IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(N)Cc1c[nH]cn1)C(C)O)C(C)O)C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Lixisenatide is a forty-four membered polypeptide consisting of L-His, Gly, L-Glu, Gly, L-Thr, L-Phe, L-Thr, L-Ser, L-Asp, L-Leu, L-Ser, L-Lys, L-Gln, L-Met, L-Glu, L-Glu, L-Glu, L-Ala, L-Val, L-Arg, L-Leu, L-Phe, L-Ile, L-Glu, L-Trp, L-Leu, L-Lys, L-Asn, Gly, Gly, LPro, L-Ser, L-Ser, Gly, L-Ala, L-Pro, L-Pro, L-Ser, L-Lys, L-Lys, L-Lys, L-Lys, L-Lys, and L-Lys-NH2 residues joined in sequence. Used as an adjunct to diet and exercise for the treatment of adults with type II diabetes. It has a role as a glucagon-like peptide-1 receptor agonist, a hypoglycemic agent and a neuroprotective agent. It is a polypeptide and a peptidyl amide.
Molecule SMILES: Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccnc1

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: N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-3-pyridinecarboxamide is an aromatic amide.
Molecule SMILES: C=C1C2CCC3(O)C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1OC(=O)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (1R,4R,5S,9S,10S,13S,15R)-10-hydroxy-5,9-dimethyl-15-[(Z)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid is a natural product found in Oyedaea verbesinoides with data available.
Molecule SMILES: CN1CCC23c4c5ccc(OS(=O)(=O)O)c4OC2C(=O)CCC3C1C5

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: Hydromorphone-3-sulphate is a morphinane alkaloid.
Molecule SMILES: C=C(C)C1CCC(C)=CCC=C(C)C(O)CCC(COC(C)=O)=CC1OC(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: [(1E,3S,4R,7E,12S)-3-acetyloxy-12-hydroxy-7,11-dimethyl-4-prop-1-en-2-ylcyclotetradeca-1,7,10-trien-1-yl]methyl acetate is a natural product found in Eunicea knighti with data available.
Molecule SMILES: CC(=O)Oc1ccc(O)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (3,4-Dihydroxyphenyl) acetate is a natural product found in Tamarindus indica with data available.
Molecule SMILES: COC12CC34OC3CCC(C)C4(C)CC1(O)C(C)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: (1R,3S,6R,7S,9S,10R,13S)-7-hydroxy-3-methoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradecan-5-one is a natural product found in Senecio nemorensis with data available.
Molecule SMILES: Cc1ccc(N2C(=O)CC(Sc3ncccn3)C2=O)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 provide a description of this molecule <molecule_2d> ?

assistant: 1-(3,4-dimethylphenyl)-3-(2-pyrimidinylthio)pyrrolidine-2,5-dione is a member of pyrrolidines.
Molecule SMILES: C=C(C)C1CCC(C)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 provide a description of this molecule <molecule_2d> ?

assistant: Dihydrocarvone is a dihydrocarvone resulting from reduction of the endocyclic cyclohexene double bond. It has a role as a plant metabolite.
Molecule SMILES: C=C(C)C1CCC(C)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: <molecule_2d> What do you know about the molecule?

assistant: Dihydrocarvone is a natural product found in Origanum syriacum, Trachyspermum anethifolium, and other organisms with data available.
Molecule SMILES: CC(C)=CCCC(C)=CCN1c2cc(C(=O)c3ccccc3)ccc2Nc2c(C(=O)O)cc(C(=O)c3ccccc3)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> The above is a compound. Could you please tell me something about it?

assistant: Benthophoenin is a member of the class of phenazines that is 5,10-dihydrophenazine-1-carboxylic acid substituted by benzoyl groups at positions 3 and 7 and a geranyl moiety at position 5. It is isolated from the mycelium of Streptomyces prunicolor and acts as a free radical scavenger. It has a role as a metabolite and a radical scavenger. It is a member of phenazines, a dioxo monocarboxylic acid, a diketone and an aromatic ketone.
Molecule SMILES: CC(C)=CCCC(C)=CCN1c2cc(C(=O)c3ccccc3)ccc2Nc2c(C(=O)O)cc(C(=O)c3ccccc3)cc21

