IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: COC1CN(C)C(=O)c2cc(NC(C)=O)ccc2OCC(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: Could you provide a description of this molecule <molecule_2d> ?

assistant: N-[(4S,7R,8S)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide is an azamacrocycle and a lactam.
Molecule SMILES: CC1OC(C=C=CBr)CC2OC3(CCC(O3)C1Cl)CC2Br

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: Obtusallene VI is a natural product found in Laurencia obtusa and Laurencia dendroidea with data available.
Molecule SMILES: O=C1CC23CCCN2CCc2cc4c(cc2C3=C1O)OCO4

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: (6S)-3-Hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraen-4-one is a natural product found in Cephalotaxus hainanensis, Cephalotaxus harringtonia, and other organisms with data available.
Molecule SMILES: C=CCc1ccc(Oc2ccc(C=O)cc2O)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: Isomagnaldehyde is a natural product found in Streblus asper with data available.
Molecule SMILES: OCC1OC(OCC2OC(OCC3OC(O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3O)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: (2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-6-[[(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: O=C1OC(COC2OC(CO)C(O)C(O)C2O)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: D-Erythroascorbic acid 1'-a-D-glucoside is a glycoside.
Molecule SMILES: COc1ccc(CC(C(N)=O)N(C)C(=O)C(C)N(C)C(=O)C(C)NC(=O)C(Cc2ccccc2)N(C)C(=O)C(C)CC(C)CCCCC(C)=O)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: Unk-D-N(Me)Phe-Ala-N(Me)Ala-D-N(Me)Tyr(Me)-NH2 is a natural product found in Lyngbya majuscula with data available.
Molecule SMILES: CC=C(C)C(=O)OC1CC(O)C2(CO2)C2(COC(C)=O)C(OC(C)=O)CC(C)C(C)(C3CC4CCOC4O3)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 brief overview of this molecule <molecule_2d> .

assistant: Ajugorientin is a natural product found in Ajuga orientalis and Ajuga reptans with data available.
Molecule SMILES: CC1CCCCOC(CN(C)S(=O)(=O)c2ccc(F)cc2)C(C)CN(C(C)CN(C)C)C(=O)c2cc(NC(=O)Nc3ccccc3)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 description of this molecule <molecule_2d> .

assistant: 1-[(3S,9R,10R)-12-[(2S)-1-(dimethylamino)propan-2-yl]-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea is a lactam and an azamacrocycle.
Molecule SMILES: C=C1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)C6(C)C5CCC4(C)C3C2CO)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: Please give me some details about this molecule <molecule_2d> .

assistant: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-2-[(1S,2S,3'S,4S,4'S,6S,7R,8R,9S,12S,13R,14R,16R)-3',16-dihydroxy-7-(hydroxymethyl)-9,13-dimethyl-5'-methylidene-4'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol is a natural product found in Beaucarnea recurvata with data available.
Molecule SMILES: CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC5OC56CCCC(=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: <molecule_2d> What do you know about the molecule?

assistant: (1S,2R,7S,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-12,15-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one is a natural product found in Physalis angulata with data available.
Molecule SMILES: CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(C2OC(CO)C(O)C(O)C2O)CC1(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: (3S, 3'R)-adonixanthin-beta-D-glucoside is a natural product found in Agrobacterium aurantiacum with data available.
Molecule SMILES: COc1ccc(C2CC(=O)c3c(O)c(C)c(OC4OC(COC(=O)c5cc(O)c(O)c(O)c5)C(OC(=O)c5cc(O)c(O)c(O)c5)C(O)C4O)c(C)c3O2)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: (2S)-2-(4-Methoxyphenyl)-5-hydroxy-6,8-dimethyl-7-[4-O,6-O-bis(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyloxy]-2,3-dihydro-4H-1-benzopyran-4-one is a natural product found in Miconia myriantha with data available.
Molecule SMILES: COc1ccc(-c2cc(=O)c3c(O)cc(O)c(C4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)c3o2)cc1O

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-[(2S,3R,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one is a natural product found in Silene conoidea with data available.
Molecule SMILES: COC12c3c(C)cc(O)c4c3C3=C(OC(C)(O)CC3OC4=O)C1C13COC(=O)c4c(O)cc(C)c(c41)C(=O)C2C3OC(C)=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: Verruculosin A is a natural product found in Talaromyces verruculosus with data available.
Molecule SMILES: CC(=O)OCC1OC(Oc2ccccc2COC(=O)c2ccccc2)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: [2-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl benzoate is a natural product found in Curcuma aromatica and Curcuma wenyujin with data available.
Molecule SMILES: C=C1C=CC=C1C(=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: 5-Methylidenecyclopenta-1,3-diene-1-carboxylic acid is a natural product found in Penicillium, Penicillium restrictum, and Penicillium striatisporum with data available.
Molecule SMILES: CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(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 description of this molecule <molecule_2d> .

