IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(C)(C)NC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C

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: Boceprevir is an oral, direct acting hepatitis C virus (HCV) protease inhibitor that was used in combination with peginterferon and ribavirin in the treatment of chronic hepatitis C, genotype 1. Initially approved for use in 2012, it was withdrawn in 2015 because of the availability of more effective and better tolerated all oral regimens of direct acting antiviral agents. Boceprevir was not linked to instances of acute liver injury during therapy but, when combined with peginterferon and ribavirin, was associated with cases of hepatic decompensation in patients with preexisting cirrhosis.
Molecule SMILES: CC(C)(C)NC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C

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: Boceprevir is a synthetic tripeptide consisting of N-(tert-butylcarbamoyl)-3-methyl-L-valyl, a cyclopropyl-fused prolyl and 3-amino-4-cyclobutyl-2-oxobutanamide residues joined in sequence. Used for treatment of chronic hepatitis C virus genotype 1 infection. It has a role as a hepatitis C protease inhibitor, a peptidomimetic and an antiviral drug. It is a tripeptide and a member of ureas.
Molecule SMILES: CC(C)(C)NC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C

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: Boceprevir is a direct acting antiviral 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. Treatment options for chronic Hepatitis C have advanced significantly since 2011, with the development of Direct Acting Antivirals (DAAs) such as Boceprevir. Boceprevir is an inhibitor of NS3/4A, a serine protease enzyme, encoded by HCV genotypes 1 and 4 [synthesis]. These enzymes are essential for viral replication and serve to cleave the virally encoded polyprotein into mature proteins like NS4A, NS4B, NS5A and NS5B. The barrier for develoment of resistance to NS3/4A inhibitors is lower than that of NS5B inhibitors, another class of DAAs. Subtitutions at amino acid positions 155, 156, or 168 are known to confer resistance. The substitutions of the enzyme's catalytic triad consisting of H58, D82, and S139 are also likely to alter the affinity of the drug for NS3/4A or the activity of the enzyme itself. Despite this disadvantage Boceprevir is still effective against HCV when paired with [DB00811], [DB00008], and [DB00022].  In a joint recommendation published in 2016, the American Association for the Study of Liver Diseases (AASLD) and the Infectious Diseases Society of America (IDSA) do not reccomend Boceprevir in combination with [DB00811], [DB00008], and [DB00022] as first line therapy for Hepatitis C. Boceprevir, [DB00811], [DB00008], and [DB00022] are used with the intent to cure, or achieve a sustained virologic response (SVR), after 48 weeks of daily therapy. SVR and eradication of HCV infection is associated with significant long-term health benefits including reduced liver-related damage, improved quality of life, reduced incidence of Hepatocellular Carcinoma, and reduced all-cause mortality.  Boceprevir is available as a fixed dose product (tradename Victrelis) used for the treatment of chronic Hepatitis C. Approved in May 2011 by the FDA, Victrelis is indicated for the treatment of HCV genotype 1 in combination with [DB00811], [DB00008], and [DB00022]. Victrelis is no longer widely used as interferon-free therapies have been developed.
Molecule SMILES: CC(C)(C)NC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C

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: Boceprevir is a Hepatitis C Virus NS3/4A Protease Inhibitor. The mechanism of action of boceprevir is as a HCV NS3/4A Protease Inhibitor, and Cytochrome P450 3A4 Inhibitor, and Cytochrome P450 3A5 Inhibitor.
Molecule SMILES: CC(C)(C)NC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C

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: Boceprevir is an orally bioavailable, synthetic tripeptide inhibitor of the nonstructural protein 3 and 4A complex (NS3/NS4A), with potential activity against hepatitis C virus (HCV) genotype 1. Upon administration, boceprevir reversibly binds to the active center of the HCV NS3/NS4A and prevents NS3/NS4A protease-mediated polyprotein maturation. This disrupts the processing of viral proteins and the formation of a viral replication complex, which inhibits viral replication in HCV genotrype 1-infected host cells. NS3, a serine protease, is essential for the proteolytic cleavages within the HCV polyprotein and plays a key role during HCV viral RNA replication. NS4A is an activating factor for NS3. HCV is a small, enveloped, single-stranded RNA virus belonging to the Flaviviridae family.
Molecule SMILES: CC1OC2C3=C(C(=O)C4OC4C3O)C1C1C3=C(C(O)C4OC4C3=O)C2OC1C

