN:BAN], C25H32ClN5O2, MLS000759458, MLS001165769, MLS001195657, NEFAZODONE HYDROCHLORIDE, CHEBI:7494, CID4449, DB01149, KS-1088, NCGC00165846-01, NCGC00165846-02, SMR000449297, SMR000550487, LS-156497

Molecular Formula:	C₂₅H₃₂ClN₅O₂	Molecular Weight:	470.006880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: VRBKIVRKKCLPHA-UHFFFAOYSA-N

• Nefiracetam

IUPAC Name: N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide | CAS Registry Number: 77191-36-7
Synonyms: Translon, Motiva, Nefiracetam [INN], DMPPA, Nefiracetamum [INN-Latin], CCRIS 6729, DZL-221, C14H18N2O2, CID71157, DM 9384, DM-9384, BRN 6848330, 2-Oxo-1-pyrrolidineaceto-2',6'-xylidide, LS-7539, N-(2,6-Dimethylphenyl)-2-oxo-1-pyrrolidineacetamide, 1-Pyrrolidineacetamide, N-(2,6-dimethylphenyl)-2-oxo-, N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide, N-(2,6-dimethylphenyl)-2-(2-oxo-1-pyrrolidinyl)acetamide

Molecular Formula:	C₁₄H₁₈N₂O₂	Molecular Weight:	246.304920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NGHTXZCKLWZPGK-UHFFFAOYSA-N

• Neodecanoyl Chloride

IUPAC Name: 7,7-dimethyloctanoyl chloride | CAS Registry Number: 40292-82-8
Synonyms: Neodecanoic chloride, Neodecanoyl chloride, EINECS 254-875-0, LS-96051

Molecular Formula:	C₁₀H₁₉ClO	Molecular Weight:	190.710260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WOFMVUZGDHWHLJ-UHFFFAOYSA-N

• Neohesperidin

IUPAC Name: (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one | CAS Registry Number: 13241-33-3
Synonyms: AIDS011989, AIDS-011989, NSC31048, CID457806, 4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-,(2S)-

Molecular Formula:	C₂₈H₃₄O₁₅	Molecular Weight:	610.560560 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	15

InChIKey: ARGKVCXINMKCAZ-QJBIFVCTSA-N

• Neopentylamine

IUPAC Name: 2,2-dimethylpropan-1-amine | CAS Registry Number: 5813-64-9
Synonyms: 2,2-Dimethylpropylamine, neo-C5H11NH2, 2,2-dimethylpropan-1-amine, 2,2-Dimethyl-1-propylamine, 1-Propanamine, 2,2-dimethyl-, EINECS 227-378-1, NSC 165660, CID79882, NSC165660, 1-Propanamine, 2,2-dimethyl- (9CI), LS-184950, InChI=1/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H, NPT

Molecular Formula:	C₅H₁₃N	Molecular Weight:	87.163420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: XDIAMRVROCPPBK-UHFFFAOYSA-N

• Nequinate

IUPAC Name: methyl 6-butyl-4-oxo-7-(phenylmethoxy)-1H-quinoline-3-carboxylate | CAS Registry Number: 13997-19-8
Synonyms: Methyl benzoquate, NEQUINATE, Nequinate (USAN), Nequinate [USAN:INN], Nequinatum [INN-Latin], Nequinato [INN-Spanish], AIDS008308, AIDS-008308, EINECS 237-796-6, ICI 55052, ICI 55,052, NCGC00181762-01, AY 20385, AI3-52600, AY 20,385, D05144, 3-Quinolinecarboxylic acid, 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-, methyl ester, Methyl 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-3-quinolinecarboxylate, 6-Butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-3-quinolinecarboxylic acid methyl ester

Molecular Formula:	C₂₂H₂₃NO₄	Molecular Weight:	365.422320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: NNOPDLNHPOLRRE-UHFFFAOYSA-N