assistant: (3R,4R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol is a natural product found in Planchonia careya with data available.
Molecule SMILES: COc1c(O)c(CC(C)=O)cc2cccc(O)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: Beijinchrome B is a natural product found in Nocardia beijingensis with data available.
Molecule SMILES: Cn1nc(-c2ccccc2)cc1CO

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

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

assistant: (1-Methyl-3-phenyl-1H-pyrazol-5-yl)methanol is a member of pyrazoles and a ring assembly.
Molecule SMILES: CN(C)CC(=O)Nc1ccc2c(c1)C1CC(CC(=O)NCc3cc(F)ccc3F)OC(CO)C1O2

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-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide is an amino acid amide.
Molecule SMILES: CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)CC(c1ccc(O)cc1O)O2

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: Kushenol E is a natural product found in Flemingia prostrata, Maclura cochinchinensis, and other organisms with data available.
Molecule SMILES: C=CC(C)(O)CCC1C(=C)CCC2C(C)(C)C(Br)CCC12C

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: (3S)-5-[(1R,4aS,6R,8aS)-6-bromo-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol is a natural product found in Aplysia dactylomela with data available.
Molecule SMILES: CCC=CCCC=CC=CCCCCCCCC(=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: (9Z,11E,15Z)-octadeca-9,11,15-trienoic acid is a 9,11,15-octadecatrienoic acid in which the configuration of the double bonds at positions 9 and 15 is Z, while that of the double bond at position 11 is E.
Molecule SMILES: COc1cc(CC=C(C)C)c(O)c2c(=O)c3c(CC=C(C)C)c(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)cc(O)c3oc12

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: 7-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,5-dihydroxy-4-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one is a natural product found in Umbilicaria proboscidea with data available.
Molecule SMILES: Cc1c(Cl)c(O)cc(O)c1C(=O)OC1CC2(C)C3CC(C)(C)CC3C=C(CO)C12O

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'-chloromelleolide F is a natural product found in Armillaria with data available.
Molecule SMILES: N=C(N)N1CCCC(NC(=O)C2CC3CCC(O)CC3N2C(=O)C(Cc2ccc(O)cc2)NC(=O)C(O)Cc2ccc(OS(=O)(=O)O)cc2)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: [4-[(2R)-3-[[(2R)-1-[(2S,3aS,6R,7aS)-2-[[(2S,3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]carbamoyl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-hydroxy-3-oxopropyl]phenyl] hydrogen sulfate is a natural product found in Microcystis viridis with data available.
Molecule SMILES: CC(C=CC(=O)NC(C(=O)OC(C)C(C)C(=O)O)C(C)c1ccccc1)=CCO

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: 3-[2-[(6-Hydroxy-4-methylhexa-2,4-dienoyl)amino]-3-phenylbutanoyl]oxy-2-methylbutanoic acid is a natural product found in Streptomyces caniferus with data available.
Molecule SMILES: Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])OP(=O)([O-])OC2OC(C(O)CO)C(O)C(O)C2O)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: ADP-L-glycero-D-manno-heptose(2-) is dianion of ADP-L-glycero-D-manno-heptose arising from deprotonation of both free OH groups of the diphosphate. It is a conjugate base of an ADP-L-glycero-D-manno-heptose.
Molecule SMILES: COc1c(-c2ccc3cc(C)cc(OC)c3c2O)ccc2c1C(C)NC(C)C2

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

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

assistant: 8-O-Methyl-1-epi-dioncophylline B is a natural product found in Triphyophyllum peltatum with data available.
Molecule SMILES: CC(C)=CCCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3

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: 21-Hydroxylanosterol is a natural product found in Gloeophyllum odoratum with data available.
Molecule SMILES: COc1c(O)cc2c(c1O)C1OC(CO)C(O)C(OC(=O)c3cc(O)c(O)c(O)c3)C1OC2=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: [(2R,3S,4S,4aS,10bS)-3,8,10-trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate is a natural product found in Rodgersia podophylla with data available.
Molecule SMILES: CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(OC)(C5C6OC(C)=O)C(O)(C(O)C23)C14

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: 4-Methyl-8,16beta-dimethoxy-20-ethylaconitane-1alpha,6alpha,7,14alpha-tetrol 14-acetate is a natural product found in Consolida ajacis, Consolida orientalis, and Consolida pubescens with data available.
Molecule SMILES: NCC(O)c1ccc(OS(=O)(=O)O)c(O)c1

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

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

assistant: Norepinephrine sulfate is a catecholamine.
Molecule SMILES: C=C(C)C(CCC(C)(C)O)Cc1c(O)cc(OC)c(C(=O)C=Cc2ccc(O)cc2O)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: (E)-1-[2,4-dihydroxy-3-[(2R)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-6-methoxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one is a natural product found in Sophora flavescens with data available.
Molecule SMILES: CC(C)CCCC(C)C1CCC2C3=CC(=O)C4CC(O)CCC4(C)C3CCC21C

