IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=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: PA(17:1(9Z)/0:0) is a 1-acyl-sn-glycerol 3-phosphate.
Molecule SMILES: CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(CO)OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)O3)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCC

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: Alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0) is an alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer in which the ceramide N-acyl group is specified as octadecanoyl. It is a conjugate acid of an alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(2-).
Molecule SMILES: O=c1cc(-c2ccc(O)c(O)c2)oc2c(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c(O)cc(O)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: Hypolaetin 8-O-gentiobioside is a natural product found in Althaea officinalis, Althaea armeniaca, and Althaea cannabina with data available.
Molecule SMILES: CC(=O)OCC1OC(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(O)C4C2(C)C)C(O)C(O)C1OC1OC(C)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: Describe this molecule: <molecule_2d> .

assistant: Astraverrucin VI is a natural product found in Astragalus verrucosus with data available.
Molecule SMILES: COc1cc2cc[nH]c2cc1OC1OC(C(=O)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: Tell me something about this molecule: <molecule_2d>

assistant: 6-Hydroxy-5-methoxyindole glucuronide is a glycoside.
Molecule SMILES: CC(C)C1CCC2(C)CCC3(C)CC(=O)C4(C)CC4C3C12

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: 5-Oxoepineoverrucosane is a natural product found in Fossombronia alaskana with data available.
Molecule SMILES: CC(C)(O)C1Cc2c(ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O)O1

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: Lupinisoflavone D is a member of isoflavones.
Molecule SMILES: CC(C)(O)C1Cc2c(ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O)O1

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: Lupinisoflavone D is a natural product found in Lupinus albus with data available.
Molecule SMILES: CC[NH+](CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)[nH+]c12

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: ICR 340(2+) is an ammonium ion that is ICR 340 (free base) in which the tertiary amino group and the nitrogen of the benzonaphthpyridine ring are protonated. It is a conjugate base of an ICR 340 (free base).
Molecule SMILES: CC1CC(O)C=CC(O)CCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1

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: (4R,6R,7Z,9R)-15-chloro-6,9,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),7,15,17-tetraene-2,12-dione is a natural product found in Humicola fuscoatra and Fusarium with data available.
Molecule SMILES: CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C

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: Jervine is a member of piperidines.
Molecule SMILES: CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C

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: Jervine is a natural product found in Veratrum stamineum, Veratrum grandiflorum, and other organisms with data available.
Molecule SMILES: CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C

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: Jervine is a steroidal alkaloid with molecular formula C27H39NO3 which is derived from the Veratrum plant genus. Similar to cyclopamine, which also occurs in the Veratrum genus, it is a teratogen implicated in birth defects when consumed by animals during a certain period of their gestation.
Molecule SMILES: COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(C)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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: 3beta-[(6-Deoxy-3-O-methyl-4-O-beta-D-glucopyranosyl-alpha-L-glucopyranosyl)oxy]-14beta-hydroxy-5alpha,14beta-card-20(22)-enolide is a natural product found in Thevetia peruviana and Thevetia neriifolia with data available.
Molecule SMILES: COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1

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: N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamic acid methyl ester is a member of acetamides.
Molecule SMILES: CC(=O)OC1CC2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)C2C1(O)CO

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

user: Tell me something about this molecule: <molecule_2d>

assistant: Jatamanvaltrate H is a natural product found in Nardostachys jatamansi and Valeriana jatamansi with data available.
Molecule SMILES: C=CCS(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Allyl methyl sulfone is a sulfone.
Molecule SMILES: Clc1ccc2c(c1)oc1c(Cl)cc(Cl)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: 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: CCCCCCCCCCCCCCCCCCCCCC(=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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: Docosanoyl-CoA is a very long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of docosanoic (behenic) acid. It is functionally related to a docosanoic acid. It is a conjugate acid of a docosanoyl-CoA(4-).
Molecule SMILES: CCCCCCCCCCCCCCCCCCCCCC(=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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Behenyl-coenzyme A is a natural product found in Apis cerana and Homo sapiens with data available.
Molecule SMILES: Cc1cc(O)c2c3c1C(=O)C1c4c(c(O)cc5cc(O)cc(C)c45)C3(COC2=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: Macrosporusone A is a natural product found in Talaromyces macrosporus with data available.
Molecule SMILES: COc1ccc(NC(=O)N(C)CC2Oc3ccc(NC(=O)Cc4ccccc4)cc3CC(=O)N(C(C)CO)CC2C)cc1

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

user: Describe this molecule: <molecule_2d> .

assistant: N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide is a member of ureas.
Molecule SMILES: COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc([N+](=O)[O-])s2)cc1

