IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OCC(O)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-[beta-D-Xylp-(1->2)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc is a branched amino hexasaccharide compound consisting of the linear trisaccharide beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine in which the mannosyl residue has a beta-D-xylosyl residue attached at position 2 as well as two alpha-D-mannosyl residues at positions 3 and 6. It has a role as a carbohydrate allergen. It is an amino hexasaccharide, a glucosamine oligosaccharide and a high-mannose oligosaccharide.
Molecule SMILES: FC(F)(F)c1cccc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)c1

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: 5-[4-phenyl-5-(trifluoromethyl)-2-thiophenyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is an oxadiazole and a ring assembly.
Molecule SMILES: CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(=O)CN4CCN(CC)CC4)ccc3OCC)nc12

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: Acetildenafil is an aromatic ketone.
Molecule SMILES: C=C(C)C1c2cc(C(=O)OC)c(o2)CC(C(C)C)C2OC2C2=CC1OC2=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: methyl (2S,4R,5R,11R,12R)-14-oxo-5-propan-2-yl-11-prop-1-en-2-yl-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylate is a natural product found in Pseudopterogorgia with data available.
Molecule SMILES: CC1=C(C=O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)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: 4-(beta-D-Glucopyranosyloxy)-2,6,6-trimethyl-1-cyclohexene-1-carboxaldehyde is a natural product found in Crocus sativus with data available.
Molecule SMILES: C=C1CC2OC3C4C(CCC(C)(O)C24)C(C)COC3(C)C(OC(=O)CCCCCCC)CC1O

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: Octanoic acid [(2abeta,5aalpha,9aalpha,9bbeta,12R)-3beta,12-dihydroxy-3,6beta,9-trimethyl-13-methylene-2beta,9beta-pentanodecahydro-2H-furo[2,3,4-ef][3]benzoxepin 10alpha-yl] ester is a natural product found in Briareum asbestinum with data available.
Molecule SMILES: CC(=O)OC1CCC2(C)C3CC(=O)C(=C(C)C=CC=C(C)C(CC=C(C)C)OC4OCC(O)C(O)C4O)C3(C)CCC2C1(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: [(3E,3aS,5aR,7R,9aR,9bS)-3-[(3E,5E,7R)-6,10-dimethyl-7-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyundeca-3,5,9-trien-2-ylidene]-3a,6,6,9a-tetramethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl] acetate is a natural product found in Rhabdastrella globostellata with data available.
Molecule SMILES: CCC1CN2CCC3(C(=O)Nc4cccc(O)c43)C2CC1C(=COC)C(=O)OC

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

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

assistant: methyl (Z)-2-[(3R,6'S,7'S,8'aR)-6'-ethyl-4-hydroxy-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate is a natural product found in Mitragyna speciosa with data available.
Molecule SMILES: COC1CN(C)C(=O)c2cc(NS(=O)(=O)CC(F)(F)F)ccc2OCC(C)N(CC2CCCCC2)CC1C

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-[(4R,7S,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide is a lactam and an azamacrocycle.
Molecule SMILES: COc1cc(N)c(Cl)cc1C(=O)NC1CCNCC1OC

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: Norcisapride is a member of benzamides.
Molecule SMILES: CSc1[nH]c2cc(Br)c(Br)c(Br)c2c1-n1c(Br)c(SC)c2c(Br)cc(Br)cc21

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: 2,4,4',5',6,6'-Hexabromo-2',3-bis(methylthio)-1,3'-bi[1H-indole] is a natural product found in Laurencia brongniartii with data available.
Molecule SMILES: CC(=O)NC1C(OC2C(O)OC(C(O)CO)C(O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC(CO)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: Beta-D-Gal-(1->4)-alpha-D-Glc-(1->3)-[alpha-D-GlcNAc-(1->2)]-alpha-L-Hep is an amino tetrasaccharide and epitope consisting of L-glycero-alpha-D-manno-heptopyranose having a lactosyl moiety attached at the 3-position via an alpha-linkage and an alpha-N-acetylglucosaminyl residue at the 2-position. It has a role as an epitope. It is an amino tetrasaccharide and a glucosamine oligosaccharide.
Molecule SMILES: CC1CN(C(C)CO)C(=O)c2cc(C#Cc3ccccc3F)cnc2OC1CN(C)C(=O)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: N-[[(2R,3S)-8-[2-(2-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylcyclohexanecarboxamide is an organofluorine compound.
Molecule SMILES: C=CCCCCCCCCC=CC1=CC(C)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 description of this molecule <molecule_2d> .

assistant: 3-[(E)-1,11-Dodecadienyl]-5beta-methylfuran-2(5H)-one is a natural product found in Litsea japonica with data available.
Molecule SMILES: CC(=O)NC1C(OC2C(O)C(COC3OC(CO)C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(O)C3NC(C)=O)OC(O)C2NC(C)=O)OC(CO)C(OC2OC(CO)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: Describe this molecule: <molecule_2d> .

