IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC(=O)C=Cc3ccc(O)c(O)c3)CC21

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: [(3S,4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate is a natural product found in Bhesa paniculata with data available.
Molecule SMILES: CC(C)C1NC(=O)C(NC(=O)NC(Cc2ccccc2)C(=O)O)CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C(=O)C(CCc2ccc(O)cc2)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> What do you know about the molecule?

assistant: 2-[[3-Benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid is a natural product found in Nodularia spumigena with data available.
Molecule SMILES: COC(=O)CC1CCC(=O)C1CC=CCCO

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: Methyl tuberonate is a methyl ester derived from tuberonic acid. It has a role as a plant metabolite. It is a methyl ester, a member of cyclopentanones, a primary alcohol and a homoallylic alcohol. It is functionally related to a tuberonic acid.
Molecule SMILES: COc1cc(-c2cc(=O)c3c(O)cc(OC)c(OC4OC(CO)C(O)C(O)C4O)c3o2)ccc1O

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',7-Dimethoxy-4',5,8-trihydroxyflavone 8-glucoside is a glycoside and a member of flavonoids.
Molecule SMILES: CC(C)C1C(=O)N2c3ccccc3C3(O)CC(n4cnc5ccccc5c4=O)C(=O)N1C23

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: Aniquinazoline D is a natural product found in Aspergillus nidulans with data available.
Molecule SMILES: C=C1CCC2C(=C)C(=O)OC2C=C(C)CC2C=C(CCC1OO)C(=O)O2

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: (1R,3E,5R,9R,13R)-13-hydroperoxy-3-methyl-8,12-dimethylidene-6,18-dioxatricyclo[14.2.1.05,9]nonadeca-3,16(19)-diene-7,17-dione is a natural product found in Isodon sculponeatus with data available.
Molecule SMILES: C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)O)CCC21C

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: Desfontainic acid is a natural product found in Desfontainia spinosa with data available.
Molecule SMILES: CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)CC(OC)C(C)CN(C(=O)c1ccc3c(c1)OCO3)C(C)CO2

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: N-[(4R,7S,8S)-5-(1,3-benzodioxole-5-carbonyl)-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 an azamacrocycle and a lactam.
Molecule SMILES: C=C1CCCC(C)(C)C1(O)CCC(C)=CCCC1(C)CCC(C(C)C(=O)O)OO1

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: (2R)-2-[(3R,6S)-6-[(E)-6-[(1R)-1-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-6-methyldioxan-3-yl]propanoic acid is a natural product found in Diacarnus megaspinorhabdosa with data available.
Molecule SMILES: CC(C)CCCCCCCCCCCCC(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: Tell me something about this molecule: <molecule_2d>

assistant: 2-Hydroxy 15-methylhexadecanoic acid is a natural product found in Aplysina fistularis, Aplysina lacunosa, and Smenospongia aurea with data available.
Molecule SMILES: CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(C)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)cc(O)c3c2=O)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: Grosvenorine is a natural product found in Sedum sarmentosum with data available.
Molecule SMILES: CC(C)=CCc1cc(C2CC(=O)c3ccc(O)cc3O2)cc2c1OC(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: Provide a brief overview of this molecule <molecule_2d> .

assistant: ent-abyssinone III is a natural product found in Erythrina abyssinica and Glycyrrhiza inflata with data available.
Molecule SMILES: CCC1(C)CCCC2(C)C1CCC1(C)C3CC(O)C(C(C)=O)=CC3(C)C(OC(=O)CC(C)OC(C)=O)CC21

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: [(1S,4aS,4bR,6S,6aR,9R,10aS,10bR,12aS)-8-acetyl-1-ethyl-9-hydroxy-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,9,10,10a,11,12,12a-dodecahydrochrysen-6-yl] (3S)-3-acetyloxybutanoate is a natural product found in Strepsichordaia aliena with data available.
Molecule SMILES: CC(C)CC1NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(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: Provide a brief overview of this molecule <molecule_2d> .

