IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(=O)OCC1c2ccoc2CC2(C)C(C)CC(=O)C12C

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: 15-Acetoxypinguisone is a natural product found in Aneura mirabilis with data available.
Molecule SMILES: COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)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: Esculentoside S is a natural product found in Phytolacca dodecandra, Phytolacca dioica, and other organisms with data available.
Molecule SMILES: COC(=O)CCC1=CC2=CC(=O)C(C)(O)C(OC(=O)c3c(C)cc(O)cc3O)C2CO1

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: Talaraculone C is a natural product found in Talaromyces aculeatus with data available.
Molecule SMILES: CCC(C)C=C(C)C=CC=CC(N)=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: Bipolamide B is a natural product found in Bipolaris with data available.
Molecule SMILES: CC1CC(C2CCC3C4C(CCCN23)OC(=O)C4C)OC1=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: (1S,2R,3S,6R,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-one is a natural product found in Stemona tuberosa, Stemona pierrei, and Stemona japonica with data available.
Molecule SMILES: S=c1sc2nc3ccccc3nc2s1

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: Thioquinox is a quinoxaline acaricide, a quinoxaline antifungal agent and a dithioloquinoxaline.
Molecule SMILES: CNCC1OCCCCC(C)Oc2ccc(NC(=O)c3ccccc3)cc2C(=O)N(C(C)CO)CC1C

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,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide is a lactam and an azamacrocycle.
Molecule SMILES: O=C(O)c1cc(O)cc2cccnc12

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-Hydroxyquinoline-8-carboxylic acid is a natural product found in Cortinarius subtortus with data available.
Molecule SMILES: CC1C2CCC(=O)C3C(=O)C1(C)C(=O)C(C)(O)C32

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: Penicillone A is a natural product found in Penicillium terrestre and Penicillium solitum with data available.
Molecule SMILES: CC(C)c1cc2c(c(O)c1O)C1(C(=O)O)CCCC(C)(C)C1CC2

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: Carnosic acid, Free acid is a natural product found in Salvia with data available.
Molecule SMILES: COC(=O)C(Cl)Cc1ccc(Cl)cc1

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: Chlorfenprop-methyl is a member of monochlorobenzenes.
Molecule SMILES: CC(=O)OC(C)C(C=C1C=C(C)C2=NCCC3OC123)OC(=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: Tell me something about this molecule: <molecule_2d>

assistant: [(1Z,2R,3S)-3-acetyloxy-1-[(1R,3S)-8-methyl-2-oxa-6-azatricyclo[5.3.0.01,3]deca-6,8-dien-10-ylidene]butan-2-yl] 2-methylpropanoate is a natural product found in Streptomyces with data available.
Molecule SMILES: C=C(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4O)C=C3C(O)CC12O)C(C)CO

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: (3S,6R,8S,9R,10R,13R,14S,15R,16R,17R)-17-[(2R,6S)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,6,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-6,8,15,16-tetrol is a natural product found in Linckia laevigata with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C

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

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

assistant: (2-{[(2R)-3-(hexacosanoyloxy)-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazanium is a 1-O-acyl-sn-glycero-3-phosphocholine.
Molecule SMILES: COC(=O)C12CCC(C)(C)C(O)C1C1=CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2

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: methyl (1S,4aR,6aS,6aS,6bR,8aR,10R,12aR,14bS)-10-acetyloxy-1-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate is a natural product found in Gardenia latifolia with data available.
Molecule SMILES: O=C(NCCC1CCC(NS(=O)(=O)c2ccc(F)cc2)C(CO)O1)Nc1ccc(Cl)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: 1-(4-chlorophenyl)-3-[2-[(2R,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]urea is a C-glycosyl compound.
Molecule SMILES: COC1C(OC(N)=O)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C

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: 7-[(4-Carbamoyloxy-3-hydroxy-6,6-dimethyl-5-methoxytetrahydro-2H-pyran-2-yl)oxy]-3-[4-hydroxy-3-(3-methyl-2-butenyl)phenylcarbonylamino]-4-hydroxy-8-methylcoumarin is a natural product found in Streptomyces niveus and Actinoalloteichus cyanogriseus with data available.
Molecule SMILES: CN(C)Cc1c(C(=O)NN=Cc2ccccc2OCc2ccc(F)cc2)nnn1-c1nonc1N

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

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

assistant: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-triazolecarboxamide is an aromatic ether.
Molecule SMILES: CC1OC(OCCCCCN)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(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: <molecule_2d> What do you know about the molecule?

