IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(=O)NCCc1c2c(c3nccc4c3c1Nc1ccccc1-4)NC(=O)CS2

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: Shermilamine B is a natural product found in Cystodytes, Cystodytes dellechiajei, and other organisms with data available.
Molecule SMILES: O=c1ccn(C2OC(CO)C(O)C2F)c(=O)[nH]1

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'-fluoro-5-ethylarabinosyluracil (FAU) has been used in trials studying the treatment of Small Intestine Lymphoma, Stage IV Mantle Cell Lymphoma, Waldenström Macroglobulinemia, Splenic Marginal Zone Lymphoma, and Recurrent Mantle Cell Lymphoma, among others.
Molecule SMILES: O=c1ccn(C2OC(CO)C(O)C2F)c(=O)[nH]1

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'-F-ara-deoxyuridine is a deoxyuridine prodrug with potential antineoplastic activity. Upon cellular uptake, 2'-F-ara-deoxyuridine (FAU) is phosphorylated by thymidine kinase to FAU monophosphate and subsequently methylated in the 5'-position by thymidylate synthase (TS) to its activated form, 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl) 5-methyluracil monophosphate (FMAUMP). FMAUMP is incorporated into DNA leading to an inhibition of DNA synthesis and so cell growth. The catalytic activity of TS is critical to activation of FAU and subsequent incorporation into DNA. FAU may be beneficial in the case of tumors with high TS activity that are resistant to TS inhibitors.
Molecule SMILES: CC(C)CC1NC(=O)C2CC(O)CNN2C(=O)C(C(C)C)OC(=O)C(C(C)C)NC(=O)C2CC3(O)c4cc(-c5ccc6c(c5)C5(O)CC7C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)N8NCC(O)CC8C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)N7C5N6)ccc4NC3N2C(=O)C(C(C)O)NC1=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: Himastatin is a natural product found in Streptomyces hygroscopicus with data available.
Molecule SMILES: C=C1C2CCC3C(OC(C)=O)C2(CC(O)C2(O)C1C(O)C(O)C2(C)C)CC3(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: rhodomolin B is a natural product found in Rhododendron simsii, Rhododendron catawbiense, and other organisms with data available.
Molecule SMILES: CC=C(C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)C(C)=CC

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: [(8R,9S)-8-[2-[(Z)-2-methylbut-2-enoyl]oxypropan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate is a natural product found in Angelica keiskei, Angelica archangelica, and Angelica decurrens with data available.
Molecule SMILES: CC1(C)SC2C(NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2C1C(=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: Carfecillin(1-) is a penicillinate anion. It is a conjugate base of a carfecillin.
Molecule SMILES: O=C(CCCCCCCCc1ccccc1)c1c(O)cc(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 provide a description of this molecule <molecule_2d> ?

assistant: 9-phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one is an aromatic ketone.
Molecule SMILES: O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O

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: 9-Phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one is a natural product found in Horsfieldia glabra with data available.
Molecule SMILES: CC(C)CC(=O)C1=C(c2ccoc2)CCC1C

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: 1-[2-(Furan-3-yl)-5-methylcyclopent-1-en-1-yl]-3-methylbutan-1-one is a natural product found in Eremophila deserti with data available.
Molecule SMILES: CC1CCCCOC(CN(C)CC2CCCCC2)C(C)CN(C(C)CO)C(=O)c2cc(NS(C)(=O)=O)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: N-[(3R,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide is a lactam and an azamacrocycle.
Molecule SMILES: CCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCO

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: Octacosane-1,14-diol is a natural product found in Pisum sativum with data available.
Molecule SMILES: CCC(C)C(=O)OC1C2C=C3C4=CC(=O)OC(c5ccoc5)C4(C)CCC3C(C)(C2=O)C(CC(=O)OC)C1(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: [(1R,2S,5R,6R,13S,14R,16S)-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadeca-9,11-dien-14-yl] (2S)-2-methylbutanoate is a natural product found in Xylocarpus granatum with data available.
Molecule SMILES: COc1cc(C)c(O)c(CC=C(C)CC(=O)C=C(C)CCCC(C)C(=O)C(O)C=C(C)C)c1