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: Benthophoenin is a natural product found in Streptomyces prunicolor with data available.
Molecule SMILES: CC(=O)OC1C(=O)CC2C3(CCC(C)(O)C2(C)CC2=C(C)CC(O)O2)COC(=O)C13

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: [(3aS,4R,6aS,7R,8S,10aS)-8-hydroxy-7-[[(2S)-2-hydroxy-4-methyl-2,3-dihydrofuran-5-yl]methyl]-7,8-dimethyl-3,5-dioxo-3a,4,6,6a,9,10-hexahydro-1H-benzo[d][2]benzofuran-4-yl] acetate is a natural product found in Leonurus cardiaca with data available.
Molecule SMILES: COc1ccc(C(O)C(C)Oc2ccc(C3OC(c4ccc(OC)c(OC)c4)C(C)C3C)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: <molecule_2d> What do you know about the molecule?

assistant: Saucerneol methyl ether is a natural product found in Saururus cernuus and Saururus chinensis with data available.
Molecule SMILES: COc1cc(CCC(=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: Could you provide a description of this molecule <molecule_2d> ?

assistant: 3-(2,4-dihydroxy-5-methoxyphenyl)propanoic acid is a monocarboxylic acid and a member of benzenes.
Molecule SMILES: O=c1c(OC2C(O)OC(CO)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)c(C3C(O)OC(CO)C(O)C3O)c(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: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxychromen-4-one is a natural product found in Cyclopia intermedia with data available.
Molecule SMILES: CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(O)C(COC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(OC5OC(C)C(O)C(O)C5O)C4NC(C)=O)OC(OC4C(CO)OC(O)C(O)C4O)C3O)C2O)(C(=O)O)OC1C(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: Provide a brief overview of this molecule <molecule_2d> .

assistant: (2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is a member of neuraminic acids.
Molecule SMILES: CC1=CCC2C(C)(CO)CCCC2(C)C1CC12OC1C(O)C(CO)=CC2O

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: (3R,4S,5R,6R)-4-[[(1S,4aR,5R,8aR)-5-(Hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1-yl]methyl]-1-(hydroxymethyl)-4,5-epoxy-1-cyclohexene-3,6-diol is a natural product found in Lophiostoma with data available.
Molecule SMILES: CC1=CC(O)C(O)C(C)=CC2C(CC1)C2(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 provide a description of this molecule <molecule_2d> ?

assistant: (1R,2E,4R,5R,6E,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene-4,5-diol is a natural product found in Leiocarpa semicalva, Ozothamnus adnatus, and Ozothamnus retusus with data available.
Molecule SMILES: CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(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: Please give me some details about this molecule <molecule_2d> .

assistant: 11,17,21-Trihydroxypregna-1,4-diene-3,20-dione is a 21-hydroxy steroid.
Molecule SMILES: CC(=O)OCC(C)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: 3-(Acetyloxy)-2-methylpropanoic acid is a natural product found in Tolypocladium cylindrosporum with data available.
Molecule SMILES: CCCCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(OC(CCCCC)CCCCCCCCCC(=O)OC2C3O)OC(C)C(O)C4O)OC(C)C(OC2OC(C)C(OC(=O)C(C)CC)C(O)C2O)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: Murcoidin XI is a natural product found in Ipomoea murucoides, Ipomoea intrapilosa, and Ipomoea arborescens with data available.
Molecule SMILES: CC(=O)OCC1OC1(C)CCCC(C)CCCC(C)CCCC(C)C

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,3S)-3-methyl-3-[(4S,8S)-4,8,12-trimethyltridecyl]oxiran-2-yl]methyl acetate is a natural product found in Laurencia translucida with data available.
Molecule SMILES: CCNNCC.Cl.Cl