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: Epoxytwinol A is a pentaketide. It has a role as an angiogenesis inhibitor and a metabolite.
Molecule SMILES: CC(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NCCC(=O)O

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: Ac-Gln-D-Phe-His-D-Pro-betaAla is a pentapeptide comprising N(2)-acetyl-L-glutamine, D-phenylalanine, L-histidine, D-proline and beta-alanine residues coupled in sequence.
Molecule SMILES: C=C(C=CC=C(CCC=C(C)C)COC(C)=O)C1CCC2(C(CCCO)C(=C(C)C=O)CCC2(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: [(2Z,4E)-6-[(3R,4R,5S,6R,7Z,10S)-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-3-yl]-2-(4-methylpent-3-enyl)hepta-2,4,6-trienyl] acetate is a natural product found in Iris germanica with data available.
Molecule SMILES: C=C1CC(OC)(C(O)C(=O)NC2OCOC3C2OC(CC(O)CO)C(C)(C)C3O)OC(C)C1C

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: (2S)-N-[(4R,4aS,6R,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-8-hydroxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide is a natural product found in Hymeniacidon and Mycale with data available.
Molecule SMILES: C=CC1(C)CCC2C(=CCC3C(C)(CO)CCC(O)C23C)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: 13beta-Methyl-13-vinylpodocarpa-7-ene-1beta,19-diol is a natural product found in Premna serratifolia with data available.
Molecule SMILES: CC1(C2CC(=O)C3(C)C4=C(C(=O)CC23C)C2(C)CCC(=O)C(C)(C)C2CC4O)CCC(=O)O1

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: (5R,7S,10S,13R,14R,17S)-7-hydroxy-4,4,10,13,14-pentamethyl-17-[(2R)-2-methyl-5-oxooxolan-2-yl]-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthrene-3,11,15-trione is a natural product found in Ganoderma lucidum with data available.
Molecule SMILES: C=C1C(=O)C2(C)OC2(C)C1C(=O)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: 2beta,3beta-Epoxy-2,3-dimethyl-5-methylene-4-oxocyclopentane-1alpha-carboxylic acid is a natural product found in Streptomyces, Streptomyces albidoflavus, and Streptomyces coelicolor with data available.
Molecule SMILES: COC(=O)C1=COC2OC3C(C(C)O)C(=O)OC34C=CC1C24

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: methyl (1R,4R,8S,10S,11S,14S)-11-[(1S)-1-hydroxyethyl]-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate is a natural product found in Allamanda cathartica with data available.
Molecule SMILES: COc1cc2c(cc1CC1C3CC4c5c(c6ccccc6n5C)CC(C3COC1(C)OC)N4C)c1c(n2C)C2CC3C(C(C)=O)=COCC3C(C1)N2C

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: O-Methyl macralstonine is a natural product found in Alstonia macrophylla with data available.
Molecule SMILES: COc1cc(-c2oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O

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: Isorhamnetin 3-O-beta-glucopyranoside-7-O-alpha-rhamnopyranoside is a natural product found in Sedum sarmentosum with data available.
Molecule SMILES: COc1ccc(C=CC2CCC=CC2c2ccc(OC)c(OC)c2)cc1OC

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: 3-(3,4-dimethoxyphenyl)-4-[(Z)-3,4-dimethoxystyryl]cyclohex-1-ene is a member of methoxybenzenes. It has a role as a metabolite.
Molecule SMILES: CC1CC=CC2C3OC3(C)C(C)C3C(Cc4ccccc4)NC(=O)C23OC(=O)C=CCCCC1

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: 20-Deoxycytochalasin F is a natural product found in Phoma with data available.
Molecule SMILES: CN1CC(C(N)=O)=CC2(O)c3cccc4[nH]cc(c34)CC12

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: 10-Hydroxy-trans-paspalic acid Amide is a natural product found in Claviceps paspali with data available.
Molecule SMILES: CC(=O)c1cc(C=CC(C)(C)O)c(O)c(C(=O)CC(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: <molecule_2d> What do you know about the molecule?

