IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: O=C1OCC2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O)C1OC(=O)c2c-4c(O)c(O)c(O)c2C1c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(OC1OC(CO)C(O)C(O)C1O)C2=O

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

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Mongolicin A is a natural product found in Quercus mongolica with data available.
Molecule SMILES: CC=C(C)C=C(C)c1oc(OC)c(C)c(=O)c1C

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: Isoplacidene B is a natural product found in Placida dendritica with data available.
Molecule SMILES: COc1c(O)c(C)c(CC=C(C)C)c(O)c1OC

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: Ubiquinol is a member of hydroquinones. It has a role as an Escherichia coli metabolite and a mouse metabolite.
Molecule SMILES: COc1c(O)c(C)c(CC=C(C)C)c(O)c1OC

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: Ubiquinol-1 is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: CC1OC(=O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)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: 8-Epikingisidic acid is a natural product found in Ligustrum ovalifolium, Phillyrea latifolia, and other organisms with data available.
Molecule SMILES: C=CC(C)(CCC=C(C)CCC=C(C)CC(O)C=C(C)C(=O)O)OC1OC(CO)C(O)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: Please give me some details about this molecule <molecule_2d> .

assistant: (2E,4R,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid is a natural product found in Capsicum annuum with data available.
Molecule SMILES: CNCC1OCCCCC(C)Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C(=O)N(C(C)CO)CC1C

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: 1-(3,5-dimethyl-4-isoxazolyl)-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea is a lactam and an azamacrocycle.
Molecule SMILES: C=C1C(=O)C23C(O)C1CC(OC(C)=O)C2C12CCCC(C)(C)C1C(O)C3(O)OC2

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,3S,5S,8R,9S,10S,11R,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl] acetate is a natural product found in Isodon xerophilus with data available.
Molecule SMILES: CC(=CCO)COC1OC(CO)C(O)C(OC(=O)Cc2ccccc2)C1OC(=O)Cc1ccc(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: Provide a brief overview of this molecule <molecule_2d> .

assistant: Hymenoside J is a natural product found in Hymenophyllum barbatum with data available.
Molecule SMILES: O=C(Cc1cccnc1)NC1CCC(CCNS(=O)(=O)c2ccccc2Cl)OC1CO

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: N-[(2S,3R,6S)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide is a C-glycosyl compound.
Molecule SMILES: CC1CCC2(C)CCC3(C)C(=CCC4C3CCC3C(C)(C)C(O)CCC43C)C2C1C

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: (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aS,14bR)-4,4,6b,8a,11,12,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,11,12,12a,14,14a-hexadecahydropicen-3-ol is a natural product found in Euphorbia hirta with data available.
Molecule SMILES: Cc1cc(O)c2c(c1)C(=O)c1c(O)c(-c3cc(O)c4c(c3O)C(=O)c3cc(C)cc(O)c3C4=O)cc(O)c1C2=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: 2,2'-Bis-(7-methyl-1,4,5-trihydroxy-anthracene-9,10-dione) is a natural product found in Talaromyces stipitatus with data available.
Molecule SMILES: CN1C(=O)CC(C(=O)NC(Cc2cnc[nH]2)C(=O)N2CCCC2C(N)=O)NC1=O.O.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 provide a description of this molecule <molecule_2d> ?

assistant: Taltirelin tetrahydrate is a hydrate that is the tetrahydrate form of taltirelin. It activates neuronal cells by promoting the release and turnover of neurotransmitters (acetylcholine, dopamine) and its nerve growth factor-like action. The drug is approved in Japan and used to treat ataxia (daily activities such as gait, eating, and conversation) in patients suffering from spinocerebellar degeneration. It has a role as a central nervous system drug. It contains a taltirelin.
Molecule SMILES: CN1C(=O)CC(C(=O)NC(Cc2cnc[nH]2)C(=O)N2CCCC2C(N)=O)NC1=O.O.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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Taltirelin Hydrate is the hydrate of tatirelin, a thyrotropin releasing hormone (TRH) analogue with potential neuroprotective, analgesic and central nervous system-stimulating (CNS)/analeptic activities. Taltirelin mimics the physiological actions of TRH on the CNS while exerting a minimal effect on the release of thyrotrophin (TSH) from the anterior lobe of the pituitary. Like TRH, the mechanism of action of this agent in the CNS has not been fully elucidated mechanism, but may involve various cerebral monoamine pathways. Compared to TRH, taltirelin has a much longer half-life and duration of effects.
Molecule SMILES: O=C1CCC2=C1NCOC2

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: 2,4,5,6-tetrahydro-1H-cyclopenta[d][1,3]oxazin-7-one is a natural product found in Ziziphus jujuba 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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: (9R)-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 and Artocarpus elasticus with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCCCS

