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task stringclasses 56 values	split stringclasses 2 values	prompt stringlengths 100 2.13k	response stringlengths 2 8.22k	messages stringlengths 182 9.17k
natural_product_origin	train	Instructions: Identify the producing organism for the named natural product. Context: Many clinically important antibiotics are natural products produced by soil bacteria and fungi. Question: Which organism produces the natural product FR209602?	Coleophoma crateriformis no.738	[{"role": "user", "content": "Instructions: Identify the producing organism for the named natural product.\nContext: Many clinically important antibiotics are natural products produced by soil bacteria and fungi.\nQuestion: Which organism produces the natural product FR209602?"}, {"role": "assistant", "content": "Coleo...
drug_id_lookup	train	Instructions: Identify the DrugBank accession ID for the named drug. Question: What is the DrugBank ID of PF-03654746?	DB12201	[{"role": "user", "content": "Instructions: Identify the DrugBank accession ID for the named drug.\nQuestion: What is the DrugBank ID of PF-03654746?"}, {"role": "assistant", "content": "DB12201"}]
drug_likeness	train	Instructions: Evaluate the drug-likeness of the following compound. Context: Drug-likeness is summarized by Bickerton's QED score and Lipinski's Rule of Five. Question: For this compound, report (a) QED in [0,1], rounded to 2 decimals, and (b) whether it passes Lipinski's Rule of Five. Compound SMILES: C=C/C=C/C1(C)SC(...	QED: 0.69 Lipinski: Pass	[{"role": "user", "content": "Instructions: Evaluate the drug-likeness of the following compound.\nContext: Drug-likeness is summarized by Bickerton's QED score and Lipinski's Rule of Five.\nQuestion: For this compound, report (a) QED in [0,1], rounded to 2 decimals, and (b) whether it passes Lipinski's Rule of Five.\n...
activity_prediction	train	Instructions: Predict the antibacterial activity of the following compound. Context: Vancomycin-resistant Enterococcus faecium causes bloodstream and endocarditis infections; few options remain. Question: What is the predicted MIC (log10 µg/mL) of this compound against Enterococcus faecium (VRE)? Compound SMILES: CC[C@...	0.30	[{"role": "user", "content": "Instructions: Predict the antibacterial activity of the following compound.\nContext: Vancomycin-resistant Enterococcus faecium causes bloodstream and endocarditis infections; few options remain.\nQuestion: What is the predicted MIC (log10 \u00b5g/mL) of this compound against Enterococcus ...
natural_product_origin	train	Instructions: Identify the producing organism for the named natural product. Context: Many clinically important antibiotics are natural products produced by soil bacteria and fungi. Question: Which organism produces the natural product Disorazole-G1?	Sorangium cellulosum, strain So ce12	[{"role": "user", "content": "Instructions: Identify the producing organism for the named natural product.\nContext: Many clinically important antibiotics are natural products produced by soil bacteria and fungi.\nQuestion: Which organism produces the natural product Disorazole-G1?"}, {"role": "assistant", "content": "...
drug_synonyms	train	Instructions: List up to six known names or synonyms for the drug below. Question: What other names is Vildagliptin known by?	Vildagliptin, Vildagliptina	[{"role": "user", "content": "Instructions: List up to six known names or synonyms for the drug below.\nQuestion: What other names is Vildagliptin known by?"}, {"role": "assistant", "content": "Vildagliptin, Vildagliptina"}]
natural_product_smiles	train	Instructions: Provide the canonical SMILES for the named natural product. Question: What is the SMILES of Paraphaeosphaerin A?	SMILES: C[C@H](C[C@@H]1[C@H](O1)/C=C\C=C\C2=CC3=CC(=CC(=C3C(=O)O2)O)O)O	[{"role": "user", "content": "Instructions: Provide the canonical SMILES for the named natural product.\nQuestion: What is the SMILES of Paraphaeosphaerin A?"}, {"role": "assistant", "content": "SMILES: C[C@H](C[C@@H]1[C@H](O1)/C=C\\C=C\\C2=CC3=CC(=CC(=C3C(=O)O2)O)O)O"}]
drug_cas_lookup	train	Instructions: Provide the CAS Registry Number for the named drug. Question: What is the CAS number of Tulathromycin A?	217500-96-4	[{"role": "user", "content": "Instructions: Provide the CAS Registry Number for the named drug.\nQuestion: What is the CAS number of Tulathromycin A?"}, {"role": "assistant", "content": "217500-96-4"}]
peptide_design	train	Instructions: Design a short antimicrobial peptide (AMP) for the following pathogen. Context: Methicillin-resistant Staphylococcus aureus is a major hospital-acquired pathogen causing skin, blood, and bone infections. Question: Generate a single 10–30 residue antimicrobial peptide against Staphylococcus aureus (MRSA), ...	Sequence: KKAFAAAAAFAAWAAFAKKKK	[{"role": "user", "content": "Instructions: Design a short antimicrobial peptide (AMP) for the following pathogen.\nContext: Methicillin-resistant Staphylococcus aureus is a major hospital-acquired pathogen causing skin, blood, and bone infections.\nQuestion: Generate a single 10\u201330 residue antimicrobial peptide a...