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

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

assistant: (2E,6Z)-13-hydroxy-1-(2-hydroxy-5-methoxy-3-methylphenyl)-3,7,11,15-tetramethylhexadeca-2,6,14-triene-5,12-dione is a meroterpenoid that is hexadeca-2,6,14-triene-5,12-dione substituted by a hydroxy group at position 13, a 2-hydroxy-5-methoxy-3-methylphenyl group at position 1 and methyl groups at positions 3, 7, 11 and 15. Isolated from Halidrys siliquosa, it exhibits antibacterial and antifouling activities. It has a role as a metabolite, an antifouling biocide and an antibacterial agent. It is a meroterpenoid, a member of phenols, an aromatic ether, an enone, a secondary alcohol and a secondary alpha-hydroxy ketone.
Molecule SMILES: COC1C(O)COC(OC2C=CC=CC(C)=CC=CC(C)=CCC(C)NC(=O)C(CC(C)C)=CC(C)=CC=CC=CC2(C)O)C1N

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: (3E,5E,7E,9E,13Z,15E,17E,19E,21E)-12-[(4R,5R)-3-amino-5-hydroxy-4-methoxyoxan-2-yl]oxy-11-hydroxy-5,11,17,21,24-pentamethyl-3-(2-methylpropyl)-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one is a natural product found in Streptomyces with data available.
Molecule SMILES: C=CC1C(OC2OC(CO)C(O)C(O)C2OC(=O)C=Cc2ccc(OC(CO)CO)c(OC)c2)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4C3CC21

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: (11S)-12alpha-Ethenyl-11beta-[[2-O-[3-methoxy-4-[2-hydroxy-1-(hydroxymethyl)ethoxy]-trans-cinnamoyl]-beta-D-glucopyranosyl]oxy]-5,11,12,12abeta,13,13abeta-hexahydro-2-hydroxy-3-methoxy-6H,8H-benzo[a]pyrano[3,4-g]quinolizin-8-one is a natural product found in Alangium salviifolium with data available.
Molecule SMILES: C=C(C)C1C=C(C(C)C)C(OC(C)=O)CC2(C)OC2CCC(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: Could you provide a description of this molecule <molecule_2d> ?

assistant: [(1S,3S,4Z,6R,9R,12S)-1,9-dimethyl-7-oxo-4-propan-2-yl-6-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridec-4-en-3-yl] acetate is a natural product found in Eunicea laciniata with data available.
Molecule SMILES: CC(C1CCC2C3CCC4CC5(CCC4(C)C3CCC21C)c1ccccc1C(=O)N5C)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: Provide a description of this molecule <molecule_2d> .

assistant: (3R,5S,8R,9S,10S,13R,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one is a natural product found in Pachysandra terminalis with data available.
Molecule SMILES: C=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C(C)(C)OC(C)=O)C3

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: Rutamarin is a natural product found in Ruta montana, Ruta graveolens, and other organisms with data available.
Molecule SMILES: COC1=CC(=O)c2c(cc(O)c(O)c2C)C1=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: Diploquinone A is a natural product found in Diplodia mutila with data available.
Molecule SMILES: O=c1cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(COC(=[OH+])C=Cc4ccc(O)cc4)C(O)C(O)C3O)cc-2c(O)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: Cyanidin 3-(6-p-coumaroylglucoside) is a flavonoid and a glycoside.
Molecule SMILES: CCNc1nc(=O)[nH]c(=O)[nH]1

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-ethylammelide is a dihydroxy-1,3,5-triazine and a monoamino-1,3,5-triazine. It is functionally related to an ammelide.
Molecule SMILES: COC(=O)C1=CC(O)C(O)C(O)C1Cl

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: Pericosine A is a natural product found in Periconia byssoides with data available.
Molecule SMILES: Cc1cc(O)c(C(=O)O)c(C(O)C23Cc4cc(O)c5c(c4C2C=CC(O)C3O)C(=O)c2c(O)ccc(O)c2C5=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> The above is a compound. Could you please tell me something about it?

assistant: 2-Hydroxy-6-[hydroxy-(1,4,6,9,10-pentahydroxy-5,13-dioxo-8,9,10,12a-tetrahydroindeno[1,2-a]anthracen-8a-yl)methyl]-4-methylbenzoic acid is a natural product found in Ramularia veronicicola with data available.
Molecule SMILES: O=c1c(-c2ccc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)cc2)coc2cc(O)c(O)c(O)c12