assistant: Beta-D-Galp-(1->2)-alpha-D-Galp-(1->3)-beta-L-RhapO[CH2]5NH2 is a linear trisaccharide derivative consisting of beta-D-galactose, alpha-D-galactose and beta-L-rhamnose residues linked sequentially (1->2) and (1->3) with the rhamnose residue linked glycosidically to a 5-aminopentyl group. It is a trisaccharide derivative and a glycoside.
Molecule SMILES: CC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)B(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: Ac-(D)Phe-Pro-boroArg-OH is a C-terminal boronic acid petide that is N-acetyl-D-phenylalanyl-L-prolyl-L-arginine in which the C-termnal carboxy group has been replaced by a borono (-B(OH)2) group. A thrombin (Factor IIa) inhibitor, thereby acting as an anticoagulant. It has a role as an EC 3.4.21.5 (thrombin) inhibitor and an anticoagulant. It is a C-terminal boronic acid peptide, a member of acetamides and a member of guanidines. It is a conjugate base of an Ac-(D)Phe-Pro-boroArg-OH(1+).
Molecule SMILES: C=C(C)C(CC)CCC(C)C1CCC2(C)C3CC(OS(=O)(=O)O)C4C(O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)CC4(C)C3=CCC12C

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,3S,4R,5R,6S,8S,10S,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylhept-6-en-2-yl]-4-hydroxy-10,13,14-trimethyl-2,3-disulfooxy-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] hydrogen sulfate is a natural product found in Spheciospongia with data available.
Molecule SMILES: CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(NC(C)=O)C(OC4C(O)C(O)OC(CO)C4O)OC(CO)C3OC3OC(C)C(O)C(O)C3O)C2O)(C(=O)O)OC1C(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: Describe this molecule: <molecule_2d> .

assistant: (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is a member of neuraminic acids.
Molecule SMILES: CC1CCCCOC(CN(C)C(=O)Nc2ccccc2)C(C)CN(C(C)CO)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: Tell me something about this molecule: <molecule_2d>

assistant: 1-[[(3R,9R,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea is an azamacrocycle and a lactam.
Molecule SMILES: CC(=CCC1OC2CC3(C)C4CCC5C(C)(C)C(OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC3(C)C2C1C)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: Depressoside C is a natural product found in Corchorus depressus with data available.
Molecule SMILES: CCS(=O)(=O)N1CCC2(CC1)CN(C(=O)c1cccc(F)c1)C(CO)c1c2c2ccc(OC)cc2n1C

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)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(3-fluorophenyl)methanone is a harmala alkaloid.
Molecule SMILES: COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C

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: Trigofoenoside D-1 is a natural product found in Dioscorea spongiosa with data available.
Molecule SMILES: C=C1C(=O)C23C(O)CC4C(C)(C)CCCC4(CO)C2C(O)CC1C3O

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: Kamebakaurinin is a natural product found in Isodon rubescens and Isodon umbrosus with data available.
Molecule SMILES: C=C(C)C1CCC2(C)CCC(=O)C(C)=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: (4aR)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one is a natural product found in Cyperus rotundus with data available.
Molecule SMILES: COc1ccc(CC2COC(=O)C2Cc2cc(OC)c(O)c(-c3cc(CC4C(=O)OCC4Cc4ccc(OC)c(OC)c4)cc(OC)c3O)c2)cc1OC

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: Diarctigenin is a natural product found in Arctium lappa with data available.
Molecule SMILES: CC1OC(OC2C(CO)OC(OC3C(CO)=CC(NC4C(C)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(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: Acarviostatin II03 is a natural product found in Streptomyces coelicoflavus with data available.
Molecule SMILES: COc1cc(O)c2c(=O)oc(CC(Cl)CO)cc2c1

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: Peniisocoumarin E is a natural product found in Penicillium commune and Kandelia candel with data available.
Molecule SMILES: C=C(C)C(=O)CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(=O)CCC45CC35CCC12C

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: (1S,3R,8R,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-oxohept-6-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one is a natural product found in Toxicodendron sylvestre with data available.
Molecule SMILES: CC(=O)OC1CC(C(C)C)C2(CO)CCC3(C)C4C(=CCC3(C)C12)C1(C)CCC(O)C(C)(C)C1CC4O

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,3S,3aR,5aS,5bS,6S,7aS,9S,11aS,13aR,13bR)-6,9-dihydroxy-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-1-yl] acetate is a natural product found in Rubia yunnanensis with data available.
Molecule SMILES: CCC(CCC(C)C1CCC2C3CCC4CC(=O)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (5S,8S,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one is a natural product found in Larix kaempferi with data available.
Molecule SMILES: O=C(Cc1ccccc1)NC1C=CC(CC(=O)N2CCOCC2)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> What do you know about the molecule?

assistant: N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide is a member of acetamides.
Molecule SMILES: CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C

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: (24R)-Cycloartane-3alpha,24,25-triol is a natural product found in Abies forrestii with data available.
Molecule SMILES: C=C1C(=O)OC2C=C(C)CCC=C(C(=O)OC)C(O)C(OC(=O)C(C)=CC)C12

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

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

assistant: Polymatin A is a sesquiterpene lactone.
Molecule SMILES: C=C(C)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: <molecule_2d> What do you know about the molecule?