natural_product_origin	train	Instructions: Identify the producing organism for the named natural product. Context: Many clinically important antibiotics are natural products produced by soil bacteria and fungi. Question: Which organism produces the natural product Scytocyclamide A2?	Scytonema hofmannii PCC 7110	[{"role": "user", "content": "Instructions: Identify the producing organism for the named natural product.\nContext: Many clinically important antibiotics are natural products produced by soil bacteria and fungi.\nQuestion: Which organism produces the natural product Scytocyclamide A2?"}, {"role": "assistant", "content...
drug_id_lookup	train	Instructions: Identify the DrugBank accession ID for the named drug. Question: What is the DrugBank ID of Quindecamine?	DB20961	[{"role": "user", "content": "Instructions: Identify the DrugBank accession ID for the named drug.\nQuestion: What is the DrugBank ID of Quindecamine?"}, {"role": "assistant", "content": "DB20961"}]
activity_prediction	train	Instructions: Predict the antibacterial activity of the following compound. Context: Methicillin-resistant Staphylococcus aureus is a major hospital-acquired pathogen causing skin, blood, and bone infections. Question: What is the predicted MIC (log10 µg/mL) of this compound against Staphylococcus aureus (MRSA)? Compou...	0.70	[{"role": "user", "content": "Instructions: Predict the antibacterial activity of the following compound.\nContext: Methicillin-resistant Staphylococcus aureus is a major hospital-acquired pathogen causing skin, blood, and bone infections.\nQuestion: What is the predicted MIC (log10 \u00b5g/mL) of this compound against...
drug_likeness	train	Instructions: Evaluate the drug-likeness of the following compound. Context: Drug-likeness is summarized by Bickerton's QED score and Lipinski's Rule of Five. Question: For this compound, report (a) QED in [0,1], rounded to 2 decimals, and (b) whether it passes Lipinski's Rule of Five. Compound SMILES: CCC(=O)O[C@@]1([...	QED: 0.50 Lipinski: Pass	[{"role": "user", "content": "Instructions: Evaluate the drug-likeness of the following compound.\nContext: Drug-likeness is summarized by Bickerton's QED score and Lipinski's Rule of Five.\nQuestion: For this compound, report (a) QED in [0,1], rounded to 2 decimals, and (b) whether it passes Lipinski's Rule of Five.\n...
drug_likeness	train	Instructions: Evaluate the drug-likeness of the following compound. Context: Drug-likeness is summarized by Bickerton's QED score and Lipinski's Rule of Five. Question: For this compound, report (a) QED in [0,1], rounded to 2 decimals, and (b) whether it passes Lipinski's Rule of Five. Compound SMILES: [188Re]	QED: 0.50 Lipinski: Pass	[{"role": "user", "content": "Instructions: Evaluate the drug-likeness of the following compound.\nContext: Drug-likeness is summarized by Bickerton's QED score and Lipinski's Rule of Five.\nQuestion: For this compound, report (a) QED in [0,1], rounded to 2 decimals, and (b) whether it passes Lipinski's Rule of Five.\n...
natural_product_origin_smiles	train	Instructions: Identify the producing genus for the natural product whose structure is below. Context: Many antibiotics derive from specific bacterial or fungal genera (Streptomyces produces vancomycin, Penicillium produces penicillin, etc.). Question: Which genus most likely produces this compound? SMILES: CC(C)CCCCCCC...	Streptomyces	[{"role": "user", "content": "Instructions: Identify the producing genus for the natural product whose structure is below.\nContext: Many antibiotics derive from specific bacterial or fungal genera (Streptomyces produces vancomycin, Penicillium produces penicillin, etc.).\nQuestion: Which genus most likely produces thi...
