IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)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: Please give me some details about this molecule <molecule_2d> .

assistant: Foetidissimoside D is a natural product found in Cucurbita foetidissima with data available.
Molecule SMILES: O=C(Oc1c(O)cc2c(c1O)-c1c(cc(O)c(O)c1O)C(=O)OCC1OC(OC(=O)c3cc(O)c(O)c(O)c3)C(O)C(OC2=O)C1O)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: Mallorepanin is a natural product found in Cunonia macrophylla with data available.
Molecule SMILES: CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

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

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

assistant: Unii-4N5Z068gaz is a natural product found in Pulsatilla campanella, Symphytum officinale, and other organisms with data available.
Molecule SMILES: CON=C(C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C)CSC12)c1csc(N)n1.Cl

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: Cefetamet Pivoxil Hydrochloride is the hydrochloride salt form of cefetamet pivoxil, a pivalate ester prodrug form of a cefetamet. After oral administration of cefetamet pivoxil hydrochloride, the ester bond is cleaved, releasing active cefetamet.
Molecule SMILES: COc1cc(C=CC(=O)OCC2OC(OC3C(OC(=O)C=Cc4ccc(O)c(OC)c4)C(CO)OC(OC4(COC(=O)C=Cc5ccc(O)cc5)OC(CO)C(O)C4OC(=O)c4ccccc4)C3OC3OC(CO)C(O)C(O)C3O)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: Dalmaisiose L is a natural product found in Polygala myrtifolia with data available.
Molecule SMILES: O=C1C2=C(C(=O)c3c(O)cccc31)C1(O)CC2C(=O)c2c(O)cccc21

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: Engelharquinone is a natural product found in Engelhardia roxburghiana with data available.
Molecule SMILES: C=CC(=O)OCC(CC)CCCC

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-ethylhexyl acrylate appears as a clear colorless liquid with a pleasant odor. Less dense than water and insoluble in water. Vapors heavier than air. Flash point 180 °F. Used in making of paints and plastics.
Molecule SMILES: C=CC(=O)OCC(CC)CCCC

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: 2-Ethylhexyl acrylate is an enoate ester.
Molecule SMILES: COC(=O)C1=COC(C)C2CN3C(C(=O)O)Cc4c([nH]c5ccccc45)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: 5|A-Carboxytetrahydroalstonine is a natural product found in Adina eurhyncha with data available.
Molecule SMILES: CNC(=O)Oc1ccc(C)c(C)c1

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

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

assistant: Xylylcarb is a carbamate ester. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a carbamate insecticide and an agrochemical. It is functionally related to a methylcarbamic acid and a 3,4-xylenol.
Molecule SMILES: CNC(=O)Oc1ccc(C)c(C)c1

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

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

assistant: Xylylcarb is a synthetic carbamate ester compound, derived from a methylcarbamic acid and a 3,4-xylenol, and a acetylcholinesterase inhibitor that is used as a pesticide. It is characterized as a white solid, and exposure occurs by inhalation, ingestion, or contact.
Molecule SMILES: CNC(=O)Oc1ccc(C)c(C)c1

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

user: Describe this molecule: <molecule_2d> .

assistant: Xylylcarb is a carbamate pesticide. Carbamate pesticides are derived from carbamic acid and kill insects in a similar fashion as organophosphate insecticides. They are widely used in homes, gardens and agriculture. The first carbamate, carbaryl, was introduced in 1956 and more of it has been used throughout the world than all other carbamates combined. Because of carbaryl's relatively low mammalian oral and dermal toxicity and broad control spectrum, it has had wide use in lawn and garden settings. Most of the carbamates are extremely toxic to Hymenoptera, and precautions must be taken to avoid exposure to foraging bees or parasitic wasps. Some of the carbamates are translocated within plants, making them an effective systemic treatment. (L795)
Molecule SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO

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: 16-hydroxyhexadecanoyl-CoA is an omega-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 16-hydroxyhexadecanoic acid. It has a role as a plant metabolite. It is an omega-hydroxy fatty acyl-CoA, a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It is functionally related to a 16-hydroxyhexadecanoic acid. It is a conjugate acid of a 16-hydroxyhexadecanoyl-CoA(4-).
Molecule SMILES: CC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=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: Ala-Phe-Trp-Asn is a tetrapeptide composed of L-alanine, L-phenylalanine, L-tryptophan, and L-asparagine joined in sequence by peptide linkages. It has a role as a metabolite. It is functionally related to a L-alanine, a L-phenylalanine, a L-tryptophan and a L-asparagine.
Molecule SMILES: CC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=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: Provide a description of this molecule <molecule_2d> .