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: Necrosulfonamide is a sulfonamide that is a 3-methoxypyrazin-2-yl derivative of (E)-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophene-2-yl)acrylamide. Necrosulfonamide specifically blocks necrosis downstream of the activation of RIP3 (the receptor-interacting serine-threonine kinase 3), a key signalling molecule in the programmed necrosis (necroptosis) pathway. It is a sulfonamide, a member of pyrazines and a member of thiophenes.
Molecule SMILES: C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC(OCC(=O)O)C(O)C(=O)O)C6O)C(C)(C)C5CCC43C)C2C1

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: Betavulgaroside VIII is a diterpene glycoside.
Molecule SMILES: CC(=O)NC1C(OCC2OC(O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1O

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

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-[beta-D-Galp-(1->3)]-alpha-D-GalpNAc is a branched amino pentasaccharide comprising a linear tetrasaccharide chain of alpha-N-acetylneuraminyl, beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-alpha-D-galactosamine residues linked sequentially (2->6), (1->4) and (1->6), to the N-acetyl-alpha-D-galactosamine residue at the reducing end of which is also linked (1->3) a further beta-D-galactose residue. It is an amino pentasaccharide, a galactosamine oligosaccharide and a glucosamine oligosaccharide.
Molecule SMILES: C=C1CCC2C(C)(COC(C)=O)CCCC2(C)C1CCC(C)CC(=O)O

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

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

assistant: 18-Acetoxylabd-8(20)-en-15-oic acid is a natural product found in Pinus sylvestris with data available.
Molecule SMILES: CC1=CCCC(CO)=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: Provide a description of this molecule <molecule_2d> .

assistant: [(1R,2E,6E,10R)-7,11,11-trimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol is a natural product found in Anthopleura nigrescens with data available.
Molecule SMILES: C=C(C)C1OC2CCC3(C)C(CCC4(OC)OC5OC(C)(C)C6CC7C(=C)Cc8ccc9[nH]c(c5c9c8C76O)C43C)C23OC3C1O

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: Rhizovarin C is a natural product found in Mucor irregularis with data available.
Molecule SMILES: CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O)OC(=O)CCCCCCC

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: 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3'-phosphate) is a 1-phosphatidyl-1D-myo-inositol 3-phosphate in which both phosphatidyl acyl groups are specified as octanoyl. It is a 1-phosphatidyl-1D-myo-inositol 3-phosphate and an octanoate ester. It is a conjugate acid of a 1,2-dioctanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)(3-).
Molecule SMILES: CN(CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)C(=O)CNC(=O)CN

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: Troriluzole is under investigation in clinical trial NCT03701399 (Troriluzole in Adult Subjects With Spinocerebellar Ataxia).
Molecule SMILES: CN(CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)C(=O)CNC(=O)CN

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: Troriluzole is a formulation comprised of a prodrug form of the benzothiazole derivative riluzole, with potential anti-depressant, anxiolytic and antineoplastic activities. Following oral administration, troriluzole is converted into the active form riluzole. While the mechanism of action of riluzole is unknown, its pharmacological activities, some of which may be related to its effect, include the following: 1) an inhibitory effect on glutamate release, 2) inactivation of voltage-dependent sodium channels, and 3) interference with intracellular events that follow transmitter binding at excitatory amino acid receptors. These activities may result in myorelaxation and sedation due to the blockade of glutamatergic neurotransmission. Additionally, these activities may result in the inhibition of enzymes that are necessary for cell growth, which may decrease tumor cell growth and metastasis.
Molecule SMILES: C=C1C(=O)OC2C=C(C)C(O)CC=C(C)CC(OC(=O)C(=CC)CO)C12

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: [(3aR,4R,6E,9R,10E,11aS)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate is a natural product found in Eupatorium mikanioides with data available.
Molecule SMILES: COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C1OC1C2(O)C(=O)OC=C(C(=O)O)c1ccc(O)c(OC)c1

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

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: (Z)-3-[(1R,2S,4S,5S,6R,7S)-5-hydroxy-10-methoxycarbonyl-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-5-carbonyl]oxy-2-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid is a natural product found in Morinda citrifolia with data available.
Molecule SMILES: O=C(O)C1OC(Oc2ccc3ccc(=O)oc3c2O)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: 7,8-Dihydroxycoumarin-7-o-beta-d-glucuronide is a natural product found in Bazzania trilobata with data available.
Molecule SMILES: COC(=O)C1OC(O)C(=O)C2(C(O)C=C(C)C3OC(C)(C)C4CCC(C)=CC34)OC12

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: Trichothecrotocin E is a natural product found in Trichothecium crotocinigenum with data available.
Molecule SMILES: CC(CC1CC(C)(C)Oc2c1c(=O)n(C)c1ccccc21)=C1Cc2c(c3ccccc3n(C)c2=O)O1

