IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C(C)CO)CC(C)C(CN(C)CC2CC2)OCCCCC(C)O3)cc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: 1-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea is a lactam and an azamacrocycle.
Molecule SMILES: CC(=O)OCC12C(O)C(=O)C(C)C(C)(CCc3ccoc3)C1CCC(OC(C)=O)C21CO1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: [(3S,4R,4aR,5R,7S,8R,8aR)-3-acetyloxy-8-[2-(furan-3-yl)ethyl]-5-hydroxy-7,8-dimethyl-6-oxospiro[1,2,3,5,7,8a-hexahydronaphthalene-4,2'-oxirane]-4a-yl]methyl acetate is a natural product found in Teucrium oliverianum with data available.
Molecule SMILES: CCCCCCCCCCCc1nc(=N)n2c(c1C(=O)OCCCCN=C(N)N)CCC2

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: Dehydrocrambine A is a natural product found in Monanchora with data available.
Molecule SMILES: CC(=O)OCC12C(=O)C(O)C(C)C3(CC(c4ccoc4)OC3=O)C1CCCC21CO1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: CID 163036187 is a natural product found in Teucrium polium and Teucrium capitatum with data available.
Molecule SMILES: CCCC(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CO)Cc1ccccc1)C(C)CC

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: Acidiphilamide A is a natural product found in Streptacidiphilus rugosus with data available.
Molecule SMILES: C=CC1(C)CCC2=C(CCC3(C)C(C)(C(=O)O)CCCC23C)C1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: (1R,4aR,7S,10aR)-7-ethenyl-1,4a,7,10a-tetramethyl-2,3,4,5,6,8,9,10-octahydrophenanthrene-1-carboxylic acid is a natural product found in Platycladus orientalis with data available.
Molecule SMILES: COc1ccc(CC2NC(=O)C=CCC(C(C)C3OC3c3ccccc3)OC(=O)C(CC(C)C)OC(=O)CCNC2=O)cc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Arenastatin A is a natural product found in Dysidea arenaria and Nostoc with data available.
Molecule SMILES: CCCCCCC(O)CC=CCCCCCCCc1cc(O)cc(O)c1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: 5-[(11S)-11-hydroxyheptadec-8-enyl]benzene-1,3-diol is a natural product found in Stylogyne turbacensis with data available.
Molecule SMILES: C=C(C)C1CC=C(C)C(O)C(O)C=C(C)CC1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: (1R,2R,3E,6S,9E)-3,9-dimethyl-6-prop-1-en-2-ylcyclodeca-3,9-diene-1,2-diol is a natural product found in Datura stramonium with data available.
Molecule SMILES: COc1cc(C=CCO)cc(OC)c1OC(C)C(O)c1cc(OC)c(OC2OC(CO)C(O)C(O)C2O)c(OC)c1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: (2S,3R,4S,5S,6R)-2-[4-[(1R,2R)-1-hydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propyl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Picrasma quassioides with data available.
Molecule SMILES: COC(=O)c1cc(OC)c2c(=O)c3c(oc2c1)CC(C)(O)OC3

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: Phomopsinin C is a natural product found in Phomopsis with data available.
Molecule SMILES: C=C1C(=O)OC2C=C(C)C(OC(C)=O)CC=C(C)CC(OC(=O)C=C(C)CO)C12

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: [(3aR,4R,6E,9S,10Z,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-3-methylbut-2-enoate is a natural product found in Schkuhria pinnata with data available.
Molecule SMILES: C[N+](C)(CCOc1ccccc1)Cc1ccccc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: Bephenium is an aromatic amine.
Molecule SMILES: COC(=O)C1=C2Nc3ccccc3C23CCN2CC4(CC5CC67CCOC6CCN6CCC8(c9cccc(OC)c9N(C4)C58)C67)C4OCCC4(C1)C23

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: methyl (1R,11'R,12R,16S,17R,22R,24'S,25'R)-19'-methoxyspiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate is a natural product found in Callichilia barteri with data available.
Molecule SMILES: [N-]=[N+]=NCc1ccccc1CC1(C(=O)N2CCOCC2)N=C(c2ccc(OCCCO)cc2)OC1c1ccccc1N=[N+]=[N-]