activity_prediction	train	Instructions: Predict the antibacterial activity of the following compound. Context: P. aeruginosa is intrinsically resistant to many antibiotics and a leading cause of CF lung infection. Question: What is the predicted MIC (log10 µg/mL) of this compound against Pseudomonas aeruginosa? Compound SMILES: CC[C@H](C)[C@H](...	2.41	[{"role": "user", "content": "Instructions: Predict the antibacterial activity of the following compound.\nContext: P. aeruginosa is intrinsically resistant to many antibiotics and a leading cause of CF lung infection.\nQuestion: What is the predicted MIC (log10 \u00b5g/mL) of this compound against Pseudomonas aerugino...
drug_id_lookup	train	Instructions: Identify the DrugBank accession ID for the named drug. Question: What is the DrugBank ID of GTS-21?	DB05708	[{"role": "user", "content": "Instructions: Identify the DrugBank accession ID for the named drug.\nQuestion: What is the DrugBank ID of GTS-21?"}, {"role": "assistant", "content": "DB05708"}]
drug_cas_lookup	train	Instructions: Provide the CAS Registry Number for the named drug. Question: What is the CAS number of Levoleucovorin?	68538-85-2	[{"role": "user", "content": "Instructions: Provide the CAS Registry Number for the named drug.\nQuestion: What is the CAS number of Levoleucovorin?"}, {"role": "assistant", "content": "68538-85-2"}]
natural_product_smiles	train	Instructions: Provide the canonical SMILES for the named natural product. Question: What is the SMILES of Sorbistin D?	SMILES: C(C1[C@H](C(C([C@H](O1)O[C@H]([C@H](CN)O)[C@@H]([C@@H](CO)O)N)O)O)N)O	[{"role": "user", "content": "Instructions: Provide the canonical SMILES for the named natural product.\nQuestion: What is the SMILES of Sorbistin D?"}, {"role": "assistant", "content": "SMILES: C(C1[C@H](C(C([C@H](O1)O[C@H]([C@H](CN)O)[C@@H]([C@@H](CO)O)N)O)O)N)O"}]
drug_likeness	train	Instructions: Evaluate the drug-likeness of the following compound. Context: Drug-likeness is summarized by Bickerton's QED score and Lipinski's Rule of Five. Question: For this compound, report (a) QED in [0,1], rounded to 2 decimals, and (b) whether it passes Lipinski's Rule of Five. Compound SMILES: C1CCN(C1)CCCCNC(...	QED: 0.40 Lipinski: Pass	[{"role": "user", "content": "Instructions: Evaluate the drug-likeness of the following compound.\nContext: Drug-likeness is summarized by Bickerton's QED score and Lipinski's Rule of Five.\nQuestion: For this compound, report (a) QED in [0,1], rounded to 2 decimals, and (b) whether it passes Lipinski's Rule of Five.\n...
safety_prediction	train	Instructions: Predict the hemolytic activity of the following antimicrobial peptide. Context: Hemolytic peptides lyse red blood cells, limiting therapeutic use. We want HIGH antibacterial activity with LOW hemolysis. Question: Will this peptide cause hemolysis at therapeutic concentrations? Answer Yes or No. Peptide se...	No	[{"role": "user", "content": "Instructions: Predict the hemolytic activity of the following antimicrobial peptide.\nContext: Hemolytic peptides lyse red blood cells, limiting therapeutic use. We want HIGH antibacterial activity with LOW hemolysis.\nQuestion: Will this peptide cause hemolysis at therapeutic concentratio...
