IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: O=C(O)C1C=CC2CC3C(Cc4ccc5c(c4)OCO5)C4C=CC1C2C43

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: tsangibeilin B, rel- is a natural product found in Beilschmiedia tsangii with data available.
Molecule SMILES: CCC1C(=O)CC2C3CCC4C(O)C(O)C(O)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: (2R,3R,4R,5R,8R,9S,10R,13S,14S,17R)-17-ethyl-2,3,4-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one is a natural product found in Trichilia claussenii with data available.
Molecule SMILES: COC(=O)c1ccc(O)c(C(C=C(C)C)c2c(OC)cc(O)c(C(=O)CCc3ccccc3)c2O)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: methyl 3-[(1R)-1-[2,4-dihydroxy-6-methoxy-3-(3-phenylpropanoyl)phenyl]-3-methylbut-2-enyl]-4-hydroxybenzoate is a natural product found in Piper aduncum with data available.
Molecule SMILES: CNC(C)C(=O)NC1CN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCC4CCC(C(=O)NC(c5ccccc5)c5ccccc5)N4C(=O)C(NC(=O)C(C)NC)C3)c2)CCC2CCC(C(=O)NC(c3ccccc3)c3ccccc3)N2C1=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: APG-1387 is under investigation in clinical trial NCT04568265 (A Clinical Study of APG-1387 in Combination With Entecavir in Patients With Chronic Hepatitis B).
Molecule SMILES: CNC(C)C(=O)NC1CN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCC4CCC(C(=O)NC(c5ccccc5)c5ccccc5)N4C(=O)C(NC(=O)C(C)NC)C3)c2)CCC2CCC(C(=O)NC(c3ccccc3)c3ccccc3)N2C1=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: IAP Inhibitor APG-1387 is a small molecule, second mitochondria-derived activator of caspases (SMAC)-mimetic targeting inhibitor of apoptosis proteins (IAPs) with potential apoptosis-inducing and antineoplastic activities. Upon administration, IAP inhibitor APG-1387 selectively binds to and inhibits the activity of IAPs including X chromosome-linked IAP (XIAP) and cellular IAPs 1 (c-IAP1) and 2 (c-IAP2). This may restore and promote the induction of apoptosis through apoptotic signaling pathways and enhance proteasomal degradation of IAPs. Additionally, APG-1387 may work synergistically with cytotoxic drugs to overcome tumor cell resistance to apoptosis. IAPs are overexpressed by many cancer cell types, suppressing apoptosis by binding and inhibiting active caspases-3, -7 and -9 via their BIR (baculoviral lAP repeat) domains.
Molecule SMILES: COC12CC3(C)C(C)CC(=O)C3(C)C(C)C1=CC(=O)O2

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: 4a,6,7,7a,8,8a-Hexahydro-8aalpha-methoxy-4beta,4abeta,7beta,7abeta-tetramethyl-2H-indeno[5,6-b]furan-2,5(4H)-dione is a natural product found in Aneura pinguis with data available.
Molecule SMILES: COC(=O)C(O)CC(OC)c1c(O)ccc(C(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: Aspergilate D is a natural product found in Aspergillus with data available.
Molecule SMILES: COCC1(C)CCCC2(C(=O)OC)C1C(Cl)C(O)C1(C)C3=Cc4c5c(cc(Cl)c4C3(C)C(O)CC12O)OCO5

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: Merosterol B is a natural product found in Scytonema with data available.
Molecule SMILES: Cc1cc(O)c2c(c1)C1OC(=O)C(C(C)O)N1C1=C2C(=O)c2cccc(OC3CC(O)C(O)C(C)O3)c2C1=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: (3S,6R)-19-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-3-[(1R)-1-hydroxyethyl]-9-methyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione is a natural product found in Streptomyces venezuelae with data available.
Molecule SMILES: COC(=O)CC1CCC2C(COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)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: 2-[(2R,4aS,12aS)-8-[[(3,5-difluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester is an organohalogen compound and a carbonyl compound.
Molecule SMILES: [NH3+]C(CO)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: L-serinium is a serinium that is the conjugate acid of L-serine, obtained by protonation of the amino group. It is a conjugate acid of a L-serine. It is an enantiomer of a D-serinium.
Molecule SMILES: COc1ccc(OC(=O)N(C)CC2OCc3cnnn3CCCC(=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: Could you provide a description of this molecule <molecule_2d> ?

assistant: N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcarbamic acid (4-methoxyphenyl) ester is an azamacrocycle and a lactam.
Molecule SMILES: C=C(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)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> The above is a compound. Could you please tell me something about it?

assistant: (8S,9R,13R,14S,16R,17R)-17-[(2R,4E)-2,3-dihydroxy-6-methylhepta-4,6-dien-2-yl]-3,16-dihydroxy-4,9,13,14-tetramethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-11-one is a natural product found in Fevillea trilobata with data available.
Molecule SMILES: CC1CN(C(C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC1CN(C)C(=O)NC1CCCCC1