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: [(4R,5R)-4-[[2-(azidomethyl)phenyl]methyl]-5-(2-azidophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazol-4-yl]-(4-morpholinyl)methanone is a member of amphetamines.
Molecule SMILES: COc1c(O)cccc1C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: 3-Hydroxy-2-methoxybenzoic acid is a natural product found in Populus euphratica with data available.
Molecule SMILES: C=C1OC(=O)c2c(O)cc(O)c(Cc3c(O)cc(C)oc3=O)c2C1C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Lycopodiellactone is a natural product found in Paraphaeosphaeria neglecta with data available.
Molecule SMILES: CC(C)=CCCC1=CC(c2c(O)cc3c(c2O)C(=O)CC(c2ccc(O)cc2O)O3)C(C(=O)c2ccc(O)cc2O)C(c2ccc(O)cc2O)C1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: 6-[6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one is a natural product found in Morus mongolica and Morus alba with data available.
Molecule SMILES: CC(=CC=CCC(C)C(CC(=O)O)OC1OC(CO)C(O)C(O)C1O)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 2,7-Dimethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydeca-2,4-dienedioic acid is a natural product found in Vicia faba with data available.
Molecule SMILES: O=C(C=Cc1ccccc1)OCCCc1ccccc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: 3-Phenylpropyl cinnamate is a cinnamate ester.
Molecule SMILES: O=c1c(OC2C(O)C(O)OC(CO)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxychromen-4-one is a natural product found in Metrosideros polymorpha with data available.
Molecule SMILES: C=C1CCC2C(C)(C)CCCC2(C)C1CC(O)C1=CC(OC)OC1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: (2S)-4-[(1S)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-2-methoxy-2H-furan-5-one is a natural product found in Aframomum sceptrum with data available.
Molecule SMILES: CC1(C)C=C2C(CO)C(CO)CCC(C)(O)C2C1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 6beta,11,12-Trihydroxytremul-1(10)-ene is a natural product found in Phellinus igniarius with data available.
Molecule SMILES: CC1OC(OC2C(OC(=O)C34CCC(C)C(C)(O)C3C3=CCC5C6(C)CCC(OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aS,10S,12aR,14bR)-1-hydroxy-10-[(2S,3R,4S,5S)-5-hydroxy-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate is a natural product found in Ilex crenata with data available.
Molecule SMILES: COc1cc(O)c(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2C(O)C=C(C)C)cc1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: 2-(2,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(1S)-1-hydroxy-3-methylbut-2-enyl]-8-(3-methylbut-2-enyl)chromen-4-one is a natural product found in Artocarpus elasticus with data available.
Molecule SMILES: Cc1cc(C(=O)Nc2cccc3c2OC(CN(C)C(=O)Nc2cccc4ccccc24)C(C)CN(C(C)CO)C3=O)n(C)n1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide is a member of naphthalenes.
Molecule SMILES: CC=C(C)C(=O)OC1CC2=CC3(O)OC(=O)C(C)=C3CC2(C)C(C)C1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: [(4aR,5S,7R,9aR)-9a-hydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-7-yl] 2-methylbut-2-enoate is a natural product found in Synotis erythropappa with data available.
Molecule SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCCC