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: 1,2-diethylhydrazine dihydrochloride is a white powder. (NTP, 1992)
Molecule SMILES: COc1cc(C(O)C(CO)Oc2c(OC)cc(C3Oc4c(OC)cc(C=CC=O)cc4C3CO)cc2OC)ccc1O

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: Buddlenol A is a lignan isolated from the seeds of Crataegus pinnatifida. It has a role as a plant metabolite. It is a member of benzofurans, a dimethoxybenzene, a primary alcohol, an aldehyde and a lignan.
Molecule SMILES: COc1cc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)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: Chrysosplenetin is a tetramethoxyflavone that is the 3,6,7,3'-tetramethyl ether derivative of quercetagetin. It has a role as an antiviral agent and a plant metabolite. It is a tetramethoxyflavone and a dihydroxyflavone. It is functionally related to a quercetagetin.
Molecule SMILES: COc1cc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)ccc1O

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: Chrysosplenetin is a natural product found in Haplophyllum myrtifolium, Cleome amblyocarpa, and other organisms with data available.
Molecule SMILES: O=C(OC1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C1OC(=O)c2cc(O)c(O)c(O)c2C2=C(O)C(=O)C34Oc5cc(O)c6c(c5C3C1OC(=O)C24)OC(c1cc(O)c(O)c(O)c1)C(O)C6)c1cc(O)c(O)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: [(10R,11S)-10-[(1R,8R,9S,13R,14S,15R,27S)-5,8,20,21,22,25-hexahydroxy-17,26,28-trioxo-9-(3,4,5-trihydroxyphenyl)-2,10,16,29-tetraoxaheptacyclo[12.12.3.01,13.03,12.06,11.018,23.024,27]nonacosa-3(12),4,6(11),18,20,22,24-heptaen-15-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate is a natural product found in Psidium guajava with data available.
Molecule SMILES: CC(=O)OCC12CCC(C)C(C)(CCc3ccoc3)C1CCC=C2COC(=O)CC(=O)OCC1=CCCC2C1(COC(C)=O)CCC(C)C2(C)CCc1ccoc1

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: Malonic acid bis[[(5alpha,8alpha,9S,10beta)-15,16-epoxy-18-acetoxycleroda-3,13(16),14-trien]-19-yl] ester is a natural product found in Baccharis tola with data available.
Molecule SMILES: O=C(CN1CCOCC1)NC1CCC(CCn2cc(C3CCCCC3)nn2)OC1CO

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: N-[(2R,3S,6R)-6-[2-(4-cyclohexyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide is an amino acid amide.
Molecule SMILES: C=C(C)C(=O)OC1C2OC(=O)C(=C)C2C(O)C(C(=C)C=O)C1(C)C1CO1

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: [4-hydroxy-6-methyl-3-methylidene-6-(oxiran-2-yl)-2-oxo-5-(3-oxoprop-1-en-2-yl)-4,5,7,7a-tetrahydro-3aH-1-benzofuran-7-yl] 2-methylprop-2-enoate is a natural product found in Zinnia with data available.
Molecule SMILES: CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)CCC4(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: 3,14-dihydroxy-10,13-dimethyl-17-(2,3,6-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one is a natural product found in Silene wallichiana and Rhaponticum carthamoides with data available.
Molecule SMILES: C=C1C(=O)OC2CC(C)=CCCC(C)=CCCC(C)(O)C(O)CC12

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: (3aR,5S,6R,9Z,13E,15aS)-5,6-dihydroxy-6,10,14-trimethyl-3-methylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-2-one is a natural product found in Sarcophyton crassocaule with data available.
Molecule SMILES: CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C

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: Notoginsenoside O is a natural product found in Panax pseudoginseng with data available.
Molecule SMILES: C=C1C(=O)OC2CC(=C)C3CCC(C)(OC4OC(COC(C)=O)C(O)C(O)C4O)C3CC12