assistant: N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is an amino sugar.
Molecule SMILES: CC(C)=CCC(=O)C1(O)C(O)=C(C(=O)CC(C)C)C(=O)C1CC=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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: Isohumulone is a natural product found in Humulus with data available.
Molecule SMILES: C=C(CCC(C)C1CCC2C3CCC4C(CO)CCC4(C)C3CCC12C)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: Describe this molecule: <molecule_2d> .

assistant: [(1S,3aR,3bS,5aR,6R,8aS,8bS,10aS)-3a,5a-dimethyl-6-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,3b,4,5,6,7,8,8a,8b,9,10,10a-tetradecahydroindeno[5,4-e]inden-1-yl]methanol is a natural product found in Axinella aruensis with data available.
Molecule SMILES: CCCC#CC#CC=CCO

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: Dec-2-en-4,6-diyn-1-ol is a natural product found in Plagiocheilus bogotensis with data available.
Molecule SMILES: C=C(C(=O)OC)C1CCC2(C)CCC(O)C(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: Provide a description of this molecule <molecule_2d> .

assistant: 2-[(4aS,8abeta)-4aalpha,8-Dimethyl-7beta,8beta-dihydroxydecalin-2alpha-yl]acrylic acid methyl ester is a natural product found in Dittrichia graveolens with data available.
Molecule SMILES: Cc1cc(C(=O)COC(=O)c2ccc(O)cc2)c(C)n1-c1ccccc1F

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: 4-hydroxybenzoic acid [2-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester is a member of pyrroles.
Molecule SMILES: CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

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: 3,14-Dihydroxycard-20(22)-enolide is a natural product found in Calotropis procera, Cerbera manghas, and other organisms with data available.
Molecule SMILES: COc1ccc2c3c([nH]c2c1)C(CO)N(S(C)(=O)=O)CC31CCN(C(=O)c2ccncc2)CC1

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: [(1S)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-pyridin-4-ylmethanone is a harmala alkaloid.
Molecule SMILES: CC=C1NC(=O)C(=Cc2[nH]c(-c3ccc[nH]3)cc2OC)C1=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: Hybrubin A is a natural product found in Streptomyces lividans and Streptomyces anthocyanicus with data available.
Molecule SMILES: CCCCCCCCCCCCCC(O)CC(=O)OC(CC(=O)[O-])C[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: Describe this molecule: <molecule_2d> .

assistant: 3-hydroxyhexadecanoylcarnitine is an O-acylcarnitine having 3-hydroxyhexadecanoyl as the acyl substituent. It has a role as a metabolite. It is an O-acylcarnitine, an ammonium betaine and a carboxylic ester. It is functionally related to a carnitine.
Molecule SMILES: CCCCCCCCCCCCCC(O)CC(=O)OC(CC(=O)[O-])C[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: 3-Hydroxyhexadecanoylcarnitine is a natural product found in Trypanosoma brucei with data available.
Molecule SMILES: CC1(C)C2CCC(CO)C1C2

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: cis-Myrtanol is a natural product found in Chamaecyparis formosensis, Diplotaenia cachrydifolia, and other organisms with data available.
Molecule SMILES: Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1

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: Tucatinib is a kinase inhibitor drug used with [trastuzumab] and [capecitabine] in the treatment of unresectable or metastatic HER-2 positive breast cancer. It was developed by Seattle Genetics and approved by the FDA on April 17, 2020. Tucatinib is a promising new treatment for patients with metastatic breast cancer who have not responded adequately to other chemotherapy regimens.
Molecule SMILES: Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1

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: Tucatinib is a Kinase Inhibitor. The mechanism of action of tucatinib is as a Tyrosine Kinase Inhibitor, and Cytochrome P450 3A Inhibitor, and P-Glycoprotein Inhibitor, and Cytochrome P450 2C8 Inhibitor.
Molecule SMILES: Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1

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: Tucatinib is an orally bioavailable inhibitor of the human epidermal growth factor receptor tyrosine kinase ErbB-2 (also called HER2) with potential antineoplastic activity. Tucatinib selectively binds to and inhibits the phosphorylation of ErbB-2, which may prevent the activation of ErbB-2 signal transduction pathways, resulting in growth inhibition and death of ErbB-2-expressing tumor cells. ErbB-2 is overexpressed in a variety of cancers and plays an important role in cellular proliferation and differentiation.
Molecule SMILES: COC1C(O)CCC(C)=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)CC1O

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

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (1S,4S,5S,6R,9E,11S,14S,15R,16S)-4,6-dihydroxy-5-methoxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,18-dione is a natural product found in Ericameria laricifolia and Aspergillus flavipes with data available.
Molecule SMILES: C=C1C=CC(OC(=O)CCC)C2(C)C3OC3C(OC(C)=O)C(C)C2C(OC(C)=O)C2(O)C(C)C(=O)OC2C1Cl

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: brianthein Y is a natural product found in Briareum asbestinum with data available.
Molecule SMILES: CC(C1C(O)CC2(C)C3CCC4C(=CCC(NC(=O)c5ccccc5)C4(C)C)CC3=CCC12C)N(C)C

