IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: NC(=O)NCCCC[NH3+]

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-carbamoylputrescinium(1+) is an ammonium ion that is the conjugate acid of N-carbamoylputrescine, arising from protonation of the primary amino group; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a N-carbamoylputrescine.
Molecule SMILES: COc1ccc(C2c3cc4c(cc3CC(C)C2C)OCO4)cc1OC

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: Galcatin is a natural product found in Virola surinamensis and Otoba novogranatensis with data available.
Molecule SMILES: [Co+2].[O-]c1ccccc1C=NCCN=Cc1ccccc1[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: Salcomine appears as a solid complex between the cobalt(II) ion and the condensation product of salicylaldehyde and ethylenediamine. Such condensation products are called "Schiff's bases." Complexation with cobalt nullifies their basic properties. Used as a catalyst for various oxidation reactions in which it behaves as an oxygen carrier.
Molecule SMILES: O=[N+]([O-])O[Pb]O[N+](=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> What do you know about the molecule?

assistant: Lead nitrate is a lead coordination entity and an inorganic nitrate salt.
Molecule SMILES: CCC(C)C(O)C(=O)C1C2=COC(C)=CC2=CC(=O)C1(C)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: Phomopsone A is a natural product found in Phomopsis with data available.
Molecule SMILES: CC(=O)NC1C(OCCCN)OC(COS(=O)(=O)[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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: 3-aminopropyl N-acetyl-6-O-sulfonato-beta-D-glucosaminide is the organosulfate oxoanion that is N-acetylated 6-O-sulfonato-beta-D-glucosamine linked glycosidically to a 3-aminopropyl group. It is a conjugate base of a 3-aminopropyl N-acetyl-6-O-sulfo-beta-D-glucosaminide.
Molecule SMILES: COC1CCC2(C)C3CCC4C(=CCC5C(C)(C)C(=O)CCC45C)CC3(C)CCC2C1(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: (1S,6S,11R,12S,15S,16R,19R,21S)-19-methoxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one is a natural product found in Picea sitchensis with data available.
Molecule SMILES: CSC=CC(=O)Nc1ccn(C2CCC(O)C(C)O2)c(=O)n1

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: Streptcytosine B is a natural product found in Streptomyces with data available.
Molecule SMILES: CC(C(=O)O)C(C)(O)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> What do you know about the molecule?

assistant: 2,3-dimethylmalic acid is a 2-hydroxydicarboxylic acid that is malic acid substituted by methyl groups at positions 2 and 3. It is functionally related to a malic acid.
Molecule SMILES: COc1ccc(C=CC(=O)OCC2OC(OC(=O)C=Cc3ccc(OC)cc3)C(O)C(OC(=O)C=Cc3ccc(OC)cc3)C2O)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: [(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-bis[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy]oxan-2-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate is a natural product found in Gomortega keule with data available.
Molecule SMILES: CC(C)(O)CC(N)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: 4-hydroxy-D-leucine is the D-enantiomer of 4-hydroxyleucine. It is a 4-hydroxyleucine and a D-leucine derivative. It is an enantiomer of a 4-hydroxy-L-leucine.
Molecule SMILES: CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)CC(OC)C(C)CNC(C)CO2

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: N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide is a lactam and an azamacrocycle.
Molecule SMILES: CC(C(=O)OCn1nnc2ccccc2c1=O)N1C(=O)C2CCCCC2C1=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: (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester is an alpha-amino acid ester.
Molecule SMILES: CC(=O)NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Sialyllacto-N-neotetraose c is an oligosaccharide.
Molecule SMILES: CC(=O)C=CC=CC=CC=CC=CC=CC=CC=CC=CCC(=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: Antibiotic 8006-I is a natural product found in Amblyosporium spongiosum with data available.
Molecule SMILES: COC(=O)CC1(C)CCC2(O1)C(C=O)=CCC1C(C)(C)CCCC12C

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 2-[(2'S,4aS,8S,8aS)-7-formyl-2',4,4,8a-tetramethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetate is a natural product found in Chrysoma pauciflosculosa with data available.
Molecule SMILES: CC1=CC=C(C2(C)CCCC2(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: Provide a description of this molecule <molecule_2d> .

assistant: 1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene is a natural product found in Lepidozia vitrea, Marsupella emarginata, and other organisms with data available.
Molecule SMILES: CC(C)(O)C1CCC23CC(CCC2C1(C)CCC(=O)O)C(O)(CO)C3

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: (5alpha,9alpha,10beta,16R)-4,16,17-Trihydroxy-3,4-secokaurane-3-oic acid is a natural product found in Callicarpa furfuracea with data available.
Molecule SMILES: CC1=CC2OC3C(O)C(O)C(C)(C2(CO)CC1)C31CO1

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: (1R,2R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10,11-diol is a natural product found in Fusarium graminearum with data available.
Molecule SMILES: C=C(C)C(=O)OC1CC(C)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: 2-Propenoic acid, 2-methyl-, 3,3,5-trimethylcyclohexyl ester is an enoate ester.
Molecule SMILES: CC(C)=CCC(O)C(C)=CCCC(=CCCC(C)=CCO)CO

