IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: O=C(CC1C=CC(NC(=O)CCN2CCCCC2)C(CO)O1)NCc1ccc(Cl)c(Cl)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: N-[(2S,3S,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-(1-piperidinyl)propanamide is an organonitrogen compound and an organooxygen compound. It is functionally related to a beta-amino acid.
Molecule SMILES: COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)ccc1O

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

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

assistant: 3-[(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy]-4',5,7-trihydroxy-3'-methoxyflavone is a natural product found in Cistus ladanifer with data available.
Molecule SMILES: COc1cc(C(=O)OC2(CO)COC(OC3C(Oc4cc(OC)c(OC)c(OC)c4)OC(CO)C(O)C3O)C2O)ccc1O

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

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

assistant: Khaephuoside B is a natural product found in Markhamia stipulata with data available.
Molecule SMILES: CC(=CC=O)CCC1(C)C(C)CCC2(C)C(C(=O)O)=CCCC21

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: (4aS,5R,6S,8aS)-5,6,8a-trimethyl-5-[(Z)-3-methyl-5-oxopent-3-enyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid is a natural product found in Haplopappus arbutoides and Haplopappus glutinosus with data available.
Molecule SMILES: CC1=CC(=O)C2(C(C)C)CC12

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: (-)-Umbellulone is a natural product found in Tanacetum vulgare, Pimenta racemosa, and Umbellularia californica with data available.
Molecule SMILES: CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC(O)C3(O)C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC32C)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: withangulatin B is a natural product found in Physalis angulata with data available.
Molecule SMILES: CCCCC=CCC=CCCCCCCCC(=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: (9Z,12Z)-heptadecadienoyl-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 (9Z,12Z)-heptadecadienoic acid. It is a long-chain fatty acyl-CoA and an unsaturated fatty acyl-CoA. It is a conjugate acid of a (9Z,12Z)-heptadecadienoyl-CoA(4-).
Molecule SMILES: CC(C)C(O)CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3C(O)CC12C

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: 2,3,11,14-tetrahydroxy-10,13-dimethyl-17-(2,3,5-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one is a natural product found in Rhaponticum carthamoides with data available.
Molecule SMILES: COc1cc2oc(=O)ccc2c(OC)c1CC(=O)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: 5,7-Dimethoxy-6-(3-methyl-2-oxobutyl)chromen-2-one is a natural product found in Zanthoxylum asiaticum with data available.
Molecule SMILES: CC1=Cc2c([nH]c3ccccc23)C2CCNC(C)N12

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: 6,8-Dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),8,11,13,15-pentaene is a natural product found in Tabernaemontana elegans with data available.
Molecule SMILES: C=C(C)C1C=C(C(C)C)CCC(C)=CCCC(C)CC1=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: (2S,3E,7E,11S)-7,11-dimethyl-4-propan-2-yl-2-prop-1-en-2-ylcyclododeca-3,7-dien-1-one is a natural product found in Eunicea calyculata with data available.
Molecule SMILES: C=C1CCC2C(C3C1CC(OC(C)=O)C3(C)O)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 brief overview of this molecule <molecule_2d> .

assistant: [(1Ar,4aR,6R,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-6-yl] acetate is a natural product found in Rhytisma fulvum with data available.
Molecule SMILES: Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cncnc4)ccc3ncc21

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: NVP-BHS345 is a member of the class of imidazoquinolines that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a pyrimidin-5-yl group. It is a member of pyrimidines, a nitrile, an imidazoquinoline and a member of ureas.
Molecule SMILES: CC1=CC(=O)C2C(O)(CCC34OC23C(=O)c2cccc(O)c2C4=O)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: Angumycinone A is a natural product found in Streptomyces with data available.
Molecule SMILES: C=C(CCC(C)C1CCC2C3=C(C(=O)C(O)C21C)C1(C)CCC(O)C(C)C1CC3=O)C(C)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: methyl (2S,6R)-6-[(3R,4S,5S,10S,12R,13R,14R,17R)-3,12-dihydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoate is a natural product found in Taiwanofungus camphoratus and Antrodia cinnamomea with data available.
Molecule SMILES: CC(=O)NC1C(OCC2OC(O)C(NC(C)=O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C(O)C3O)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2R,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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: CCC(C)C1NC(=O)C(NC(=O)C(Cc2ccccc2)N(C)C)C(C(C)C)Oc2ccc(cc2)C=CNC1=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: (2S)-N-[(3S,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-phenylpropanamide is a natural product found in Discaria americana with data available.
Molecule SMILES: CCC(C)COC1OC(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: [(S)-2-Methylbutyl]beta-D-glucopyranoside is a natural product found in Camellia sinensis with data available.
Molecule SMILES: COc1cc(C=Cc2ccc(OC)c(OC)c2)oc(=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: 11-Methoxyyangonin is an aromatic ether and a member of 2-pyranones.
Molecule SMILES: COc1cc(C=Cc2ccc(OC)c(OC)c2)oc(=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: 11-Methoxyyangonin is a natural product found in Polygala sellowiana with data available.
Molecule SMILES: FC(F)C(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 description of this molecule <molecule_2d> .