• Netilmicin sulfate

IUPAC Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid | CAS Registry Number: 56391-57-2
Synonyms: Netromycin, Certomycin, Zetamicin, Netillin, Nettacin, Netromicine, NTL sulfate, NETILMICIN SULFATE, Netromycin (TN), Netilmicin sulfate [USAN:JAN], Sch 20569, Sch-20569, EINECS 260-147-3, Netilmicin sulfate (JP15/USP), 2C21H41N5O7.5H2O4S, LS-147006, D00867, D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1->6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1->4))-2-deoxy-N(sup 1)-ethyl-, sulfate (2:5) (salt), d-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-l-arabinopyranosyl-(1.6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1.4))-2-deoxy-N1-ethyl-, sulfate (2:5) (salt), O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1->4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1->6))-2-deoxy-N(sup 3)-ethyl-L-streptamine sulfate (2:5) (salt)

Molecular Formula:	C₄₂H₉₂N₁₀O₃₄S₅	Molecular Weight:	1441.551480 [g/mol]
H-Bond Donor:	26	H-Bond Acceptor:	44

InChIKey: AGFWIZQEWFGATK-UNZHCMSXSA-N

• Neville Winther's Acid

IUPAC Name: 4-hydroxynaphthalene-1-sulfonic acid | CAS Registry Number: 84-87-7
Synonyms: NW Acid, Neville-winther acid, 1,4-Oxy Acid, Met-RANTES, Nevile and Winther's acid, 1-Naphtho-4-sulfonic acid, alpha-Naphthol-4-sulfonic acid, 1-NAPHTHOL-4-SULFONIC ACID, 1-Hydroxy-4-naphthalenesulfonic acid, 4-Hydroxy-1-naphthalenesulfonic acid, CID6791, NSC9587, .alpha.-Naphthol-4-sulfonic acid, NSC 9587, 1-Naphthalenesulfonic acid, 4-hydroxy-, EINECS 201-568-4, 1-Hydroxynaphthalene-4-sulfonic acid, 4-Hydroxynaphthalene-1-sulphonic acid, 1-Naphthalenesulfonic acid, 4-hydroxy-, monopotassium salt, 37860-62-1

Molecular Formula:	C₁₀H₈O₄S	Molecular Weight:	224.233120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: HGWQOFDAUWCQDA-UHFFFAOYSA-N

• Nevirapine

Synonyms: nevirapine, Viramune, 1vrt, 2hny, Viramune (TN), Nevirapine [USAN:INN], Nevirapine+PRO 140, Nevirapine & CD4-IgG, BI-RG-587, Promeco Brand of Nevirapine, BIRG587, Nevirapine (JAN/USP/INN), BIRG 0587, HSDB 7164, MLS000084585, MLS000759409, MLS001055309, MLS001201730, BIRG 587, BIRG-587

Molecular Formula:	C₁₅H₁₄N₄O	Molecular Weight:	266.297860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: NQDJXKOVJZTUJA-UHFFFAOYSA-N

• NH2-C5-NH-Boc

IUPAC Name: tert-butyl N-(5-aminopentyl)carbamate | CAS Registry Number: 51644-96-3
Synonyms: N-Boc-1,5-diaminopentane, N-Boc-cadaverine, tert-Butyl N-(5-aminopentyl)carbamate, N-Boc-1,5-pentanediamine, N-(5-Aminoamyl)carbamic Acid tert-Butyl Ester, tert-butyl(5-aminopentyl)carbamate, N-(tert-Butoxycarbonyl)-1,5-diaminopentane, ST51012422, AC1L1HYY, AC1Q5XRP, ACMC-209kv6, 15406_ALDRICH, 15406_FLUKA, CTK3J6228, MolPort-000-001-780, ANW-31312, AR-1L6139, AKOS007930261, AG-B-36234, MCULE-2052803722

Molecular Formula:	C₁₀H₂₂N₂O₂	Molecular Weight:	202.293880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DPLOGSUBQDREOU-UHFFFAOYSA-N