assistant: 4-Isopropenylcyclohexanone is a natural product found in Citrus deliciosa and Citrus reticulata with data available.
Molecule SMILES: NCCc1ccccc1S(=O)(=O)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: 2-(2-aminoethyl)benzenesulfonyl fluoride is a primary amine.
Molecule SMILES: CCC1CC2CC3C4CC=CC(=O)NCCCC5NC(=O)C(=C(O)C=CC4CC(=O)C3C2C1C)C5=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: 10-epi-xanthobaccin C is a natural product found in Streptomyces with data available.
Molecule SMILES: C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)(C)O)CC(C)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: 1alpha,25-dihydroxy-3alpha-methyl-3-deoxyvitamin D3 /1alpha,25-dihydroxy-3alpha-methyl-3-deoxycholecalciferol is a vitamin D.
Molecule SMILES: CCC(C)C1NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C(C)=O)C(C)O)C(C)OC(=O)C(C(C)C)NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)N2C(=O)C(CCC2O)NC1=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: (2S)-1-acetyl-N-[(2S,3R)-1-[[(2S,5S,8S,11R,12S,15S,18R,21S)-2-benzyl-15-[(2S)-butan-2-yl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide is a natural product found in Lyngbya with data available.
Molecule SMILES: COc1c(CC=C(C)C)c(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: Derrisisoflavone A is a natural product found in Ardisia paniculata with data available.
Molecule SMILES: CC(O)CCC1C(C)CC(OC2OC(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: [(1S,4S,5R)-4-[(R)-3-Hydroxybutyl]-3,3,5-trimethylcyclohexyl]beta-D-glucopyranoside is a natural product found in Tripterygium regelii, Croton laevigatus, and other organisms with data available.
Molecule SMILES: CCC(C)C1NC(=O)C(Cc2ccccc2)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C2CSSCC3NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(Cc4ccccc4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CSSCC(NC(=O)C4CCCN4C(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(Cc4ccccc4)NC(=O)C(C)NC(=O)C(NC(=O)C(Cc4ccccc4)NC(=O)C(CO)NC(=O)C(Cc4cnc[nH]4)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C(N)CCC(=O)O)CSSCC(C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)O)C(C)O)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC3=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(Cc3cnc[nH]3)C(=O)N3CCCC3C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)NC(Cc3ccccc3)C(=O)NC(Cc3ccccc3)C(=O)NC(CC(N)=O)C(=O)NC(C(C)CC)C(=O)NC(Cc3ccccc3)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)N2)NC(=O)CNC(=O)CNC(=O)C(Cc2ccc(O)cc2)NC1=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: Ecallantide is a potent and selective human plasma kallikrein inhibitor that is indicated for the symptomatic treatment of hereditary angioedema. Ecallantide is a recombinant 60-amino-acid protein produced in Pichia pastoris yeast cells that contains three intramolecular disulfide bonds. It was discovered by phage display technology. It shares sequence similarities with the naturally occurring human protein tissue-factor pathway inhibitor (TFPI), which is also known lipoprotein-associated coagulation inhibitor (LACI). The amino acid sequence of two compounds differ by seven amino acids.   Ecallantide works by blocking kallikrein to participate in the kallikrein-kinin system, which is a complex proteolytic cascade that initiates inflammatory and coagulation pathways. The protease plasma kallikerin facilitates the conversion of kininogen to bradykinin, which is a pro-inflammatory vasodilator that  increases vascular permeability and induces pain. Hereditary angioedema is a rare autosomal dominant disorder with mutations to C1-esterase-inhibitor (C1-INH) located on Chromosome 11q, resulting in substantially lower levels of C4 and C1-INH activity. The disorder is associated with recurrent attacks of severe swelling and is thought to be caused by unregulated activity of kallikrein and excessive bradykinin production. By reversibly binding to plasma kallikrein, ecallantide displays a rapid on-rate and a slow off-rate that results in high affinity inhibition in the picomolar range. Ecallantide is marketed by FDA and EMA under the trade name Kalbitor for subcutaneous injection. Apart from its FDA and EMA indication, ecallantide has been used off label in the management of nonhistaminergic angioedema, not due to HAE.
Molecule SMILES: COc1ccc(C=CCO)cc1OC1OC(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: Provide a description of this molecule <molecule_2d> .

assistant: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol is a natural product found in Angelica archangelica with data available.
Molecule SMILES: CCC=CCC1OC1C=CC=CC=CCC=CCC=CCCC(=O)[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: (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoate is a docosanoid anion that is the conjugate base of (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion, a long-chain fatty acid anion and a polyunsaturated fatty acid anion. It is a conjugate base of a (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid.
Molecule SMILES: COc1cc(C2OC2CO)ccc1O

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: 4-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]-2-methoxyphenol is a natural product found in Nardostachys jatamansi, Hyoscyamus niger, and Valeriana jatamansi with data available.
Molecule SMILES: CC(C)=CC(=O)NC1=CC(=O)C2(C)CC(O)C(C)N12

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: Bohemamine B is a natural product found in Streptomyces and Streptomyces spinoverrucosus with data available.