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: Lemmonin A is a natural product found in Hymenoxys hoopesii, Hymenoxys lemmonii, and Hymenoxys richardsonii with data available.
Molecule SMILES: CN1C2CCCC1(O)CC2

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: Physoperuvine is a tropane alkaloid.
Molecule SMILES: CN1C2CCCC1(O)CC2

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: Physoperuvine is a natural product found in Physalis peruviana with data available.
Molecule SMILES: O=C(NCCN1CCNC1=O)Nc1ccccc1

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: Urea, N-(2-(2-oxo-1-imidazolidinyl)ethyl)-N'-phenyl- is a natural product found in Glycine max with data available.
Molecule SMILES: O=C(O)CCC=CC1OC(=O)C2CCC(O)C12

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: Bacillariolide III is a natural product found in Pseudo-nitzschia multiseries with data available.
Molecule SMILES: Nc1nc2c(ncn2C2OC(COP(=O)([O-])OC(=O)CCCCC3CCSS3)C(O)C2O)c(=O)[nH]1

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: (R)-lipoyl-GMP(1-) is an organophosphate oxoanion obtained by deprotonation of the phosphate OH group of (R)-lipoyl-GMP; major species at pH 7.3. It has a role as a mammalian metabolite. It is a conjugate base of a (R)-lipoyl-GMP.
Molecule SMILES: CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12

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: [(2S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol is a natural product found in Cinchona pubescens with data available.
Molecule SMILES: CC(O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([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: (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA(4-) is an acyl-CoA(4-) that is the tetraanion of (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups. It has a role as a human metabolite. It is a conjugate base of a (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA.
Molecule SMILES: CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CCC3C3COC(=O)C3)C12C

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: 20,21,22,23-tetrahydro-23-oxoazadirone is a limonoid that is 20,21,22,23-tetrahydroazadirone substituted by an additional oxo group at position 23. It has been isolated from Azadirachta indica. It has a role as a metabolite and a plant metabolite. It is an acetate ester, a cyclic terpene ketone, a limonoid, a tetracyclic triterpenoid and a butan-4-olide. It is functionally related to an azadirone.
Molecule SMILES: CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CCC3C3COC(=O)C3)C12C

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: 20,21,22,23-Tetrahydro-23-oxoazadirone is a natural product found in Azadirachta indica, Cedrela odorata, and other organisms with data available.
Molecule SMILES: CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1C(C=O)C(=O)OC

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: Corynan-16-carboxylic acid, 16,17,19,20-tetradehydro-17-hydroxy-, methyl ester, (16E,19E)- is a natural product found in Rhazya stricta, Catharanthus roseus, and Rauvolfia volkensii with data available.
Molecule SMILES: CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(O)c3c(c(O)c2C1O)C(=O)c1c(O)ccc(O)c1C3=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: Obelmycin A is a natural product found in Streptomyces purpurascens and Streptomyces violaceus with data available.
Molecule SMILES: Fc1ccc(-c2cc(-c3nnc4n3CCCCC4)c3ccccc3n2)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: 3-[2-(4-fluorophenyl)-4-quinolinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine is a member of quinolines.
Molecule SMILES: COc1cc(SC)ccc1C(=O)N1CCCCCC1

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-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone is a carbonyl compound and a thiol.
Molecule SMILES: O=C1c2c(O)cc(O)cc2OCC1Cc1ccc(O)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: (3R)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one is a natural product found in Soymida febrifuga, Eucomis montana, and other organisms with data available.
Molecule SMILES: Cc1cncc(C)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> The above is a compound. Could you please tell me something about it?

assistant: 2,6-Dimethylpyrazine is a member of pyrazines.
Molecule SMILES: Cc1cncc(C)n1

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: 2,6-Dimethylpyrazine is a metabolite found in or produced by Saccharomyces cerevisiae.
Molecule SMILES: Cc1cncc(C)n1

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: 2,6-Dimethylpyrazine is a natural product found in Coffea, Carica papaya, and other organisms with data available.