assistant: Ala-Phe-Trp-Asn is a natural product found in Trypanosoma brucei with data available.
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(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(O)C8NC(C)=O)C7O)C(O)C6NC(C)=O)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: CID 91860838 is a polysaccharide.
Molecule SMILES: OCC1OC(OCCC2(O)CCC(O)CC2)C(O)C(O)C1O

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

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

assistant: Rengyoside A is a natural product found in Forsythia suspensa and Millingtonia hortensis with data available.
Molecule SMILES: C=C1CCC2C(OC(=O)C2(O)CO)C2C(=C)CCC12

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: 11alpha,13-Dihydroxydehydrocostuslactone is a natural product found in Helianthus petiolaris with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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: Hentriacontanoic acid is a very long-chain fatty acid.
Molecule SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)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: Hentriacontanoic acid is a natural product found in Rhizophora apiculata, Chamaecrista kleinii, and other organisms with data available.
Molecule SMILES: CC1CN(C(C)CO)C(=O)Cc2cc(N(C)C)ccc2OC1CN(C)C(=O)Nc1cccc2ccccc12

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: 1-[[(2R,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea is a member of naphthalenes.
Molecule SMILES: CN(C)C(=O)c1ccc(-c2ccc3c(c2)C2C(CCN2C(=O)C2CCC2)C(CO)N3C)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: 4-[(3aS,4R,9bR)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide is a member of quinolines.
Molecule SMILES: O=C([O-])C(O)Cc1ccc(O)cc1

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: 3-(4-hydroxyphenyl)lactate is a 2-hydroxy carboxylate that is obtained by removal of a proton from the carboxylic acid group of 3-(4-hydroxyphenyl)lactic acid. It has a role as a human metabolite. It is a hydroxy monocarboxylic acid anion and a 2-hydroxy carboxylate. It is functionally related to a lactate. It is a conjugate base of a 3-(4-hydroxyphenyl)lactic acid.
Molecule SMILES: CC(C)=CCCC1(C)C2CC=C(C)C1C2

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: (-)-endo-alpha-bergamotene is a cis-alpha-bergamotene that has (S,S,S)-configuration. It has a role as a plant metabolite.
Molecule SMILES: CC(C)=CCCC1(C)C2CC=C(C)C1C2

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: (-)-Endo-alpha-bergamotene is a natural product found in Curcuma amada, Widdringtonia whytei, and other organisms with data available.
Molecule SMILES: CC1CCC2=C(CCCC2(C)C)C1(C)CCC(CCCc1ccoc1)COS(=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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: [(2S)-5-(furan-3-yl)-2-[2-(1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl)ethyl]pentyl] hydrogen sulfate is a natural product found in Halichondriidae with data available.
Molecule SMILES: CC(Br)(CCl)C1CC(O)C(C)(C(Cl)=CBr)O1

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,3S,5R)-2-[(Z)-2-bromo-1-chloroethenyl]-5-[(2R)-2-bromo-1-chloropropan-2-yl]-2-methyloxolan-3-ol is a natural product found in Plocamium cartilagineum with data available.
Molecule SMILES: CC=C(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO

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,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-10-acetyloxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid is a natural product found in Eryngium campestre with data available.
Molecule SMILES: CC1CC(O)C2(OC1=O)OC1C(O)C3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

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,2S,3R,3'R,4R,5'S,6R,7S,8R,9R,12R,13R,16S,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5'-dihydroxy-3',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,6'-oxane]-2'-one is a natural product found in Solanum nigrum with data available.
Molecule SMILES: CC1CCCCOC(CN(C)S(=O)(=O)c2cn(C)cn2)C(C)CN(C(C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1

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-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide is an azamacrocycle and a lactam.
Molecule SMILES: Oc1cc(O)cc(C2c3c(C=Cc4ccc(O)c(O)c4)cc(O)cc3OC2c2ccc(O)c(O)c2)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: 4-[2-[2-(3,4-Dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-1-benzofuran-4-yl]ethenyl]benzene-1,2-diol is a natural product found in Bolboschoenus fluviatilis and Picea jezoensis with data available.
Molecule SMILES: CC=C(C(=O)O)N1C(=O)C=C(C)C1=O

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

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

assistant: Pencolide is a natural product found in Penicillium citreonigrum with data available.
Molecule SMILES: C=C(C)C1CC(=O)c2oc3c4c(cc(O)c3c(=O)c2C1)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (9S)-6-hydroxy-3,3-dimethyl-9-prop-1-en-2-yl-9,10-dihydro-8H-pyrano[2,3-c]xanthene-7,11-dione is a natural product found in Artocarpus altilis, Artocarpus elasticus, and Artocarpus scortechinii with data available.
Molecule SMILES: CC1(C)C=CC2OC(=O)C3(O1)C(C)(O)CCC(OC(=O)c1ccccc1)C23C