assistant: cyclo[Ala-Leu-Leu-Val-Ser-Pro-D-Trp] is a natural product found in Jatropha integerrima with data available.
Molecule SMILES: COc1cc(-c2[o+]c3cc(O)cc(OC)c3cc2O)cc(OC)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: Capensinidin is an anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 7, a methoxy group at position 5 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 2 respectively. It has a role as a plant metabolite.
Molecule SMILES: CC1CN(C(C)CO)C(=O)Cc2cc(N(C)C)ccc2OC1CN(C)Cc1ccc2c(c1)OCO2

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: (2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one is a member of benzodioxoles.
Molecule SMILES: C=C(NC(=O)C(=C)NC(=O)c1csc(C2=NC3c4csc(n4)C4NC(=O)c5csc(n5)C(C(C)(O)C(C)O)NC(=O)C5CSC(=N5)C(=CC)NC(=O)C(C(C)O)NC(=O)c5csc(n5)C3(CC2)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC(=O)C(C(C)CC)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC4C)n1)C(N)=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: Thiostrepton is a naturally-occurring, sulfur-rich, cyclic oligopeptide antibiotic of the thiopeptide class, and an irreversible inhibitor of the mitochondrial thioredoxin-dependent peroxide reductase (peroxiredoxin-3; PRX3; antioxidant protein 1; AOP-1), with potential antineoplastic activity. Upon intrapleural administration, thiostrepton irreversibly binds to and inhibits the activity of PRX3. This inhibits the peroxidase activity of the thioredoxin reductase 2 (TXNRD2)-thioredoxin-2 (TRX2)-PRX3 antioxidant signaling network within the mitochondria, which may result in the accumulation of hydrogen peroxide and lead to tumor cell death. PRX3 is upregulated in cancer cells and plays an important role in the regulation of the oxidative stress pathways.
Molecule SMILES: [Ni+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1

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: Hexakis(pyridine)nickel(2+) is a nickel coordination entity.
Molecule SMILES: CC(C)=CC(=O)CC(C)=CCCC1(C)Oc2c(c(=O)oc3cc(O)ccc23)C1C

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*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E)-7-nonadien-6-onyl]furo[3,2-c]coumarin is a furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-3(E)-7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it exhibits inhibitory effect on the production of nitric oxide (NO). It has a role as a metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a furanocoumarin, a ketone, a member of phenols and a sesquiterpenoid.
Molecule SMILES: CC(C)=CC(=O)CC(C)=CCCC1(C)Oc2c(c(=O)oc3cc(O)ccc23)C1C

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: (2R*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E)-7-nonadien-6-onyl]furo[3,2-c]coumarin is a natural product found in Ferula fukanensis with data available.
Molecule SMILES: C=CC(C)(CCC=C(C)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(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: Tell me something about this molecule: <molecule_2d>

assistant: (2R,3R,4R,5R,6S)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol is a natural product found in Capsicum annuum with data available.
Molecule SMILES: CCC(CO)C1C2(C)C(=O)C(=CO)C(O)(C3CC(C)(O)CC(C)C32)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: (1S,2R,4R,6R,7S,8R,10Z,11R,12R)-1,4,11-trihydroxy-12-[(2S)-1-hydroxybutan-2-yl]-10-(hydroxymethylidene)-4,6,8,11-tetramethyltricyclo[6.2.2.02,7]dodecan-9-one is a natural product found in Stemphylium botryosum with data available.
Molecule SMILES: COc1ccc2c(c1CC=C(C)C)OC1c3cc4c(cc3OCC21O)OC(C)(C)C=C4

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: Erypoegin J is a natural product found in Erythrina poeppigiana with data available.
Molecule SMILES: C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)C1CCOC(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: Sylvestroside II is a natural product found in Abelia chinensis with data available.
Molecule SMILES: CC(C)CNC(=O)C=CC=CCC1CCc2cc3c(cc2O1)OCO3