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: 1-octadecanethiol appears as white powder with an extremely unpleasant smell. May be harmful by ingestion, inhalation or through skin contact. Eye, skin and respiratory irritant.
Molecule SMILES: CC(C)=CCCC(C)=CCCC(C)=CCO

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: Farnesol is a farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1. It has a role as a plant metabolite, a fungal metabolite and an antimicrobial agent. It is a farnesane sesquiterpenoid, a primary alcohol and a polyprenol.
Molecule SMILES: CC(C)=CCCC(C)=CCCC(C)=CCO

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-trans,6-trans)-Farnesol is a metabolite found in or produced by Saccharomyces cerevisiae.
Molecule SMILES: CC(C)=CCCC(C)=CCCC(C)=CCO

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: trans,trans-Farnesol is a natural product found in Lonicera japonica, Psidium guajava, and other organisms with data available.
Molecule SMILES: CC(C)=CC=CC(C)C1CCC2(C)CC3C4C(=CCC12)COC4(O)CC3(C)O

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: (1S,3R,6R,7S,9E,13R,15R,16R)-3,15-dimethyl-6-[(2S,3Z)-6-methylhepta-3,5-dien-2-yl]-12-oxatetracyclo[8.5.1.03,7.013,16]hexadec-9-ene-13,15-diol is a natural product found in Aspergillus ustus with data available.
Molecule SMILES: O=Cc1c(-c2ccccc2)nc2ccccn12

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-phenyl-3-imidazo[1,2-a]pyridinecarboxaldehyde is a member of imidazoles.
Molecule SMILES: CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: (2S,3R,4S,5S,6S)-2-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Tribulus terrestris and Tribulus parvispinus with data available.
Molecule SMILES: Cc1c(O)c(C(=O)O)c(O)c2c1C(C)C(C)OC2O

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: Citrinin hydrate is a natural product found in Penicillium with data available.
Molecule SMILES: CCOC(=O)C1=CC(=O)C2CC1(C)C1CCC3(C)C(C(C)C4OC4C(C)C(C)C)CCC34OC14C2O

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: Steresterone A is a natural product found in Stereum hirsutum with data available.
Molecule SMILES: C=C(C)C12OC3(C=CCCCCCCC)OC1C1C4OC4(CO)C(O)C4(O)C(=O)C(C)=CC4C1(O3)C(C)C2OC(C)=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: [(1R,2R,6S,7S,8R,10S,11R,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-[(E)-non-1-enyl]-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] acetate is a natural product found in Daphne genkwa with data available.
Molecule SMILES: C=C(C)C(C)CCC(C)C1CCC2(C)C3CCC4C(C)C(OC(C)=O)CCC45CC35CCC12C

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: [(1S,3R,6S,7S,8S,11S,12S,15R,16R)-15-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate is a natural product found in Goniophlebium mengtzeense with data available.
Molecule SMILES: COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O

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

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

assistant: Spinacetin 3-glucoside is a glycoside and a member of flavonoids.
Molecule SMILES: O=[Si](O)O.[Ca+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: Pseudowollastonite is a mineral with formula of CaSiO3. The corresponding IMA (International Mineralogical Association) number is IMA1962 s.p.. The IMA symbol is Pwo.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(OC6OC(COC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C(O)C(O)C6O)C(O)C5NC(C)=O)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(COC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C(O)C(O)C6O)C(O)C5NC(C)=O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)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: Describe this molecule: <molecule_2d> .

assistant: CID 91854012 is a polysaccharide.
Molecule SMILES: CC(=O)OC1CCC2C3CCC4CC(=NOc5ccc([N+](=O)[O-])cc5)C(Cl)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Nisterime acetate is a steroid ester.
Molecule SMILES: CC(=O)Nc1c2sscc-2n(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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: Thiolutin is a dithiolopyrrolone antibiotic that is 4,5-dihydro[1,2]dithiolo[4,3-b]pyrrole in which the hydrogens at positions 4,5 and 6 have been replaced by methyl, oxo and acetamido groups, respectively. It is a potent inhibitor of RNA polymerases, inhibits the angiogenesis of human umbilical vein endothelial cells, and also inhibits JAMM metalloproteases. It has a role as an angiogenesis inhibitor, a chelator, a protein synthesis inhibitor, an EC 2.7.7.6 (RNA polymerase) inhibitor, an antibacterial agent, a toxin, a marine metabolite, a bacterial metabolite, an antifungal agent and an antineoplastic agent. It is a dithiolopyrrolone antibiotic and a member of acetamides. It is functionally related to a holomycin.
Molecule SMILES: CC(=O)Nc1c2sscc-2n(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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: Thiolutin is a natural product found in Saccharothrix algeriensis, Streptomyces kasugaensis, and Streptomyces celluloflavus with data available.
Molecule SMILES: CCC(C)C(=O)OC1CCCC2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21