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: (2E,6Z,10E,12R)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraene-1,12-diol is a natural product found in Grazielia serrata and Lasiolaena morii with data available.
Molecule SMILES: CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(OCC)cc1

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-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-4-triazolecarboxylic acid ethyl ester is a member of triazoles.
Molecule SMILES: CCOC(=O)c1ccc2c(c1)nc(SCC(=O)C(C#N)c1nc3ccccc3[nH]1)n2CC

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: LSM-23645 is a member of benzimidazoles.
Molecule SMILES: COc1ccc(O)c2c1C(=O)c1cc3c(c(O)c1C2=O)C(OC1CC(C)(N(C)C)C(O)C(C)O1)C(OC)C(C)(O)C3O

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: (7S,8R,9R,10R)-7-[(2S,4S,5R,6R)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,6,9,10-tetrahydroxy-1,8-dimethoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione is a natural product found in Nocardia with data available.
Molecule SMILES: CCC=CCC1CCCC1=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: 2-(trans-2-Pentenyl)cyclopentanone is a cyclic ketone.
Molecule SMILES: CC(=CCCC(C)C1=C(C)C2C=C3C(CCC4C(C)(C)C(=O)CCC34C)C2(C)CC1)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: Kadcoccinic acid D is a natural product found in Kadsura coccinea with data available.
Molecule SMILES: C=C1C(=O)OC2C=C(C)CCC=C(C(=O)O)CC(OC(=O)C(C)=CC)C12

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: (3aR,4R,6Z,10E,11aR)-10-methyl-4-[(E)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid is a natural product found in Campovassouria cruciata and Blainvillea rhomboidea with data available.
Molecule SMILES: CC(O)(CO)C(O)COC(=O)C=Cc1ccc(OCC(C)(O)C(O)CO)c(O)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: Evolvoid A is a cinnamate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with 2-methylbutane-1,2,3-triol and in which the hydroxy group at position 4 is replaced by a 2,3,4-trihydroxy-2-methylbutyl]oxy group. Isolated from the whole plants of Evolvulus alsinoides, it exhibits characteristics of an Ayurvedic crude drug. It has a role as a metabolite and a drug. It is a polyol and a cinnamate ester. It is functionally related to a trans-caffeic acid.
Molecule SMILES: CC(O)(CO)C(O)COC(=O)C=Cc1ccc(OCC(C)(O)C(O)CO)c(O)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: evolvoid A is a natural product found in Evolvulus alsinoides with data available.
Molecule SMILES: CC1OC(OC2C(OC3CCC4(C)C5=C(CCC4C3(C)C)COC(C3=CCOC3=O)C5)OC(CO)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: Tell me something about this molecule: <molecule_2d>

assistant: 4-[(2S,6aR,8S,10aS)-8-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,7,10a-trimethyl-2,4,5,6,6a,8,9,10-octahydro-1H-benzo[f]isochromen-2-yl]-2H-furan-5-one is a natural product found in Hedychium coronarium with data available.
Molecule SMILES: Oc1cc(O)c(C2c3c(O)cc4c(c3OC(c3ccc(O)c(O)c3)C2O)C2c3c(O)cc(O)cc3OC(c3ccc(O)c(O)c3)(O4)C2O)c(O)c1

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: (1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-(2,4,6-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol is a natural product found in Rumex acetosa with data available.
Molecule SMILES: COc1ccc(C23Oc4cc5c(c(OC)c4C(O)(C(C(=O)N4CCCC4NC(=O)C(C)C)C2c2ccccc2)C3O)OCO5)cc1

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: Isothapsakin B is a natural product found in Aglaia edulis with data available.
Molecule SMILES: CCC(C)(O)CCC1(C)C(C)CCC2(C)C(C)=CC(O)CC21

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: (2R,4aR,7R,8S,8aR)-8-[(3S)-3-hydroxy-3-methylpentyl]-4,4a,7,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol is a natural product found in Aristolochia chamissonis with data available.
Molecule SMILES: CCCCCCCC1=C(C)C(=O)C(=O)c2c1[nH]c1ccccc21

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: 1-heptyl-2-methyl-9H-carbazole-3,4-dione is a natural product found in Streptomyces violaceus with data available.
Molecule SMILES: COc1ccc(CN(C)CC2Oc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N(C(C)CO)CC2C)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: N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide is a member of acetamides.
Molecule SMILES: C=C1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(C)C(O)C(OC(C)=O)C7OC(C)=O)C6(C)C5CCC4(C)C3C2C)C(O)C1

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: [3-Acetyloxy-2-[2-(3',16-dihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl)oxy-5-hydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl] acetate is a natural product found in Sansevieria trifasciata with data available.
Molecule SMILES: C=C1C(=O)OC2CC(C)C(OC(C)C)CC(=O)C(C)(O)CC(OC(=O)C(C)=CC)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 provide a description of this molecule <molecule_2d> ?