assistant: Pentafluoroethane appears as a nonflammable gas. Heavier than air. May asphyxiate by the displacement of air in confined spaces. Exposure of the container to prolonged heat or fire can cause it to rupture violently and rocket.
Molecule SMILES: CS(=O)(=O)C(C#N)=Cc1cccn1S(=O)(=O)c1cccc2ccccc12

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: LSM-3632 is a sulfonic acid derivative and a member of naphthalenes.
Molecule SMILES: CC1CC(O)C2C(C)(C)CC3(C)CCC1C23O

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: 4beta-Hydroxyprobotryane is a natural product found in Botrytis cinerea with data available.
Molecule SMILES: COc1c2cc(c(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1

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: Myricanol 5-beta-sophoroside is a member of biphenyls.
Molecule SMILES: COC1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OCC(C)N(C(=O)C2CCCCC2)CC1C

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-[(5S,6S,9S)-8-[cyclohexyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide is an azamacrocycle and a lactam.
Molecule SMILES: CC1=CCC(C)(C)C=CC(=O)C(C)=CC(O)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: (5R)-2,6,9-humulatrien-5-ol-8-one is a natural product found in Zingiber zerumbet and Zingiber officinale with data available.
Molecule SMILES: CC(=O)C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(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 give me a brief overview of this molecule <molecule_2d> ?

assistant: Nitecapone is a hydroxycinnamic acid.
Molecule SMILES: CC1CCCC2(C)CC3OC(=O)C(C)(O)C3C=C12

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: (3R,3aS,5S,8aR,9aR)-3-hydroxy-3,5,8a-trimethyl-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one is a natural product found in Inula racemosa with data available.
Molecule SMILES: NCc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccccc5Oc5ccccc5)c4)c3c2)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: 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea is a member of the class of phenylureas obtained by formal condensation of the carboxy group of (3-{5-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-3-yl}phenyl)carbamic acid with the amino group of 2-phenoxyaniline. An inhibitor of tyrosine kinase. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is a pyrrolopyridine, an aromatic ether, a primary amino compound and a member of phenylureas.
Molecule SMILES: CC(=O)NC(CO)C(O)C(OC1OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3NC(C)=O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)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)C4O)C(O)C3NC(C)=O)C2O)C(O)C1NC(C)=O)C(O)CO

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: CID 91860233 is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: C=C1C(=O)OC2CC(C)=CCC=C(C)CCCC(C)=CCC12

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: (3aS,5E,10E,13E,15aS)-6,10,14-trimethyl-3-methylidene-3a,4,7,8,9,12,15,15a-octahydrocyclotetradeca[b]furan-2-one is a natural product found in Sinularia gibberosa with data available.
Molecule SMILES: C=C(C=O)C1CC(OC(=O)C=Cc2ccc(O)cc2)C(CO)=C1C=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: [(1R,4S)-3-formyl-2-(hydroxymethyl)-4-(3-oxoprop-1-en-2-yl)cyclopent-2-en-1-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate is a natural product found in Viburnum luzonicum with data available.
Molecule SMILES: CCC(C)(NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(C)(C)NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CO)CC(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: Harzianin HC VIII is a natural product found in Trichoderma harzianum with data available.
Molecule SMILES: CC=C(C)C(=O)NC(CCC(N)=O)C(=O)NC1C(=O)NC(CCC(=O)NCCO)C(=O)N2C(OC)CCC2C(=O)NC(Cc2ccccc2)C(=O)N(C)C(Cc2ccc(O)cc2)C(=O)NC(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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (2R)-N-[(3S,6S,7S,10R,13S,16S,19S,22R)-16-benzyl-3-[3-(2-hydroxyethylamino)-3-oxopropyl]-13-[(4-hydroxyphenyl)methyl]-22-methoxy-7,10,14-trimethyl-2,5,9,12,15,18-hexaoxo-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]-2-[[(E)-2-methylbut-2-enoyl]amino]pentanediamide is a natural product found in Streptomyces with data available.
Molecule SMILES: C=C1CCC2(C(=O)OC3OC(COC4OC(COC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(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: Could you provide a description of this molecule <molecule_2d> ?

assistant: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-6a,6b,9,9,12a-pentamethyl-2-methylidene-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate is a natural product found in Eleutherococcus senticosus with data available.
Molecule SMILES: CN(C)CCc1cc2c(cc1C(=O)c1oc(O)c3c4c(ccc13)OCO4)OCO2

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: Paprarine is a natural product found in Fumaria vaillantii with data available.
Molecule SMILES: CN1c2ccc(cc2)CC(O)N(C)c2ccc(cc2)CC1O