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-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide is an aromatic amide.
Molecule SMILES: C=C1C(=O)OC2C=C(C)CCC=C(C(=O)OC)C(O)C(OC(=O)C(C)=CC)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: methyl (3aS,4S,5S,6E,10E,11aR)-5-hydroxy-10-methyl-4-[(E)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate is a natural product found in Enydra fluctuans with data available.
Molecule SMILES: CCC(C)C(=O)OC(CC1(C)C(C)CC(O)C2(CO)C1CCCC21CO1)C1=CC(=O)OC1

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)-2-[(1S,2R,4S,4aR,5R,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate is a natural product found in Ajuga ciliata with data available.
Molecule SMILES: C=CC(C)(C)c1[nH]c2ccccc2c1C=C1NC(=O)C2(OC)C(O)CCN2C1=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: (+/-)-8-hydroxy-brevianamide R is a natural product found in Aspergillus versicolor with data available.
Molecule SMILES: CC=CC1CC(O)c2cc(C)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: Myrochromanol is a natural product found in Paramyrothecium roridum with data available.
Molecule SMILES: CC(=O)OCC12C(=O)CC(C)C3(CC(c4ccoc4)OC3=O)C1CCCC21CO1

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: 19-Acetylgnaphalin is a natural product found in Teucrium polium, Teucrium capitatum, and other organisms with data available.
Molecule SMILES: CCC12CC(C(=O)OC)=C3Nc4ccccc4C34CCN(CC3OC31)C42

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: Lochnericine is an Aspidosperma alkaloid with molecular formula C21H24N2O3 found in the roots of Madagascar periwinkle (Catharanthus roseus, formerly known as Vinca rosea). It has a role as a plant metabolite. It is a monoterpenoid indole alkaloid, an organic heterohexacyclic compound, a methyl ester, an epoxide and an Aspidosperma alkaloid. It is a conjugate base of a lochnericine(1+).
Molecule SMILES: CCC12CC(C(=O)OC)=C3Nc4ccccc4C34CCN(CC3OC31)C42

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: Lochnericine is a natural product found in Tabernaemontana citrifolia, Tabernaemontana alternifolia, and other organisms with data available.
Molecule SMILES: CC=CCC=CCC(=O)NCC(=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: 3,6-octadienoylglycine is a N-acyl-amino acid.
Molecule SMILES: CC1=CCC2(C)CC=C(C(C)(C)O)C2CCC(C)=CCC1

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-[(3aS,5Z,9Z,12aR)-3a,6,10-trimethyl-4,7,8,11,12,12a-hexahydro-3H-cyclopenta[11]annulen-1-yl]propan-2-ol is a natural product found in Eunicea calyculata, Eunicea, and Eunicea laciniata with data available.
Molecule SMILES: CCCC(=O)Nc1ccc2c(c1)OCC(C)N(CCC)CC(C)C(OC)CN(C)C2=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: N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide is a lactam and an azamacrocycle.
Molecule SMILES: CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(OC6OC(CO)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(CO)C(O)C(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7NC(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 91845711 is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: CC1OC(OCC2OC(Oc3c(-c4ccccc4)oc4cc(O)cc(O)c4c3=O)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: Describe this molecule: <molecule_2d> .

assistant: 5,7-Dihydroxy-2-phenyl-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one is a natural product found in Datisca cannabina with data available.
Molecule SMILES: CCC=CCC=CCC=CCC=CCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](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: Please give me some details about this molecule <molecule_2d> .

assistant: PC(o-20:0/20:4(8Z,11Z,14Z,17Z)) is a metabolite found in or produced by Saccharomyces cerevisiae.
Molecule SMILES: CC(C)=CCc1ccc(O)c2c1C(c1cc(C)cc3c1OC(C(C)(C)O)CO3)NC2=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: Diaporisoindole A is a natural product found in Diaporthe with data available.
Molecule SMILES: CC(C=CC=C(C)C=CC(=O)C1(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC12OC(CC1(C)C)CC2(C)O

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

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: Capsanthin 3,6-epoxide is a xanthophyll.
Molecule SMILES: CC(NC(=O)CC1C=CC(NC(=O)Nc2ccc3c(c2)OCO3)C(CO)O1)c1ccccc1

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-[(2S,3S,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide is a member of benzodioxoles.
Molecule SMILES: CC1CC(C)CN(C(=O)COC(=O)c2cc3ccccc3cc2O)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: 3-hydroxy-2-naphthalenecarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester is a naphthoic acid.
Molecule SMILES: CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cccc(C(=O)N(C)C)c5)c4)n2)C(CCO)N(S(=O)C(C)(C)C)C3)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-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide is a member of biphenyls.
Molecule SMILES: CCOC(=O)CCc1ccco1