assistant: beta-Methyl-2'-hydroxy-3'-(3-hydroxy-3-methyl-1-butenyl)-5'-acetylbutyrophenone is a natural product found in Gerbera piloselloides with data available.
Molecule SMILES: CC(C)=CCC(O)C1(C)CCCC2(C=O)C(C=O)=C(C)CCC21

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: (4aS,5R,8aS)-5-[(1R)-1-hydroxy-4-methylpent-3-enyl]-2,5-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,8a-dicarbaldehyde is a natural product found in Porella grandiloba with data available.
Molecule SMILES: OCC1NCC(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: Could you provide a description of this molecule <molecule_2d> ?

assistant: Migalastat is a member of piperidines.
Molecule SMILES: OCC1NCC(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: <molecule_2d> What do you know about the molecule?

assistant: Fabry disease is a rare, progressive genetic disorder characterized by a defective GLA gene that causes a deficiency in the enzyme alpha-Galactosidase A (alpha-Gal A). This enzyme is responsible for breaking down glycosphingolipid substrate that, when deficient in patients with Fabry disease, builds up in the blood vessels, the kidneys, the nerves, the heart, and other organs. In the U.S., it is estimated that more than 3,000 people are living with Fabry disease, and an estimated more than 50 percent of these diagnosed patients are currently untreated.  Migalastat (approved and sold under Amicus Therapeutics' brand name Galafold) is subsequently an oral pharmacological chaperone of alpha-Gal A for the treatment of Fabry disease in adults who have amenable GLA variants. In these patients, migalastat works by stabilizing the body’s own dysfunctional alpha-Gal A enzyme so that it can clear the accumulation of glycosphingolipid disease substrate. Globally, it is estimated that approximately 35 to 50 percent of Fabry patients may have amenable GLA variants that are treatable with migalastat.  Given the rarity of Fabry disease and the proportion of Fabry disease patients that could benefit from migalastat therapy, Amicus Therapeutics' brand name Galafold was approved using the Accelerated Approval pathway, under which the FDA may approve drugs for serious conditions where there is an unmet medical need and where a drug is shown to have certain effects that are reasonably likely to predict a clinical benefit to patients. A further study is required to verify and describe the clinical benefits of Galafold, and the sponsor will be conducting a confirmatory clinical trial of Galafold in adults with Fabry disease.  Additionally, Galafold was alzo granted Priority Review designation, under which the FDA’s goal is to take action on an application within six months of application filing where the agency determines that the drug, if approved, would provide a significant improvement in treating, diagnosing or preventing a serious condition over available therapies. Galafold also received Orphan Drug designation, which provides incentives to assist and encourage the development of drugs for rare diseases.  As of August 2018, migalastat under Amicus Therapeutics' brand name Galafold is currently approved in Australia, Canada, European Union, Israel, Japan, South Korea, Switzerland, and the United States.
Molecule SMILES: OCC1NCC(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: Migalastat is pharmacologic chaperone of alpha-galactosidase the intrahepatic enzyme that is deficient in Fabry disease. Clinical experience with migalastat is limited, but it not been linked to serum enzyme elevations during therapy or to instances of clinically apparent acute liver injury.
Molecule SMILES: CCC(C)C(C(=O)NC1C(=O)NC(C(O)c2ccccc2)C(=O)NC=Cc2ccc(cc2)OC1c1ccccc1)N(C)C

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,3S)-2-(dimethylamino)-N-[(3R,4R,7R,10Z)-7-[(R)-hydroxy(phenyl)methyl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide is a natural product found in Berchemia discolor with data available.
Molecule SMILES: Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C1CCC(CC(=O)NCc3ccc(Cl)cc3)OC1CO2

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: 2-[(2R,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide is an organochlorine compound.
Molecule SMILES: COc1cc(CCC2CC(OC(C)=O)CC(c3cc(O)c(O)c(OC)c3)O2)ccc1O

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: (2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-yl 4-acetate is a diarylheptanoid.
Molecule SMILES: COc1cc(CCC2CC(OC(C)=O)CC(c3cc(O)c(O)c(OC)c3)O2)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: (2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-yl 4-acetate is a natural product found in Zingiber officinale with data available.
Molecule SMILES: C=C1C(=O)OC2CC(C)C3(O)C=CC(=O)C3CC12