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-[2-(4-Hydroxy-6-oxooxan-2-yl)ethyl]-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] 2-methylbutanoate is a natural product found in Penicillium javanicum with data available.
Molecule SMILES: C#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)C(CC1CC1)c1ccc(C)c(F)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: SSR 125543 is an amine.
Molecule SMILES: CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC1C

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: Bananamide 3 is a natural product found in Pseudomonas synxantha with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4NC(C)=O)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5NC(C)=O)C(O)C4OC4OC(CO)C(O)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> What do you know about the molecule?

assistant: N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is an amino sugar.
Molecule SMILES: C=C1C(=O)OC2C1C(O)CC1(C)CCC=C(C)C21

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,4R,5aR,9aR,9bR)-4-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one is a natural product found in Cassinia subtropica with data available.
Molecule SMILES: CCCCCCCCCCCC1=C(O)C(=C2C(=O)Oc3c2cc(OC)c(O)c3CCCCCCCCCCC)OC1=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: 10-Hydroxy-4-O-methyl-2,11-diundecylgomphilactone is a natural product found in Aegiceras corniculatum with data available.
Molecule SMILES: OCC1OC(Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)cc23)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (2S,4S,5S)-2-[3-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Sambucus nigra with data available.
Molecule SMILES: O=C(Cc1nc2ccccc2[nH]c1=O)c1cccs1

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: 3-(2-oxo-2-thiophen-2-ylethyl)-1H-quinoxalin-2-one is a quinoxaline derivative.
Molecule SMILES: C=CCN=C=S

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: Allyl isothiocyanate, stabilized appears as a colorless to pale-yellow oily liquid with an irritating odor. Flash point 135 °F. Boiling point 300 °F. Poisonous by ingestion and skin absorption. Emits toxic fumes when heated to high temperature. Insoluble in water and slightly denser than water. Hence sinks in water. Used to make other chemicals and as a fumigant.
Molecule SMILES: C=CCN=C=S

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: Allyl isothiocyanate is an isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152℃, it is responsible for the pungent taste of mustard, horseradish, and wasabi. It has a role as a lachrymator, a metabolite, an antimicrobial agent, an apoptosis inducer and an antineoplastic agent. It is an isothiocyanate and an alkenyl isothiocyanate.
Molecule SMILES: C=CCN=C=S

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: Allyl isothiocyanate is a natural product found in Alyssum turkestanicum, Alliaria petiolata, and other organisms with data available.
Molecule SMILES: C=CCN=C=S

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: Allyl isothiocyanate is a volatile organic compound. Allyl isothiocyanate (AITC) is a constituent of mustard, horseradish and wasabi and certain vegetables found in the human diet, mostly in cruciferous vegetables. AITC is a colorless to pale yellow liquid that is slightly soluble in water, but well soluble in most organic solvents. AITC possesses numerous biochemical and physiological activities. It is cytotoxic and tumorigenic at high doses and also is a modulator of enzymes involved in metabolism of xenobiotics, including carcinogens. It is plausible that the wide consumption of dietary AITC may have profound effects on human health. oxidative DNA damage may play important roles in carcinogenic processes induced by AITC. Allergic contact dermatitis from AICT is well known but infrequently reported. AITC is occasionally found as a volatile component of normal human biofluids. (A7698, A7770, A7771, A7772, A7773).
Molecule SMILES: Clc1ccc2c(oc3c(Cl)cc(Cl)c(Cl)c32)c1Cl

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: Chlorinated dibenzofurans (CDFs) are a family of chemical that contain one to eight chlorine atoms attached to the carbon atoms of the parent chemical, dibenzofuran. The CDF family contains 135 individual compounds (known as congeners) with varying harmful health and environmental effects. Of these 135 compounds, those that contain chlorine atoms at the 2,3,7,8-positions of the parent dibenzofuran molecule are especially harmful. Other than for laboratory use of small amounts of CDFs for research and development purposes, these chemicals are not deliberately produced by industry. Most CDFs are produced in very small amounts as unwanted impurities of certain products and processes utilizing chlorinated compounds. Only a few of the 135 CDF compounds have been produced in large enough quantities so that their properties, such as color, smell, taste, and toxicity could be studied. (L952)
Molecule SMILES: CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)C(=O)CC12C

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: [6-[3,16-Dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate is a natural product found in Hemsleya chinensis with data available.