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: Ethyl 2-furanpropionate is a fatty acid ester.
Molecule SMILES: COc1cc(C2Oc3ccc(C=CC(=O)NCCc4ccc(O)cc4)cc3OC2CO)ccc1O

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-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide is a natural product found in Lycium chinense with data available.
Molecule SMILES: CCC(C)C(NC(=O)Cc1c[nH]c2ccccc12)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: N-(3-Indolylacetyl)-L-isoleucine is a natural product found in Solanum lycopersicum with data available.
Molecule SMILES: COc1cc(CCC(CC(CCc2cc(OC)c(O)c(OC)c2)OC(C)=O)OC(C)=O)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: 1-(3,5-Dimethoxy-4-hydroxyphenyl)-7-(3-methoxy-4-hydroxyphenyl)-3,5-diacetoxyheptane is a natural product found in Zingiber officinale with data available.
Molecule SMILES: C=C(C)C1CCC2=COC=CC3=C2C1OC3=O

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

user: Describe this molecule: <molecule_2d> .

assistant: Senoxepin is a natural product found in Senecio with data available.
Molecule SMILES: Cc1cc(C(=O)O)c2c(=O)c3c(O)cc(O)cc3oc2c1

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: 6,8-Dihydroxy-3-methyl-9-oxo-9h-xanthene-1-carboxylic acid is a natural product found in Penicillium oxalicum with data available.
Molecule SMILES: CC(=O)NC(CSCCC(=O)C(=O)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 brief overview of this molecule <molecule_2d> .

assistant: N-Acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine is a N-acyl-L-amino acid.
Molecule SMILES: O=[Se]([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: Hydrogenselenite is a selenium oxoanion. It is a conjugate base of a selenous acid. It is a conjugate acid of a selenite(2-).
Molecule SMILES: CCCCCCCCCCCCCCCC[Si](Cl)(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: Hexadecyltrichlorosilane is a colorless to yellow liquid with a pungent odor. Material will burn though it may require some effort to ignite. It is decomposed by moisture or water to hydrochloric acid with evolution of heat. It is corrosive to metals and tissue.
Molecule SMILES: COC(=O)C(O)Cc1cccc(C(=O)OCC2C(Cc3ccc(O)c(OC)c3)COC2c2ccc(O)c(OC)c2)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> The above is a compound. Could you please tell me something about it?

assistant: [(2R,3S,4S)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl 3-[(2R)-2-hydroxy-3-methoxy-3-oxopropyl]benzoate is a natural product found in Hyoscyamus niger with data available.
Molecule SMILES: CC1CCCCOC(CN(C)Cc2ccncc2)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide is a lactam and an azamacrocycle.
Molecule SMILES: CC1=CCCC(C)(O)C2CC(CCC(C)(O)C(O)CC1)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Dihydrosinuflexolide is a natural product found in Sinularia flexibilis with data available.
Molecule SMILES: CC1=C(C)C1(C)c1ccccc1

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: (1,2,3-trimethyl-2-cyclopropen-1-yl)benzene is a member of the class of benzenes that is benzene substituted by a 1,2,3-trimethyl-2-cyclopropen-1-yl group. It has a role as a metabolite. It is a member of cyclopropanes and a member of benzenes.
Molecule SMILES: CCCCCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCC(=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: (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoyl-CoA is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoic acid. It is an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It is functionally related to a (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoic acid. It is a conjugate acid of a (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoyl-CoA(4-).
Molecule SMILES: CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

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: 2-ethylhexyl-2-cyano-3,3-diphenylacrylate is a yellow viscous liquid. Insoluble in water. (NTP, 1992)
Molecule SMILES: CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

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: Octocrylene is a compound often used as an additive in sun screen, and is thought to have skin moisturizing effects because of its emollient properties. What makes this chemical such a popular additive to sun block, is its ability to neutralize UV radiation dissipated by sunlight, and to minimize skin damage from prolonged sun exposure. Octocrylene is also often combined with avobenzone, another common sunscreen ingredient often appearing on ingredient labels. Because of its effectiveness, the chemical has been approved across the globe for use in cosmetics and skin care products, but the concentrations of this ingredient are usually limited to no more than 10 or 12 percent. However, the use of this chemical doesn’t just stop with sunscreen for face and arms, but can extend to a variety of other products, like hair spray, tannin oil, BB cream, conditioner, and CC cream, among others. Octocrylene may cause contact and photocontact allergy.
Molecule SMILES: COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4OC)C(O)C(C(=O)NC(C)C(=O)NC(C)C(=O)N2C)N(C)C3=O)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: 28-Hydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone is a natural product found in Rubia cordifolia with data available.
Molecule SMILES: NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)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: Capivasertib has been investigated for the treatment of Metastatic Breast Cancer.