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: 5,6,7-trihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]chromen-4-one is a natural product found in Iris germanica with data available.
Molecule SMILES: CCCCOC12CC=CC(=O)C1(C)C1CCC3(C)C(O)(CCC3(O)C(C)(O)C3CC(C)=C(C)C(=O)O3)C1CC2OC(C)=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: Physapruin B is a withanolide.
Molecule SMILES: C=C(C)C12OC3(c4ccccc4)OC1C1C4OC4(COC(=O)CCCCCCCCCCCCCCC)C(O)C4(O)C(=O)C(C)=CC4C1(O3)C(C)C2OC(=O)c1ccccc1

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: [(1R,2S,6S,7S,8S,10R,11S,12R,14S,16S,17S,18R)-8-(hexadecanoyloxymethyl)-6,7-dihydroxy-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] benzoate is a natural product found in Daphne oleoides with data available.
Molecule SMILES: COc1cc(C2OCC3(O)C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23O)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: Describe this molecule: <molecule_2d> .

assistant: 1beta-[4-(beta-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]-4beta-(4-hydroxy-3,5-dimethoxyphenyl)-3aalpha,4,6,6aalpha-tetrahydro-1H,3H-furo[3,4-c]furan-3abeta,6abeta-diol is a natural product found in Akebia trifoliata with data available.
Molecule SMILES: C=C1CC23CC1CCC2C1(C)CCCC(C)(C(=O)[O-])C1C3C(=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: Gibberellin A12(2-) is a dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A12. It is a gibberellin carboxylic acid anion and a dicarboxylic acid dianion. It is a conjugate base of a gibberellin A12.
Molecule SMILES: COC1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OCC(C)NCC1C

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-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide is a lactam and an azamacrocycle.
Molecule SMILES: CC1CN(C(C)CO)C(=O)CCCn2cc(nn2)COC1CN(C)C(=O)Oc1ccc2ccccc2c1

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-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcarbamic acid 2-naphthalenyl ester is a lactam and an azamacrocycle.
Molecule SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OCC1=CC2C3C(C)(C)C3(OC(C)=O)C(O)C(C)C2(O)C2C=C(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: Describe this molecule: <molecule_2d> .

assistant: (3aR)-2,10beta,11,11-Tetramethyl-3-oxo-9alpha,10abeta-dihydroxy-5-(linoleoyloxy)methyl-8beta-(acetyloxy)-7,8-methano-3,3abeta,4,6aalpha,7beta,8,9,10,10a,10bbeta-decahydrobenzo[e]azulene is a natural product found in Croton tiglium with data available.
Molecule SMILES: O=C([O-])C1=NC(C(=O)[O-])CCC1

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: (R)-2,3,4,5-tetrahydrodipicolinate(2-) is a 2,3,4,5-tetrahydrodipicolinate(2-). It is an enantiomer of a (S)-2,3,4,5-tetrahydrodipicolinate(2-).
Molecule SMILES: CC(C)=CCC1(CC=C(C)C)C(=O)c2ccccc2N(C)C1=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: 2,4(1H,3H)-Quinolinedione, 1-methyl-3,3-bis(3-methyl-2-butenyl)- is a natural product found in Esenbeckia almawillia with data available.
Molecule SMILES: COCC(=O)Nc1ccc2c(c1)C(=O)N(C)CC(OC)C(C)CN(Cc1cncnc1)C(C)CO2

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-methoxy-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-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: C=C(C=CC(C)C1CCC2C3CC(=O)C4CC(O)CC(O)C4(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: Could you provide a description of this molecule <molecule_2d> ?

assistant: (1S,3R,5S,8S,9S,10R,13R,14S,17R)-1,3-dihydroxy-10,13-dimethyl-17-[(E,2S)-6-methyl-5-methylidenehept-3-en-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one is a natural product found in Sinularia gibberosa with data available.
Molecule SMILES: C=C1C(=O)OC2C=C(CO)CCC=C(CO)CC(OC(=O)CC(C)C)C12

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: [(3aR,4R,6E,10E,11aR)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate is a natural product found in Melampodium cinereum and Melampodium cinereum var. hirtellum with data available.
Molecule SMILES: O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12

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

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

assistant: Vitexin 2''-O-glucoside is a natural product found in Crataegus pinnatifida with data available.
Molecule SMILES: CC1(C)c2[nH]c3cc(Br)ccc3c2CC23C[NH+]4CCCC4(CC21)C(=O)N3