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: 1-oleoyl-2-stearoyl-sn-glycero-3-phosphate(2-) is a 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-oleoyl-2-stearoyl-sn-glycero-3-phosphate. It is a conjugate base of a 1-oleoyl-2-stearoyl-sn-glycero-3-phosphate.
Molecule SMILES: CC=C(C)C=C(C)C=C(C)CC(C)CCC=CC(=O)C1=CC(=CC(C)C)NC1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (5Z)-5-(2-methylpropylidene)-3-[(2E,6R,8E,10E,12E)-6,8,10,12-tetramethyltetradeca-2,8,10,12-tetraenoyl]-2,5-dihydro-1H-pyrrol-2-one is compound 5 in ref.
Molecule SMILES: COC1OC(CO)C(O)C(O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Methyl alpha-D-mannoside is a methyl mannoside having alpha-configuration at the anomeric centre. It is a methyl mannoside and an alpha-D-mannoside.
Molecule SMILES: COC1OC(CO)C(O)C(O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: Methyl alpha-D-mannopyranoside is a natural product found in Lilium tenuifolium and Lilium pumilum with data available.
Molecule SMILES: CC1OC(=O)C(c2cc(O)cc(O)c2)NC(=O)C(c2cc(O)cc(O)c2)NC(=O)C(CO)NC(=O)C(Cc2ccccc2)NC(=O)C1NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)[nH]1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: N-[(2S)-1-[[(3S,6R,9R,12S,15R,16R)-12-Benzyl-3,6-bis(3,5-dihydroxyphenyl)-9-(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrole-2-carboxamide is a natural product found in Microbispora with data available.
Molecule SMILES: CCCNC(=O)N(C)CC1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N(C(C)CO)CC1C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: 1-[[(2S,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea is an aromatic ether.
Molecule SMILES: Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: Proquazone is a member of pyrimidines.
Molecule SMILES: COc1cc(C=CCc2ccccc2C(=O)O)ccc1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]benzoic acid is a natural product found in Populus tremuloides with data available.
Molecule SMILES: CC=CC(=O)OC1C(C)(C)C(CC(=O)OC)C2(C)C(=O)C1(O)C1OC13C2=CCC1(C)C(c2ccoc2)OC(=O)CC13

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: Trichinenlide B is a natural product found in Heynea velutina with data available.
Molecule SMILES: Cn1c(=O)c2[nH]c(N3CCN(c4ccccc4)CC3)nc2n(C)c1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: 1,3-dimethyl-8-(4-phenyl-1-piperazinyl)-7H-purine-2,6-dione is a member of piperazines.
Molecule SMILES: CC1CCCCOC(CN(C)C(=O)CCCN(C)C)C(C)CN(C(C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: 4-(dimethylamino)-N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide is an azamacrocycle and a lactam.
Molecule SMILES: COc1c2c(cc3c1OCO3)C13C=CC(OC)CC1N(C2)CC3OC(C)=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: [(1R,13R,15R,18S)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-yl] acetate is a natural product found in Nerine bowdenii with data available.
Molecule SMILES: CC=CC=CCCC=CC(=O)NCC(C)CC

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: (2E,6Z,8E)-N-[(2S)-2-methylbutyl]deca-2,6,8-trienamide is a natural product found in Acmella oleracea with data available.
Molecule SMILES: CCC1C2CN(C(=O)C(C(C)(C)C)NC(=O)OC3CC3CCCCC(F)(F)c3nc4ccc(OC)cc4nc3O2)C1C(=O)NC1(C(=O)NS(=O)(=O)C2(C)CC2)CC1C(F)F

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: Voxilaprevir is a Direct-Acting Antiviral (DAA) medication used as part of combination therapy to treat chronic Hepatitis C, an infectious liver disease caused by infection with Hepatitis C Virus (HCV). HCV is a single-stranded RNA virus that is categorized into nine distinct genotypes, with genotype 1 being the most common in the United States, and affecting 72% of all chronic HCV patients.   Voxilaprevir exerts its antiviral action by reversibly binding and inhibiting the NS3/4A serine protease of Hepatitis C Virus (HCV). Following viral replication of HCV genetic material and translation into a single polypeptide, Nonstructural Protein 3 (NS3) and its activating cofactor Nonstructural Protein 4A (NS4A) are responsible for cleaving genetic material into the following structural and nonstructural proteins required for assembly into mature virus: NS3, NS4A, NS4B, NS5A, and NS5B. By inhibiting viral protease NS3/4A, voxilaprevir therefore prevents viral replication and function. Treatment options for chronic Hepatitis C have advanced significantly since 2011, with the development of Direct Acting Antivirals (DAAs) such as voxilaprevir.   Voxilaprevir has been available since July 2017 in a fixed dose combination product with [sofosbuvir] and [velpatasvir] as the commercially available product Vosevi. Vosevi is approved for the treatment of adult patients with chronic HCV infection with genotype 1, 2, 3, 4, 5, or 6 infection. Notably, Vosevi is approved for use in patients with genotypes 1-6 who have been previously treated with an NS5A inhibitor, or patients with genotypes 1a or 3 infection and have previously been treated with an HCV regimen containing sofosbuvir without an NS5A inhibitor. Prior to Vosevi, there were no approved retreatment options for patients who have previously received, and failed, a regimen containing an NS5A inhibitor for treatment of chronic HCV infection.
Molecule SMILES: CCC1C2CN(C(=O)C(C(C)(C)C)NC(=O)OC3CC3CCCCC(F)(F)c3nc4ccc(OC)cc4nc3O2)C1C(=O)NC1(C(=O)NS(=O)(=O)C2(C)CC2)CC1C(F)F