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: 2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI is a tertiary amino compound and a dialkylarylamine.
Molecule SMILES: CC1C(=O)OC2=C1C(O)C1(C)C(C)CCCC1C2

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: Eremofarfugin C is a natural product found in Ligularia kanaitzensis and Ligularia lamarum with data available.
Molecule SMILES: O=C(OC1COC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c1cc(O)c(O)c(O)c1

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

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

assistant: 1,4-di-O-galloyl-beta-d-xylose is a natural product found in Euphorbia franchetii with data available.
Molecule SMILES: CC=C(C)C(=O)OC(C=CC(O)C(C)O)C1C=CC(=O)O1

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: Phomopsolidone A is a natural product found in Phomopsis with data available.
Molecule SMILES: CC1(C)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Nephelioside V is a natural product found in Nephelium maingayi with data available.
Molecule SMILES: CCC(=O)NC1CCC(CC(=O)NCC2CCCCC2)OC1CO

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-[(2S,3S,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide is a C-glycosyl compound.
Molecule SMILES: NC(N)=NCCCC(N)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)NC(CO)C(=O)N1Cc2ccccc2CC1C(=O)N1C(C(=O)NC(CCCN=C(N)N)C(=O)O)CC2CCCCC21

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: Icatibant (Firazyr) is a synthetic peptidomimetic drug consisting of ten amino acids, and acts as an effective and specific antagonist of bradykinin B2 receptors. It has been approved in the EU for use in hereditary angioedema, and is under investigation for a number of other conditions in which bradykinin is thought to play a significant role. Icatibant currently has orphan drug status in the United States and FDA approved on August 25, 2011.
Molecule SMILES: NC(N)=NCCCC(N)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)NC(CO)C(=O)N1Cc2ccccc2CC1C(=O)N1C(C(=O)NC(CCCN=C(N)N)C(=O)O)CC2CCCCC21

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: Icatibant is a Bradykinin B2 Receptor Antagonist. The mechanism of action of icatibant is as a Bradykinin B2 Receptor Antagonist.
Molecule SMILES: NC(N)=NCCCC(N)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)NC(CO)C(=O)N1Cc2ccccc2CC1C(=O)N1C(C(=O)NC(CCCN=C(N)N)C(=O)O)CC2CCCCC21

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: Icatibant is an antagonist of the human bradykinin B2 receptor (B2R), that can be used for the treatment of hereditary angioedema (HAE). Upon administration, icatibant targets and binds to B2R, thereby preventing bradykinin from binding to the B2R. This may prevent bradykinin/B2R-mediated vasodilation, the resulting increase in vascular permeability, and the swelling, inflammation, and pain associated with HAE. This may also prevent or improve pulmonary edema not associated with HAE and improve the associated decrease in blood oxygen levels.
Molecule SMILES: CC(C)=CCCC1(C)C=Cc2c(C3CC(=O)c4c(cc(O)c(CC=C(C)C)c4O)O3)ccc(O)c2O1

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: Tanariflavanone B is a trihydroxyflavanone that consists of (2S)-2,3-dihydro-2'H,4H-2,5'-bichromen-4-one skeleton substituted by hydroxy groups at positions 5, 7 and 8', a methyl group at position 2', a prenyl group at position 6 and a 4-methylpent-3-enyl group at position 2'. Isolated from Macaranga tanarius, it exhibits alleopathic effect. It has a role as an allelochemical and a plant metabolite. It is a trihydroxyflavanone and a member of 4'-hydroxyflavanones.
Molecule SMILES: CC(C)=CCCC1(C)C=Cc2c(C3CC(=O)c4c(cc(O)c(CC=C(C)C)c4O)O3)ccc(O)c2O1

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: tanariflavanone B is a natural product found in Macaranga tanarius with data available.
Molecule SMILES: C=CC(C)(CCC=C(C)CCCCCCCCCCC)OC1OC(COC2OCC(O)(CO)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Linalool 6-O-beta-D-apiofuranosyl-beta-D-glucoside is a natural product found in Vitis vinifera with data available.
Molecule SMILES: C=C1NC(=O)CCC(C(=O)O)NC(=O)C(C)C(C=CC(C)=CC(C)C(Cc2ccccc2)OC)NC(=O)C(CCCN=C(N)N)NC(=O)CC(C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C)NC1=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: 3,7-Didesmethylmicrocystin LR is a natural product found in Microcystis aeruginosa with data available.
Molecule SMILES: O=C1CC(c2ccccc2)Oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (2S)-7-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one is a natural product found in Centaurea pseudoscabiosa with data available.
Molecule SMILES: N=C1N(O)C(COC(N)=O)C2N=C(N)NC23N1CCC3(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: Neosaxitoxin is under investigation in clinical trial NCT01786655 (Safety Study of Long-Acting Local Anesthetic).