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: 6-(7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-N-(2-methylpropyl)hexa-2,4-dienamide is a natural product found in Dinosperma erythrococcum with data available.
Molecule SMILES: Cc1cc(C)nc(SCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)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: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5-diphenyl-2-oxazolyl)acetamide is a member of 1,3-oxazoles.
Molecule SMILES: COc1cc(COC(=O)CCCCCCC(C)C)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: Dihydrocapsiate is under investigation in clinical trial NCT00999297 (Effect of 4-week Dihydrocapsiate Ingestion on Resting Metabolic Rate).
Molecule SMILES: COc1cc(COC(=O)CCCCCCC(C)C)ccc1O

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: Dihydrocapsiate is a member of methoxybenzenes and a member of phenols.
Molecule SMILES: CCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCC(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: N-tetradecanoyl-15-methylhexadecasphinganine is a N-acyl-15-methylhexadecasphinganine in which the acyl group has 14 carbons and 0 double bonds.
Molecule SMILES: CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)C(O)C4NC(C)=O)C3O)C(O)C2NC(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: CID 71297741 is a polysaccharide.
Molecule SMILES: CCC(C)C(NC(=O)C(NC(=O)C(C)NC(=O)C(CCCCNC(=O)C=Cc1ccccc1C(F)(F)F)NC(=O)C(CC(=O)O)NC(C)=O)C(C)O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: Ac-Asp-N(6)-{(2E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl}-KATIGFEVQEE is a mimotope of the pyruvate dehydrogenase E2 component (PDC-E2) comprising a (2E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl- group linked to the lipoated PDC-E2 core dodecapeptide (DKATIGFEVQEE) at N-6 of lysine. It has a role as a mimotope. It is a lipopeptide and a polypeptide.
Molecule SMILES: CCOC(=O)Nc1nnc(-c2ccc(OC)c(OC)c2)s1

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-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamic acid ethyl ester is a dimethoxybenzene.
Molecule SMILES: C=C1C(=O)OC2C1CCC(C)C1C=CC(=O)C12COC(C)=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: [(3aR,6R,6aS,9aS,9bR)-6-methyl-3-methylidene-2,9-dioxo-3a,4,5,6,6a,9b-hexahydroazuleno[4,5-b]furan-9a-yl]methyl acetate is a natural product found in Parthenium hysterophorus with data available.
Molecule SMILES: CC(=O)N1CCc2cc3c(c4c2C1Cc1ccccc1-4)OCO3

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: l-N-Acetylanonaine is a natural product found in Magnolia obovata and Magnolia champaca with data available.
Molecule SMILES: CC=C1CN2CCC34c5ccccc5N5C=C6C7CC8N(CC7=CC)C(C7=CC9C%10CC%11N(CCC%11%12c%11ccccc%11N(C7=O)C9%12)CC%10=CC)CC87c8ccccc8N(C=C(C1CC23)C54)C67

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: (1R,12S,13R,14Z,19S,21S)-10-[(1R,9Z,11S,13S,15R,17R,25Z,27S,28E,33S,35R,36R,38Z)-28,38-di(ethylidene)-8,14,24,30-tetrazaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-15-yl]-14-ethylidene-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-9-one is a natural product found in Strychnos icaja with data available.
Molecule SMILES: COc1cc2c(c(O)c1C=O)COCC2

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: 8-hydroxy-6-methoxy-3,4-dihydro-1H-isochromene-7-carbaldehyde is a natural product found in Aspergillus ustus with data available.
Molecule SMILES: CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4)OC(CO)C(O)C2OC2OC(CO)C(O)C2O)C(O)C(O)C1OC1OCC(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: Polygalasaponin X is a natural product found in Polygala japonica with data available.
Molecule SMILES: CC(CCC(=O)O)C1CCC2C3C=CC4=CC(=O)C=CC4(C)C3CCC12C

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-Oxochola-1,4,6-trien-24-oic acid is a bile acid.
Molecule SMILES: O=C(CO)C(O)C(O)C(O)C(O)C(O)CO