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: (+)-malbrancheamide C(1+) is an organic molecular entity.
Molecule SMILES: CC(C)CC1C(=O)NC(C(C)O)C(=O)NC(C)C(C)C(=O)OC(Cc2ccccc2)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)N(C)C(Cc2ccccc2)C2=NC(CS2)C(=O)NC(C)C2=NC(CS2)C(=O)N1C

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: Grassypeptolide B is a natural product found in Lyngbya confervoides with data available.
Molecule SMILES: CC(=O)NC(CCCC(=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: Tell me something about this molecule: <molecule_2d>

assistant: (S)-2-acetamido-6-oxopimelic acid is an oxo dicarboxylic acid, a N-acyl-amino acid and a dicarboxylic fatty acid. It is functionally related to a (S)-2-amino-6-oxopimelic acid. It is a conjugate acid of a (S)-2-acetamido-6-oxopimelate(2-).
Molecule SMILES: CC1CN(C(C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2OC1CN(C)Cc1cccc(C(=O)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 description of this molecule <molecule_2d> .

assistant: 3-[[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid is a member of benzoic acids.
Molecule SMILES: CC(C[NH+]1CCC(Cc2ccccc2)CC1)C(O)c1ccc(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: Ro 25-6981(1+) is a piperidinium ion resulting from the protonation of the piperidine nitrogen of Ro 25-6981; major species at pH 7.3. It is a conjugate acid of a Ro 25-6981.
Molecule SMILES: CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])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: Reddish-yellow oily liquid with a faint fruity odor. (NTP, 1992)
Molecule SMILES: CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])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: Paraoxon is an aryl dialkyl phosphate where both the alkyl groups are ethyl and the aryl group is 4-nitrophenyl. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a mouse metabolite. It is an aryl dialkyl phosphate and an organophosphate insecticide.
Molecule SMILES: CCOP(=O)(OCC)Oc1ccc([N+](=O)[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: Paraoxon is a synthetic aryl dialkyl phosphate compound and organophosphate acetylcholinesterase inhibitor that is the active metabolite of the insecticide parathion and is used as a pesticide. It is characterized as a reddish-yellow oily liquid with a faint fruity odor, and exposure occurs by inhalation, ingestion, or contact.
Molecule SMILES: CCOP(=O)(OCC)Oc1ccc([N+](=O)[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: Paraoxon is a natural product found in Apis cerana with data available.
Molecule SMILES: CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])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: Paraoxon is an acetylcholinesterase inhibitor. It is an organophosphate oxon, and the active metabolite of the insecticide parathion. It is also used as an opthamological drug against glaucoma. Paraoxon is one of the most potent acetylcholinesterase-inhibiting insecticides available, around 70% as potent as the nerve agent sarin, and so is now rarely used as an insecticide due to the risk of poisoning to humans and other animals. It is easily absorbed through skin, and was used as an assassination weapon by the apartheid-era South African chemical weapons program Project Coast.
Molecule SMILES: COC1C(O)CCC(CC(C)C2CCC(C)C=CCCC=CC(=O)C(C)C3CCC(C)C(O)(O3)C(=O)C(=O)N3CCCCC3C(=O)O2)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: (1S,9S,12R,15R,16E,20E,23S,24R,27S)-12-[(2S)-1-[(1R,2R,3R,4R)-2,4-dihydroxy-3-methoxycyclohexyl]propan-2-yl]-1-hydroxy-15,23,27-trimethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-16,20-diene-2,3,10,22-tetrone is a natural product found in Micromonospora with data available.
Molecule SMILES: COC1=C(C)C2(C)CC(OC(C)=O)C3C(C)(CC(C)C34C(C)(O)C(O)C(OC(=O)c3ccccc3)C3(C)C(OC(C)=O)CC5(C)CC34OC5=O)C2CC1=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: [(1R,2S,2'S,3R,3'aS,4R,4'R,5R,5'aS,6R,7S,9R,9'aS,9'bS)-4',7-diacetyloxy-3,4-dihydroxy-7'-methoxy-2',3,5'a,6,6',9,9'b-heptamethyl-8',10-dioxospiro[11-oxatricyclo[7.2.1.01,6]dodecane-2,3'-2,3a,4,5,9,9a-hexahydro-1H-cyclopenta[a]naphthalene]-5-yl] benzoate is a natural product found in Ruptiliocarpon caracolito with data available.