• Nicarbazin

IUPAC Name: 1,3-bis(4-nitrophenyl)urea; 4,6-dimethyl-1H-pyrimidin-2-one | CAS Registry Number: 330-95-0
Synonyms: Nicarbazine, Nicrazine, Nicrazin, Nicoxin, Nirazin, Nicarb, Nicarbasin, Nicarbazin [BAN], MK 75, MK 75 (VAN), NSC 7171, EINECS 206-359-1, HSDB 7466, CID9507, NSC7171, AIDS167618, AIDS-167618, C13H10N4O5.C6H8N2O, AI3-60130, LS-51581

Molecular Formula:	C₁₉H₁₈N₆O₆	Molecular Weight:	426.382820 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: UKHWDRMMMYWSFL-UHFFFAOYSA-N

• NICKEL (II) SULFATE

IUPAC Name: nickel(2+);sulfate | CAS Registry Number: 15244-37-8
Synonyms: NICKEL SULFATE, Nickel sulphate, Nickel(II) sulfate, Nickel(2+) sulfate, Nickel sulfate(1:1), Nickelous sulfate, NiSO4, Nickel(II) sulfate (1:1), Caswell No. 596, Nickel sulfate (VAN), Nickel sulfate (NiSO4), UNII-4FLT4T3WUN, Nickel sulphate hexahydrate, Nickel(2+)sulfate(1:1), Nickelous sulfate hexahydrate, Nickel monosulfate hexahydrate, CCRIS 3732, Sulfuric acid nickel(2+) salt, Sulfuric acid, nickel(2+)salt, 7786-81-4

Molecular Formula:	NiO₄S	Molecular Weight:	154.756000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: LGQLOGILCSXPEA-UHFFFAOYSA-L

• Nicotinamide hydroiodide

IUPAC Name: pyridine-3-carboxamide hydroiodide | CAS Registry Number: 3726-23-6
Synonyms: Nicotinamide monohydroiodide, CID77316, EINECS 223-081-6, 3-Pyridinecarboxamide, monohydriodide, 7558-85-2

Molecular Formula:	C₆H₇IN₂O	Molecular Weight:	250.037050 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ITWGXEQHZZFQES-UHFFFAOYSA-N

• Nicotine Alkaloid

IUPAC Name: 3-(1-methylpyrrolidin-2-yl)pyridine | CAS Registry Number: 22083-74-5
Synonyms: nicotine, Black leaf, Nicocide, Nicotin, Nikotin, Tendust, L-Nicotine, Nicotine alkaloid, Nico-dust, Fumetobac, Nicotina, Nikotyna, Emo-nik, Nico-Fume, Mach-Nic, Nic-Sal, (-)-Nicotine, (R,S)-Nicotine, destruxol, Habitrol

Molecular Formula:	C₁₀H₁₄N₂	Molecular Weight:	162.231560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SNICXCGAKADSCV-UHFFFAOYSA-N

• Nifursol

IUPAC Name: 2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide | CAS Registry Number: 16915-70-1
Synonyms: Histomon, Salfuride, Sulfuride, NIFURSOL, Nifursolo [DCIT], Nifursol (USAN), Nifursolum [INN-Latin], Nifursol [USAN:BAN:INN], EINECS 240-963-6, NCGC00160555-01, ST011963, LS-144324, D05166, 3,5-Dinitrosalicylic acid (5-nitrofurfurylidene)hydrazide, Salicylic acid, 3,5-dinitro-(5-nitrofurfurylidene)hydrazide, Benzoic acid, 2-hydroxy-3,5-dinitro-, ((5-nitro-2-furanyl)methylene)hydrazide

Molecular Formula:	C₁₂H₇N₅O₉	Molecular Weight:	365.212080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: XXUXXCZCUGIGPP-WLRTZDKTSA-N