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: (3R,4S,5S,6S,7S)-1,3,4,5,6,7,8-heptahydroxyoctan-2-one is a natural product found in Primula veris with data available.
Molecule SMILES: CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3OC3OC(C(=O)O)C(O)C(O)C3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(OC2OC(CO)C(O)C(O)C2O)cc(O)cc1C(C(=O)NCCCN(C)C)NC3=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: Dalbavancin is a second-generation lipoglycopeptide antibiotic that was designed to improve on the natural glycopeptides currently available, such as vancomycin and teicoplanin. Modifications from these older glycoprotein classes facilitated a similar mechanism of action for dalbavancin but with increased activity and once-weekly dosing. Its use is indicated for the treatment of acute bacterial skin and skin structure infections (ABSSSI) caused by the following gram-positive microorganisms: Staphylococcus aureus (including methicillin-susceptible and methicillin-resistant strains), S. pyogenes, S. agalactiae, S. dysgalactiae, the S. anginosus group (including S. anginosus, S. intermedius, and S. constellatus), and Enterococcus faecalis (vancomycin susceptible strains). Dalbavancin acts by interfering with bacterial cell wall synthesis by binding to the D-alanyl-D-alanine terminus of nascent cell wall peptidoglycan and preventing cross-linking.
Molecule SMILES: CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3OC3OC(C(=O)O)C(O)C(O)C3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(OC2OC(CO)C(O)C(O)C2O)cc(O)cc1C(C(=O)NCCCN(C)C)NC3=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: Dalbavancin is a second-generation, semi-synthetic lipoglycopeptide antibiotic, with bactericidal activity against a variety of gram-positive bacteria. Upon administration, dalbavancin binds, at a site different from that of penicillins and cephalosporins, tightly to the D-alanyl-D-alanine portion of peptidoglycan chains, thereby preventing peptidoglycan elongation and interfering with bacterial cell wall synthesis. This leads to activation of bacterial autolysins and induces cell wall lysis.
Molecule SMILES: O=c1ccc2ccc(Oc3cc4cc(O)c(OC5OC(CO)C(O)C(O)C5O)c(O)c4oc3=O)cc2o1

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: 6,8-Dihydroxy-3-(2-oxochromen-7-yl)oxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one is a natural product found in Daphne oleoides with data available.
Molecule SMILES: Cn1c(=O)c2c(n(C)c1=O)=NC1(CCCCC1)ON=2

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: 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione is an organic heterotricyclic compound and a spiro compound.
Molecule SMILES: Cc1occ2c1C(=O)c1c(cc(O)c(O)c1O)C21NC(=O)c2ccccc2N1

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: Isofuranonaphthoquinone G is a natural product found in Streptomyces with data available.
Molecule SMILES: COc1ccc2c(c1CC=C(C)C)OC1C3(O)C=CC(=O)C=C3OCC21O

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: 6a,11b-Dihydroxy-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-3-one is a natural product found in Erythrina variegata with data available.
Molecule SMILES: CCC=CCC(O)C=CC1=C(CC=CCCCC(=O)O)C(=O)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: Prostaglandin B3 is a member of the class of prostaglandins A that is prosta-5,8(12),13,17-tetraen-1-oic acid carrying oxo and hydsroxy substituents at positions 9 and 15 respectively (the 5Z,13E,15S,17Z-stereoisomer). It has a role as a rat metabolite and a xenobiotic metabolite. It is a prostaglandins B and a secondary alcohol. It is a conjugate acid of a prostaglandin B3(1-).
Molecule SMILES: CCC=CCC(O)C=CC1=C(CC=CCCCC(=O)O)C(=O)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: Prostaglandin B3 is a natural product found in Glycine max with data available.
Molecule SMILES: COC(=O)CCCNC(=O)N(Cc1cc(O)c(O)c(Br)c1Br)Cc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br

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: Methyl N'-(2,3-dibromo-4,5-dihydroxybenzyl)-N\'-[3-bromo-2-(2,3-dibromo-4,5-dihydroxybenzyl)-4,5-dihydroxybenzyl]-Y-ureidobutyrate is a natural product found in Rhodomela confervoides with data available.