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: (4S)-2,2,6-trimethyl-4-[(2E)-2-(5-methyl-4-oxo-3H-furo[3,2-c]quinolin-2-ylidene)propyl]-3,4-dihydropyrano[3,2-c]quinolin-5-one is a natural product found in Ptelea trifoliata with data available.
Molecule SMILES: CCC(=O)C=CC=CC=CC(O)CCCCCCCC(=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: (10E,12E,14E)-9-hydroxy-16-oxo-10,12,14-octadecatrienoic acid is an octadecatrienoic acid, a hydroxy monocarboxylic acid and a hydroxy fatty acid.
Molecule SMILES: COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(CO)C(O)C(O)C2O)ccc1O.[Cl-]

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: Peonidin 3-O-galactoside is an anthocyanidin glycoside.
Molecule SMILES: CC(=O)OCC(=CC=O)CCC=C(C)CCC=C(C)CCC=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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: [6,10,14-Trimethyl-2-(2-oxoethylidene)pentadeca-5,9,13-trienyl] acetate is a natural product found in Caulerpa brownii with data available.
Molecule SMILES: CC=CC=CC=C1C=C(CCC(=O)O)C(=O)OC1

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-(5-Hexa-2,4-dienylidene-2-oxopyran-3-yl)propanoic acid is a natural product found in Westerdykella multispora with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC1C2(C)CCCC(C)(C)C2C(=O)C2OC21C

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: [(1aR,6aR,7S,7aR)-3,3,6a,7a-tetramethyl-2-oxo-1a,2a,4,5,6,7-hexahydronaphtho[2,3-b]oxiren-7-yl]methyl octadecanoate is a natural product found in Lactarius uvidus with data available.
Molecule SMILES: COc1cc2c(c(O)c1CC=C(C)CCC=C(C)C)C(=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: Hericenone J is a natural product found in Hericium erinaceus with data available.
Molecule SMILES: CCCCOC(=O)c1ccccc1

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: Butyl benzoate is a benzoate ester obtained by condensation of benzoic acid and butanol. It is used as a perfume ingredient and as a solvent for cellulose ether, a dye carrier for textiles. It has a role as an antimicrobial food preservative, a fragrance and a plant metabolite.
Molecule SMILES: CCCCOC(=O)c1ccccc1

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: Butyl benzoate is a natural product found in Streptomyces, Mangifera indica, and other organisms with data available.
Molecule SMILES: Cc1ccc(C(=O)OCc2ccc(C(CN)C(=O)Nc3ccc4cnccc4c3)cc2)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: A Rho kinase inhibitor with norepinephrine transport inhibitory activity that reduces production of aqueous  As of December 18, 2017 the FDA approved Aerie Pharmaceutical's Rhopressa (netarsudil ophthalmic solution) 0.02% for the indication of reducing elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension. Acting as both a rho kinase inhibitor and a norepinephrine transport inhibitor, Netarsudil is a novel glaucoma medication in that it specifically targets the conventional trabecular pathway of aqueous humour outflow to act as an inhibitor to the rho kinase and norepinephrine transporters found there as opposed to affecting protaglandin F2-alpha analog like mechanisms in the unconventional uveoscleral pathway that many other glaucoma medications demonstrate.
Molecule SMILES: Cc1ccc(C(=O)OCc2ccc(C(CN)C(=O)Nc3ccc4cnccc4c3)cc2)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: Please give me some details about this molecule <molecule_2d> .

assistant: Netarsudil is a Rho Kinase Inhibitor. The mechanism of action of netarsudil is as a Rho Kinase Inhibitor.
Molecule SMILES: Cc1ccc(C(=O)OCc2ccc(C(CN)C(=O)Nc3ccc4cnccc4c3)cc2)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: Netarsudil is an amino-isoquinoline amide and inhibitor of Rho kinase (ROCK) and norepinephrine transporter (NET), with potential intraocular pressure (IOP)-lowering activity. Upon ocular administration, netarsudil inhibits ROCK and the Rho pathway, increases aqueous humor (AH) outflow via the trabecular pathway, and lowers IOP. In addition, netarsudil may lower IOP by decreasing episcleral venous pressure and decreasing the production of aqueous humor through inhibition of NET.
Molecule SMILES: COc1cc(O)c2c(O)c3c(cc2c1)C(=O)C(C)=CC3=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: Isoviocristin is a natural product found in Senna multiglandulosa and Aspergillus cristatus with data available.
Molecule SMILES: CC1(C)CCCC2(C)C1CCC1(C)C3CC=C(C=O)CC3(C)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 12-Hydroxy-4b,7,7,10a,12a-pentamethyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydrochrysene-2-carbaldehyde is a natural product found in Collospongia auris with data available.
Molecule SMILES: CS(=O)(=O)c1ccc(C#N)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: 4-(Methylsulfonyl)benzonitrile is a sulfonic acid derivative.