• Nimesulide

IUPAC Name: N-[4-nitro-2-(phenoxy)phenyl]methanesulfonamide | CAS Registry Number: 51803-78-2
Synonyms: nimesulide, Mesulid, Aulin, Nimed, Antifloxil, Flogovital, Sulidene, Guaxan, Eskaflam, Orthobid, Redaflam, Aldoron, Nimedex, Nimesil, Nisulid, Nexen, Nise Gel, Prestwick_618, Ambap693, Nimesulide [BAN:INN]

Molecular Formula:	C₁₃H₁₂N₂O₅S	Molecular Weight:	308.309780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: HYWYRSMBCFDLJT-UHFFFAOYSA-N

• Nimodipine

IUPAC Name: 5-O-(2-methoxyethyl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 66085-59-4
Synonyms: nimodipine, Nimotop, Periplum, Admon, Remontal, Brainal, Kenesil, Calnit, Modus, Nimodipin Hexal, NimodipinISIS, Nimodipin ISIS, Nimodipin-ISIS, Nimodipino Bayvit, Nimotop(TM), nchembio.79-comp6, Nimodipinum [INN-Latin], Nimodipino [INN-Spanish], Spectrum_001880, SpecPlus_000716

Molecular Formula:	C₂₁H₂₆N₂O₇	Molecular Weight:	418.440340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: UIAGMCDKSXEBJQ-UHFFFAOYSA-N

• Nimorazole

IUPAC Name: 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine | CAS Registry Number: 6506-37-2
Synonyms: Naxogin, Nitrimidazine, Nimorazol, Acterol, Esclama, Naxofem, Nulogyl, Acterol forte, Sirledi, Nimorazolo [DCIT], Nimorazole (INN), Naxogin (TN), Nimorazole [BAN:INN], Nimorazol [INN-Spanish], Nimorazolum [INN-Latin], N-2-Morpholinoethyl-5-nitroimidazole, C9H14N4O3, EINECS 229-394-4, NSC 107524, 1-(2-N-Morpholinylethyl)-5-nitroimidazole

Molecular Formula:	C₉H₁₄N₄O₃	Molecular Weight:	226.232460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: MDJFHRLTPRPZLY-UHFFFAOYSA-N

• Nitrendipine

IUPAC Name: 3-O-ethyl 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 39562-70-4
Synonyms: nitrendipine, Baypress, Bayotensin, Nidrel, Nitrendimerck, Baylotensin, Nitregamma, Nitrendepat, Nitrendidoc, Nitrendipin, Nitrepress, Tensogradal, Vastensium, Balminil, Baypresol, Jutapress, Nitrensal, Trendinol, Gericin, Niprina

Molecular Formula:	C₁₈H₂₀N₂O₆	Molecular Weight:	360.361200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: PVHUJELLJLJGLN-UHFFFAOYSA-N

• Nitrobenzylthioinosine

IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol | CAS Registry Number: 38048-32-7
Synonyms: NBMPR, NBTI, 4-Nitrobenzylthioinosine, 6-(p-Nitrobenzylthio)inosine, S-(4-Nitrobenzyl)-6-thioinosine, MLS002153144, N2255_SIGMA, EINECS 253-753-4, AIDS210779, NSC 296962, AIDS-210779, BRN 1191080, ZINC02097863, NCGC00162270-01, SMR001230641, LS-127127, ST5298836, 6-((4-Nitrobenzyl)thio)-9-beta-D-ribofuranosylpurine, 6-[(4-Nitrobenzyl)thio]-9-beta-D-ribofuranosylpurine, 6-(((4-Nitrophenyl)methyl)thio)-9-beta-D-ribofuranosyl-9H-purine

Molecular Formula:	C₁₇H₁₇N₅O₆S	Molecular Weight:	419.411780 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	10