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: 5alphaCholest-7-ene-3betaol-6-one is a natural product found in Peniocereus viperinus with data available.
Molecule SMILES: CC1CCC2(C)C(=CCC2(C)CO)C12CC(c1ccoc1)OC2=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: (3R,3aS,5'R,6R,7R)-5'-(furan-3-yl)-3-(hydroxymethyl)-3,3a,6-trimethylspiro[2,4,5,6-tetrahydroindene-7,3'-oxolane]-2'-one is a natural product found in Pteronia incana with data available.
Molecule SMILES: COc1ccc(C(=O)C2C(=O)OC(C)(CCC=C(C)Cc3cc(C)co3)C2C)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: Please give me some details about this molecule <molecule_2d> .

assistant: Fukanedone E is a natural product found in Ferula fukanensis with data available.
Molecule SMILES: N#CC(CC(=O)O)C(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: Please give me some details about this molecule <molecule_2d> .

assistant: 3-Cyanoglutamic acid is a natural product found in Streptomyces with data available.
Molecule SMILES: N#Cc1ccccc1OCC(O)CNCCNC(=O)Cc1ccc(O)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: Epanolol is a member of acetamides.
Molecule SMILES: N#Cc1ccccc1OCC(O)CNCCNC(=O)Cc1ccc(O)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: Epanolol is an beta blocker.
Molecule SMILES: CC=CC1C=CC2CC(CO)CCC2C1(C)C(O)=C1C(=O)NC(C)(C(C)O)C1=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: 6'-epi-paecilosetin B is a natural product found in Cordyceps farinosa with data available.
Molecule SMILES: COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C(=O)O)cnn2C)n1

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: Pyrazosulfuron is a member of pyrazoles.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3NC(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is an amino sugar.
Molecule SMILES: C=CC(C)(C)c1[nH]c2cc(CC=C(C)C)ccc2c1C=C1NC(=O)C(C)(OC)NC1=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: Isovariecolorin I is a natural product found in Aspergillus cristatus with data available.
Molecule SMILES: [NH3+]CCCCC[NH3+]

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: Cadaverine(2+) is an alkane-alpha,omega-diammonium(2+) ion that is the doubly-charged ammonium ion, arising from protonation of both nitrogens of cadaverine. The major species at pH 7.3. It has a role as a plant metabolite. It is a conjugate acid of a cadaverine.
Molecule SMILES: CC1CCC2(C)CCC3(C)C(=CCC4C(C)(CC(=O)O)C(C(C)(C)C=O)CCC43C)C2C1C

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

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

assistant: 2,3-Seco-3-oxours-12-ene-2-oic acid is a natural product found in Gentiana lutea with data available.
Molecule SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O

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

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

assistant: Ibandronate, or BM 21.0955, is a third generation, nitrogen containing bisphosphonate similar to [zoledronic acid], [minodronic acid], and [risedronic acid]. It is used to prevent and treat postmenopausal osteoporosis. Ibandronate was first described in the literature in 1993 as a treatment for bone loss in dogs.  Ibandronate was granted FDA approval on 16 May 2003.
Molecule SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=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: Provide a brief overview of this molecule <molecule_2d> .

assistant: Ibandronic acid is a Bisphosphonate.
Molecule SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=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: Tell me something about this molecule: <molecule_2d>

assistant: Ibandronic Acid is a third-generation amino-bisphosphonate with anti-resorptive and anti-hypercalcemic activities. Ibandronic acid binds to and adsorbs onto the surface of hydroxyapatite crystals in the bone matrix, thereby preventing osteoclast resorption. This agent also inhibits farnesyl pyrophosphate synthase, an enzyme involved in the mevalonate pathway. Inhibition of this enzyme prevents the formation of isoprenoids, thereby leading to a reduction in the farnesylation and geranylgeranylation of signaling proteins of G protein-coupled signaling, and, eventually, inducing apoptosis of osteoclasts. By inhibiting osteoclast-mediated bone resorption, ibandronic acid increases bone mineral density, decreases bone remodeling and turnover, as well as reduces bone pain.
Molecule SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=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: <molecule_2d> What do you know about the molecule?

assistant: Ibandronate is a nitrogen-containing bisphosphonate in the same class as alendronate and risedronate. Ibandronate inhibits osteoclast-mediated bone resorption. All of the bisphosphonates prevent the breakdown of bone by bone cells called osteoclasts. In persons who are at high risk for osteoporosis, bisphosphonates not only result in increased amounts of bone and bone strength, they also reduce the risk of hip fractures and other bone fractures.
Molecule SMILES: C=C(C(=O)O)C1CC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)CO1

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: Rhopaloic acid C is a natural product found in Rhopaloeides with data available.
Molecule SMILES: O=C1OCCN1N=Cc1ccc([N+](=O)[O-])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: Furazolidone is a member of the class of oxazolidines that is 1,3-oxazolidin-2-one in which the hydrogen attached to the nitrogen is replaced by an N-{[(5-nitro-2-furyl)methylene]amino} group. It has antibacterial and antiprotozoal properties, and is used in the treatment of giardiasis and cholera. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor, an antitrichomonal drug, an antiinfective agent and an antibacterial drug. It is a member of oxazolidines and a nitrofuran antibiotic.