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: [(1S,2S,5S,6S,7S)-2-hydroxy-2,6,10,10-tetramethyl-12-oxo-11,13-dioxatricyclo[5.4.2.01,6]tridec-8-en-5-yl] benzoate is a natural product found in Mortonia hidalgensis with data available.
Molecule SMILES: O=c1ccccc(Sc2ccccc(=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: Provide a brief overview of this molecule <molecule_2d> .

assistant: 2,4,6-Cycloheptatrien-1-one, 2,2'-thiobis(7-hydroxy- is a natural product found in Burkholderia cepacia with data available.
Molecule SMILES: COc1cc(-c2cc(OC)c3c(c2O)CC(C)=CCCC(C)=CC3)c(O)c2c1CC=C(C)CCC=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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Flavidulol C is a member of methoxybenzenes.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(OC6OC(CO)C(O)C(OC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C6O)C(O)C5NC(C)=O)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(O)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C6O)C(O)C5NC(C)=O)C(O)C4O)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: CID 91853366 is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: CC1(C)CCC=[N+]1[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: 5,5-dimethyl-1-pyrroline N-oxide is a member of the class of 1-pyrroline nitrones (1-pyrroline N-oxides) resulting from the formal N-oxidation of 5,5-dimethyl-1-pyrroline. Used as a spin trap for the study of radicals formed by enzymatic acetaldehyde oxidation. It has a role as a neuroprotective agent and a spin trapping reagent. It is functionally related to a 5,5-dimethyl-1-pyrroline.
Molecule SMILES: CC1(O)CCC2C(=CCCC2(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: alpha-Ambrinol is a natural product found in Bellardia trixago with data available.
Molecule SMILES: OCC1OC(C(O)C(O)C(O)C2OC(CO)C(O)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: Provide a description of this molecule <molecule_2d> .

assistant: (2R,3R,4S,5R)-2-(hydroxymethyl)-6-[1,2,3-trihydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]oxane-3,4,5-triol is a natural product found in Glycine max with data available.
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(O)C5O)C(OC5OC(C)C(O)C(O)C5O)C4NC(C)=O)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: Provide a description of this molecule <molecule_2d> .

assistant: (2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,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]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-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 polysaccharide.
Molecule SMILES: COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3

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: (6aS)-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is a natural product found in Annona purpurea, Annona mucosa, and other organisms with data available.
Molecule SMILES: COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c2oc3cc(O)c(O)cc3c12

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: Pierotin B is a natural product found in Pieris japonica with data available.
Molecule SMILES: CC(C)NCC(O)COc1ccc(CCOCC2CC2)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: Betaxolol is a cardioselective beta-blocker used in the treatment of hypertension. Betaxolol has not been linked to instances of clinically apparent drug induced liver injury.
Molecule SMILES: CC(C)NCC(O)COc1ccc(CCOCC2CC2)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: Betaxolol is a propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydoxy is substituted by a 4-[2-(cyclopropylmethoxy)ethyl]phenyl group and one of the hydrogens attached to the amino group is substituted by isopropyl. It is a selective beta1-receptor blocker and is used in the treatment of glaucoma as well as hypertension, arrhythmias, and coronary heart disease. It is also used to reduce non-fatal cardiac events in patients with heart failure. It has a role as a beta-adrenergic antagonist, an antihypertensive agent and a sympatholytic agent.
Molecule SMILES: CC(C)NCC(O)COc1ccc(CCOCC2CC2)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: A cardioselective beta-1-adrenergic antagonist with no partial agonist activity.
Molecule SMILES: CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1

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: Betaxolol is a beta-Adrenergic Blocker. The mechanism of action of betaxolol is as an Adrenergic beta-Antagonist.
Molecule SMILES: CC(C)NCC(O)COc1ccc(CCOCC2CC2)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: Betaxolol is a racemic mixture and selective beta-1 adrenergic receptor antagonist with antihypertensive and anti-glaucoma activities and devoid of intrinsic sympathomimetic activity. Betaxolol selectively and competitively binds to and blocks beta-1 adrenergic receptors in the heart, thereby decreasing cardiac contractility and rate. This leads to a reduction in cardiac output and lowers blood pressure. When applied topically in the eye, this agent reduces aqueous humor secretion and lowers the intraocular pressure (IOP). In addition, betaxolol prevents the release of renin, a hormone secreted by the kidneys that causes constriction of blood vessels.