InChIKey: DYCJFJRCWPVDHY-LSCFUAHRSA-N

• Nitroxynil

IUPAC Name: 4-hydroxy-3-iodo-5-nitrobenzonitrile | CAS Registry Number: 1689-89-0
Synonyms: Nitroxinil, Dovenix, Trodax, Nitroxinil [INN], Nitroxinilum [INN-Latin], Nitroxinilo [INN-Spanish], CCRIS 5743, C7H3IN2O3, 34088_RIEDEL, 4-Hydroxy-3-iodo-5-nitrobenzonitrile, EINECS 216-884-8, BRN 2213717, LS-38721, STT-00318812, BENZONITRILE, 4-HYDROXY-3-IODO-5-NITRO-

Molecular Formula:	C₇H₃IN₂O₃	Molecular Weight:	290.014790 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: SGKGVABHDAQAJO-UHFFFAOYSA-N

• Nizatidine

IUPAC Name: (E)-1-N-[2-[[2-(dimethylaminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N'-methyl-2-nitroethene-1,1-diamine | CAS Registry Number: 76963-41-2
Synonyms: nizatidine, Acinon, Axid, Zanizal, Nizax, Calmaxid, Cronizat, Distaxid, Galitidin, Naxidine, Antizid, Gastrax, Nizaxid, Panaxid, Ulcosol, Tazac, Ulxid, Zinga, Splendil ER, Axid Ar

Molecular Formula:	C₁₂H₂₁N₅O₂S₂	Molecular Weight:	331.457440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: SGXXNSQHWDMGGP-IZZDOVSWSA-N

• NLRP3-IN-2

IUPAC Name: 5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide | CAS Registry Number: 16673-34-0
Synonyms: Oprea1_786605, Oprea1_846330, 463442_ALDRICH, IFLab1_000209, CID85542, EINECS 240-722-5, BAS 00498400, IDI1_008428, ST5232470, 5-Chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, 5-Chloro-2-methoxy-N-[2-(4-sulfamoyl-phenyl)-ethyl]-benzamide, N-(2-(4-(Aminosulphonyl)phenyl)ethyl)-5-chloro-2-methoxybenzamide

Molecular Formula:	C₁₆H₁₇ClN₂O₄S	Molecular Weight:	368.835180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: KVWWTCSJLGHLRM-UHFFFAOYSA-N

• Nolatrexed dihydrochloride

IUPAC Name: 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-1H-quinazolin-4-one dihydrochloride | CAS Registry Number: 152946-68-4
Synonyms: Thymitaq, Nolatrexed, AG 337, AG-337, LS-186985, 2-Amino-6-methyl-5-(4-pyridinylthio)-4(1H)-quinazolinone dihydrochloride, 4(1H)-Quinazolinone, 2-amino-6-methyl-5-(4-pyridinylthio)-, dihydrochloride, 3,4-Dihydro-2-amino-6-methyl-4-oxo-5-(4-pyridylthio)quinazoline dihydrochloride

Molecular Formula:	C₁₄H₁₄Cl₂N₄OS	Molecular Weight:	357.258160 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: PJKVJJYMWOCLIJ-UHFFFAOYSA-N

• Nomilin

Synonyms: Limonoid, AIDS002684, AIDS-002684, CID72320, NSC297134, NSC 297134, AI3-37935, C08773, 1-(Acetyloxy)-1,2-dihydroobacunoic acid eta-lactone, 1-(Acetyloxy)-1,2-dihydroobacunoic acid .epislon.-lactone, Obacunoic acid, 1-(acetyloxy)-1,2-dihydro-, eta-lactone

Molecular Formula:	C₂₈H₃₄O₉	Molecular Weight:	514.564160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	9

InChIKey: KPDOJFFZKAUIOE-WNGDLQANSA-N

• Nonivamide

IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide | CAS Registry Number: 2444-46-4
Synonyms: Pseudocapsaicin, N-Vanillylnonanamide, N-Vanillylnonamide, N-Vanillylpelargonamide, Nonylvanylamide, Capsaicin, NONIVAMIDE, Vanillyl-N-nonylamide, Nonivamide [INN], Vanillyl n-nonoylamide, Pelargonyl vanillylamide, Capsaicin synthetic, N-Nonanoyl vanillylamide, Pelargonic acid vanillylamide, Nonanoic acid vanillylamide, Nonoyl vanillylamide, Nonanamide, N-vanillyl-, Vanillyl pelargonic amide, N-vanillyl nonanamide, Nonanoyl vanillylamide