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Voxilaprevir is a Hepatitis C Virus NS3/4A Protease Inhibitor. The mechanism of action of voxilaprevir is as a HCV NS3/4A Protease Inhibitor, and P-Glycoprotein Inhibitor, and Breast Cancer Resistance Protein Inhibitor, and Organic Anion Transporting Polypeptide 1B1 Inhibitor, and Organic Anion Transporting Polypeptide 1B3 Inhibitor.
Molecule SMILES: CCC1C2CN(C(=O)C(C(C)(C)C)NC(=O)OC3CC3CCCCC(F)(F)c3nc4ccc(OC)cc4nc3O2)C1C(=O)NC1(C(=O)NS(=O)(=O)C2(C)CC2)CC1C(F)F

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: Voxilaprevir is an orally bioavailable inhibitor of the hepatitis C virus (HCV) non-structural protein 3/non-structural protein 4A (NS3/NS4A) serine protease, with antiviral activity. Upon administration, voxilaprevir binds to the HCV NS3/NS4A serine protease and prevents NS3/NS4A protease-mediated polyprotein maturation. This disrupts both the processing of viral proteins and the formation of the viral replication complex, thereby preventing viral replication and function. NS3, a serine protease, is essential for the proteolytic cleavage of multiple sites within the HCV polyprotein and plays a key role during HCV ribonucleic acid (RNA) replication. NS4A is an activating factor for NS3. HCV is a small, enveloped, single-stranded RNA virus belonging to the Flaviviridae family; HCV infection is associated with the development of hepatocellular carcinoma (HCC).
Molecule SMILES: COc1c2c(cc(O)c1C(=O)C(C)C)OC(C)(C)C=C2

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: 2,2-Dimethyl-5-methoxy-6-isobutyryl-2H-1-benzopyran-7-ol is a natural product found in Hypericum polyanthemum with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: (6R,8S)-6,8-Heptacosanediol is a natural product found in Carthamus tinctorius with data available.
Molecule SMILES: CC1=C(C=CC(C)OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)C(C)(C)CC(O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: Ebracteatoside A is a natural product found in Acanthus ebracteatus with data available.
Molecule SMILES: CCCC=CC=CC1=C(CO)C(O)C2OC2(CC=C(C)C(=O)O)C1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: (2E,5R,6R,7R,8E,10E,12E)-2-Methyl-5,9-carbonyl-5,6-epoxy-7-hydroxy-8-(hydroxymethyl)-2,8,10,12-hexadecatetraenoic acid is a natural product found in Multiclavula with data available.
Molecule SMILES: CC(C)C1(O)C=C2C(=O)CC3C(C)(C)CCCC3(C)C2CC1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (4aR,4bS,7S,10aR)-7-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one is a natural product found in Euphorbia fischeriana with data available.
Molecule SMILES: CCC(=O)N1CC(=O)N2C(CO)C(c3ccc(-c4ccc(C#N)cc4)cc3)C2C1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: 4-[4-[(6S,7R,8R)-8-(hydroxymethyl)-2-oxo-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile is a nitrile and a member of biphenyls.