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: Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-7a-hydroxy-8-methyl-3-methylene-, (3aR,4aR,7aS,8R,9aR)- is a natural product found in Helenium microcephalum with data available.
Molecule SMILES: C=C(C)C1CC=C(C)CCC=C(C)CC(=O)CC(C)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: (3E,7E,10R,13S)-3,7,13-trimethyl-10-prop-1-en-2-ylcyclotetradeca-3,7-dien-1-one is a natural product found in Tor sinensis and Alligator sinensis with data available.
Molecule SMILES: COC(=O)CCCCCOC1OC(C)C(NC=O)C(O)C1OC1OC(C)C(NC=O)C(OC2OC(C)C(NC=O)C(O)C2OC2OC(CO)C(O)C(O)C2O)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: Alpha-D-Manp-(1->2)-alpha-D-Rhap4NFo-(1->3)-alpha-D-Rhap4NFo-(1->2)-alpha-D-Rhap4NFoO[CH2]5CO2Me is a glycoside that consists of an alpha-D-mannose residue and three N-formyl-alpha-D-perosamine residues linked sequentially (1->2), (1->3) and (1->2) and linked at the reducing end glycosidically to a 5-(methoxycarbonyl)pentyl group. It is a methyl ester, a glycoside and a tetrasaccharide derivative.
Molecule SMILES: CC(=O)OC1C(OC2CCC34CC35CCC3(C)C(C(C)CCC=C(C)CO)C(O)CC3(C)C5CC(O)C4C2(C)C)OC(CO)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: [(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8S,9S,11R,12S,14S,15R,16R)-9,14-dihydroxy-15-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate is a natural product found in Astragalus kahiricus with data available.
Molecule SMILES: CCCCC=CCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC

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: (2R)-1-(Octadecyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl pentadecanoate is a diglyceride.
Molecule SMILES: O=C1CC(C(=O)O)NC(=O)N1

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: (R)-dihydroorotic acid is a dihydroorotic acid. It is an enantiomer of a (S)-dihydroorotic acid.
Molecule SMILES: O=C1c2c(O)cccc2C(C2c3cccc(O)c3C(=O)c3c(O)cc(CO)cc32)c2cc(CO)cc(O)c21

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: (10S)-10-[(9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-(hydroxymethyl)-10H-anthracen-9-one is a natural product found in Senna alexandrina with data available.
Molecule SMILES: CC1OC(OCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)([O-])[O-])C(O)CC1O

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: Bhos#26-CoA(4-) is conjugate base of bhos#26-CoA
Molecule SMILES: CC1OC(OCCCCCCCCCCC(=O)CC(=O)O)C(O)CC1O

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: Bkos#22 is an organic molecular entity.
Molecule SMILES: COc1cc(O)c2c(c1)C(O)C1(O)CC(C)(O)C(O)C(O)C1(Cl)C2=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> What do you know about the molecule?

assistant: Paradictyoarthrin A is a natural product found in Paradictyoarthrinium diffractum with data available.
Molecule SMILES: CCCCCCCCCCC=CC=CC=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: 2,4-Pentadecadienal, (2E,4Z)- is a natural product found in Triticum aestivum with data available.
Molecule SMILES: CC1=CCC2C3C(C(C)C)CCC(C)C34CCC2(C)C14

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: Spiroalbatene is a natural product found in Allokutzneria albata with data available.
Molecule SMILES: CCCCCCCCCCCC=CC(O)C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCC

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: SM(d16:1/23:0) is a member of phosphocholines.
Molecule SMILES: COc1cc(O)c2c(c1C(=O)C=Cc1ccc(O)cc1)OC(c1ccc(O)cc1)C1C2CC(CCc2ccc(O)cc2)OC1c1ccc(O)cc1

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: epicalyxin I is a natural product found in Alpinia blepharocalyx and Alpinia roxburghii with data available.
Molecule SMILES: CC1CCCCOC(CN(C)S(=O)(=O)c2ccccc2)C(C)CN(C(C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)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: 1-[(3R,9R,10R)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2S)-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-(trifluoromethyl)phenyl]urea is an azamacrocycle and a lactam.