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

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: N-[15-[1-(dimethylamino)ethyl]-14-hydroxy-7,7,12,16-tetramethyl-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3-dienyl]benzamide is a natural product found in Buxus sempervirens with data available.
Molecule SMILES: [O-][I+2]([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 give me a brief overview of this molecule <molecule_2d> ?

assistant: (SPY-5)-pentaoxoiodate(3-) is a pentaoxoiodate(3-) and a trivalent inorganic anion.
Molecule SMILES: O=C(O)c1ccc(Br)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: 4-bromobenzoic acid appears as colorless to red crystals. (NTP, 1992)
Molecule SMILES: O=C(O)c1ccc(Br)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: 4-bromobenzoic acid is a bromobenzoic acid carrying a single bromo subsituent at the 4-position.
Molecule SMILES: O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc([O-])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: (S)-naringenin(1-) is a flavonoid oxoanion that is the conjugate base of (S)-naringenin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. It is a conjugate base of a (S)-naringenin.
Molecule SMILES: CC1OC(OC2CCC3(CO)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C(O)C(O)C1O

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

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

assistant: 3-[14-hydroxy-10-(hydroxymethyl)-13-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one is a natural product found in Antiaris, Mallotus japonicus, and Lotus japonicus with data available.
Molecule SMILES: O=C1CCC(OC2OC(CO)C(O)C(O)C2O)c2c(O)ccc(O)c21

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: Juglanoside D is a natural product found in Juglans mandshurica with data available.
Molecule SMILES: C#CC=CCC1OC(C(Br)CC)CC=CCC1Cl

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,8S)-2-[(E)-2-Pentene-4-ynyl]-3-chloro-8-[(1S)-1-bromopropyl]-3,4,7,8-tetrahydro-2H-oxocin is a natural product found in Aplysia dactylomela with data available.
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(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OC(CO)C(OC%10OC(CO)C(O)C(O)C%10O)C(OC%10OC(C)C(O)C(O)C%10O)C9NC(C)=O)C8O)C(OC8OC(C)C(O)C(O)C8O)C7NC(C)=O)C6O)C(O)C5NC(C)=O)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)C(O)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OC(CO)C(OC%10OC(CO)C(O)C(O)C%10O)C(OC%10OC(C)C(O)C(O)C%10O)C9NC(C)=O)C8O)C(OC8OC(C)C(O)C(O)C8O)C7NC(C)=O)C6O)C(OC6OC(C)C(O)C(O)C6O)C5NC(C)=O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(OC9OC(COC%10(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O%10)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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: CID 91851418 is a polysaccharide.
Molecule SMILES: CC(=O)NC1C(C)OC(OP(=O)([O-])OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(NC(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: N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2-) is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate; major species at pH 7.3. It is a conjugate base of a N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate.
Molecule SMILES: O=C(Cc1ccncc1)NCCC1CCC(NC(=O)Nc2cccc(F)c2)C(CO)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: N-[2-[(2S,5S,6S)-5-[[(3-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyridin-4-ylacetamide is a C-glycosyl compound.
Molecule SMILES: COc1cc(C(O)C(COC2OC(CO)C(O)C(O)C2O)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)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: (2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Osmanthus heterophyllus with data available.
Molecule SMILES: CC1CN(C(C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2COC1CN(C)C(=O)CCC(F)(F)F

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: LSM-13947 is an indolyl carboxylic acid.
Molecule SMILES: Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1

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

user: Describe this molecule: <molecule_2d> .

assistant: LY-2157299 is a pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma. It has a role as a TGFbeta receptor antagonist and an antineoplastic agent. It is a member of quinolines, a pyrrolopyrazole, a member of methylpyridines, an aromatic amide and a monocarboxylic acid amide.
Molecule SMILES: Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1

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: Galunisertib has been used in trials studying the basic science and treatment of Glioma, Neoplasms, Solid Tumor, GLIOBLASTOMA, and Prostate Cancer, among others.
Molecule SMILES: Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1

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: Galunisertib is an orally available, small molecule antagonist of the tyrosine kinase transforming growth factor-beta (TGF-b) receptor type 1 (TGFBR1), with potential antineoplastic activity. Upon administration, galunisertib specifically targets and binds to the kinase domain of TGFBR1, thereby preventing the activation of TGF-b-mediated signaling pathways. This may inhibit the proliferation of TGF-b-overexpressing tumor cells. Dysregulation of the TGF-b signaling pathway is seen in a number of cancers and is associated with increased cancer cell proliferation, migration, invasion and tumor progression.
Molecule SMILES: CCCCCCCCCCCCC(O)C(O)CCCCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1

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: (2S)-4-[2-hydroxy-9-[(2S,5R)-5-[(1R,6R,7R)-1,6,7-trihydroxynonadecyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one is a natural product found in Annona squamosa with data available.
Molecule SMILES: NC(=O)CNC(=O)C(CS)NC(=O)CCC(N)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: G-L-Glutamyl-L-cysteinylglycine amide is a natural product found in Marichromatium gracile with data available.