assistant: [(3aS,4R,6R,9S,10R,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-9-propan-2-yloxy-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate is a natural product found in Helianthus californicus with data available.
Molecule SMILES: COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3nc(C(C)C)cs3)nc2c1C

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: Simeprevir is an oral, direct acting hepatitis C virus (HCV) protease inhibitor that is no longer available but was previously used in combination with other antiviral agents in the treatment of chronic hepatitis C, genotypes 1 and 4, but subsequently was withdrawn. Simeprevir has been linked to isolated, rare instances of mild, acute liver injury during treatment and to occasional cases of hepatic decompensation in patients with preexisting cirrhosis.
Molecule SMILES: COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3nc(C(C)C)cs3)nc2c1C

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: Simeprevir is an azamacrocycle and a lactam.
Molecule SMILES: COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3nc(C(C)C)cs3)nc2c1C

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: Simeprevir is a Hepatitis C Virus NS3/4A Protease Inhibitor. The mechanism of action of simeprevir is as a HCV NS3/4A Protease Inhibitor, and Cytochrome P450 3A4 Inhibitor, and P-Glycoprotein Inhibitor, and Organic Anion Transporting Polypeptide 1B1 Inhibitor, and Organic Anion Transporting Polypeptide 1B3 Inhibitor, and Cytochrome P450 1A2 Inhibitor, and Breast Cancer Resistance Protein Inhibitor, and Bile Salt Export Pump Inhibitor, and Multidrug Resistance-Associated Protein 2 Inhibitor, and Sodium Taurocholate Co-transporting Polypeptide Inhibitor.
Molecule SMILES: COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3nc(C(C)C)cs3)nc2c1C

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: Simeprevir is an orally bioavailable inhibitor of the hepatitis C virus (HCV) protease complex comprised of non-structural protein 3 and 4A (NS3/NS4A), with activity against HCV genotype 1. Upon administration, simeprevir reversibly binds to the active center and binding site of the HCV NS3/NS4A 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, which inhibits viral replication in HCV genotype 1-infected host cells. 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: O=C(CC1CCC2C(COCC(O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)c(Cl)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: 2-[(3R,6aR,8S,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide is a carbonyl compound and an organohalogen compound.
Molecule SMILES: NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=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: Pixantrone is a member of isoquinolines.
Molecule SMILES: NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=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: Pixantrone is an aza-anthracenedione and DNA intercalator which inhibits topoisomerase II. It is similar in structure to anthracyclines such as mitoxantrone, but exerts fewer toxic effects on cardiac tissue. [2] The lower cardio-toxic effects of pixantrone may be explained, in part, by its redox inactivity [3]. Pixantrone does not bind iron and promotes the formation of reactive oxygen species to a lesser degree than other anthracyclines. It also inhibits doxorubicinol formation in human myocardium. [3] As a result, it is believed to be less cardiotoxic while still exerting efficacy.    Pixantrone was designed to treat relapsed or refractory aggressive non-Hodgkin's lymphoma(NHL) in patients who have failed two prior lines of therapy. [2] For patients suffering from NHL, first line therapies consist of anthracycline containing multi-drug treatments which unfortunately are known to cause irreversible myocardial tissue damage. Patients refractory to treatment, or those who relapse, are discouraged from further anthracycline use due to cumulative cardiotoxicity. Pixantrone dimaleate, administered intravenously, was designed by Cell Therapeutics Incorporated as an alternative second line therapy in refractory or relapsed NHL. It is currently being tested in Phase III trials. [2]  Although pixantrone has not yet received FDA approval in the United States, it has been granted conditional marketing approval by the European Union. Conditional approval was granted by the European Medicines Agency after a phase III EXTEND trial of patients with NHL showed that pixantrone was tolerable and that it resulted in significantly higher complete response rate and progression free survival in comparison to other single chemotherapy agents. However, it is notable that the EXTEND trial was stopped early, leaving the statistical significance of the results in question. Based on this uncertainty, in 2009, the FDA ultimately rejected Cell Therapeutic's initial application for accelerated approval for pixantrone use in relapsed or refractory NHL. Another phase III trial, PIX-R, is now ongoing to clarify pixantrones place in therapy. It will compare pixantrone efficacy to that of gemcitabine. [2]
Molecule SMILES: NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=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: Pixantrone is a synthetic, noncardiotoxic aza-anthracenedione analogue with potential antineoplastic activity. Pixantrone intercalates into DNA and induces topoisomerase II-mediated DNA strand crosslinks, resulting in inhibition of DNA replication and tumor cell cytotoxicity.
Molecule SMILES: C=C1C(=O)C23C(=O)C(O)C4C(C)(C)CCCC4(C=O)C2C(O)CC1C3O

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: xerophilusin II is a natural product found in Isodon xerophilus with data available.
Molecule SMILES: OC1C=CC2=CCN3Cc4cc5c(cc4C1C23)OCO5

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: (1S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,14,16-pentaen-18-ol is a natural product found in Narcissus with data available.