Molecular Formula:	C₁₇H₂₇NO₃	Molecular Weight:	293.401180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: RGOVYLWUIBMPGK-UHFFFAOYSA-N

• Norepinephrine

IUPAC Name: 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol | CAS Registry Number: 51-41-2
Synonyms: norepinephrine, noradrenaline, L-Noradrenaline, Arterenol, Levarterenol, L-Norepinephrine, L-arterenol, Levophed, Adrenor, Aktamin, Levonor, Levonoradrenaline, Sympathin E, (-)-Norepinephrine, Levoarterenol, Noradrenalinum, Norepirenamine, Noradrenalin, Norartrinal, Levonorepinephrine

Molecular Formula:	C₈H₁₁NO₃	Molecular Weight:	169.177840 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: SFLSHLFXELFNJZ-QMMMGPOBSA-N

• Norethindrone

IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 68-22-4
Synonyms: norethindrone, Norethisterone, Micronor, Norethisteron, Primolut-N, 19-Norethisterone, Noresthisterone, Anovulatorio, Norethadrone, Norethyndron, Norethynodron, Norethynodrone, Ciclovulan, Micronovum, Proluteasi, Brevicon, Conludaf, Conludag, Estrinor, Microneth

Molecular Formula:	C₂₀H₂₆O₂	Molecular Weight:	298.419240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: VIKNJXKGJWUCNN-XGXHKTLJSA-N

• Norethindrone Acetate

IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate | CAS Registry Number: 51-98-9
Synonyms: Norlestrin, Norlutate, Aygestin, Orlutate, Norethindrone acetate, Norlutin acetate, Primolut-Nor, Combipatch, Gestakadin, Milligynon, Activella, Loestrin, Miniphase, Monogest, Progylut, Milli-Anovlar, Norlutin A, Norlutine acetate, Norethisterone acetate, Norethisteron acetate

Molecular Formula:	C₂₂H₂₈O₃	Molecular Weight:	340.455920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: IMONTRJLAWHYGT-ZCPXKWAGSA-N

• Noreximide

Synonyms: Norendimide, Oprea1_059544, 5-Norbornene-2,3-dicarboximide, NSC31977, NSC31978, NSC53245, 5-Norbornene-2,3-dicarboximide, cis-endo-, 5-Norbornene-endo-2,3-dicarboximide, NSC147237, STK246607, 3,6-Endomethylenetetrahydrophthalimide, NSC 147237, NCGC00160680-01, Norborn-5-ene-2,3-cis-exo-dicarboximide, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboximide, K 2154, K-2154, cis-3,6-Endomethylene-delta4-tetrahydrophthalimide, 3,6-Endomethylene-4-cyclohexene-1,2-dicarboximide, 3,6-Endomethylenephthalimide, 1,2,3,4-tetrahydro-

Molecular Formula:	C₉H₉NO₂	Molecular Weight:	163.173260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GPIUUMROPXDNRH-UHFFFAOYSA-N

• Norfloxacin

IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid | CAS Registry Number: 70458-96-7
Synonyms: norfloxacin, Noroxin, Chibroxin, Baccidal, Sebercim, Barazan, Fulgram, Norfloxacine, Lexinor, Norflo, Prestwick_633, Noroxin (TN), nchembio820-comp2, NFLX, Spectrum_001017, Norfloxacine [INN-French], Norfloxacinum [INN-Latin], Norfloxacino [INN-Spanish], Prestwick0_000221, Prestwick1_000221

Molecular Formula:	C₁₆H₁₈FN₃O₃	Molecular Weight:	319.330823 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: OGJPXUAPXNRGGI-UHFFFAOYSA-N