drug_smiles	train	Instructions: Provide the canonical SMILES string for the named drug. Question: What is the SMILES of Amylmetacresol?	SMILES: CCCCCC1=C(C=C(C=C1)C)O	[{"role": "user", "content": "Instructions: Provide the canonical SMILES string for the named drug.\nQuestion: What is the SMILES of Amylmetacresol?"}, {"role": "assistant", "content": "SMILES: CCCCCC1=C(C=C(C=C1)C)O"}]
drug_id_lookup	train	Instructions: Identify the DrugBank accession ID for the named drug. Question: What is the DrugBank ID of N-[(1S)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide?	DB07449	[{"role": "user", "content": "Instructions: Identify the DrugBank accession ID for the named drug.\nQuestion: What is the DrugBank ID of N-[(1S)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide?"}, {"role": "assistant", "content": "DB07449"}]
drug_id_lookup	train	Instructions: Identify the DrugBank accession ID for the named drug. Question: What is the DrugBank ID of Carmoxirole?	DB20952	[{"role": "user", "content": "Instructions: Identify the DrugBank accession ID for the named drug.\nQuestion: What is the DrugBank ID of Carmoxirole?"}, {"role": "assistant", "content": "DB20952"}]
drug_cas_lookup	train	Instructions: Provide the CAS Registry Number for the named drug. Question: What is the CAS number of Aliconazole?	63824-12-4	[{"role": "user", "content": "Instructions: Provide the CAS Registry Number for the named drug.\nQuestion: What is the CAS number of Aliconazole?"}, {"role": "assistant", "content": "63824-12-4"}]
drug_inchi_key	train	Instructions: Provide the Standard InChI Key for the named drug. Context: The InChI Key is a 27-character hash that uniquely identifies a chemical structure across databases. Question: What is the Standard InChI Key of LSZ-102?	SJXNPGGVGZXKKI-NYYWCZLTSA-N	[{"role": "user", "content": "Instructions: Provide the Standard InChI Key for the named drug.\nContext: The InChI Key is a 27-character hash that uniquely identifies a chemical structure across databases.\nQuestion: What is the Standard InChI Key of LSZ-102?"}, {"role": "assistant", "content": "SJXNPGGVGZXKKI-NYYWCZLT...
drug_cas_lookup	train	Instructions: Provide the CAS Registry Number for the named drug. Question: What is the CAS number of epomediol?	56084-15-2	[{"role": "user", "content": "Instructions: Provide the CAS Registry Number for the named drug.\nQuestion: What is the CAS number of epomediol?"}, {"role": "assistant", "content": "56084-15-2"}]
natural_product_origin	train	Instructions: Identify the producing organism for the named natural product. Context: Many clinically important antibiotics are natural products produced by soil bacteria and fungi. Question: Which organism produces the natural product Oidiolactone A?	Oidiodendron truncatum	[{"role": "user", "content": "Instructions: Identify the producing organism for the named natural product.\nContext: Many clinically important antibiotics are natural products produced by soil bacteria and fungi.\nQuestion: Which organism produces the natural product Oidiolactone A?"}, {"role": "assistant", "content": ...
drug_likeness	train	Instructions: Evaluate the drug-likeness of the following compound. Context: Drug-likeness is summarized by Bickerton's QED score and Lipinski's Rule of Five. Question: For this compound, report (a) QED in [0,1], rounded to 2 decimals, and (b) whether it passes Lipinski's Rule of Five. Compound SMILES: CCSSCCNC(=O)[C@H...	QED: 0.04 Lipinski: Fail	[{"role": "user", "content": "Instructions: Evaluate the drug-likeness of the following compound.\nContext: Drug-likeness is summarized by Bickerton's QED score and Lipinski's Rule of Five.\nQuestion: For this compound, report (a) QED in [0,1], rounded to 2 decimals, and (b) whether it passes Lipinski's Rule of Five.\n...
drug_from_smiles	train	Instructions: Identify the drug whose structure is given. Question: Which approved or investigational drug has the SMILES below? SMILES: CC(C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)C(=O)O	Pranoprofen	[{"role": "user", "content": "Instructions: Identify the drug whose structure is given.\nQuestion: Which approved or investigational drug has the SMILES below?\nSMILES: CC(C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)C(=O)O"}, {"role": "assistant", "content": "Pranoprofen"}]
drug_smiles	train	Instructions: Provide the canonical SMILES string for the named drug. Question: What is the SMILES of Metergoline?	SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5	[{"role": "user", "content": "Instructions: Provide the canonical SMILES string for the named drug.\nQuestion: What is the SMILES of Metergoline?"}, {"role": "assistant", "content": "SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5"}]
natural_product_origin	train	Instructions: Identify the producing organism for the named natural product. Context: Many clinically important antibiotics are natural products produced by soil bacteria and fungi. Question: Which organism produces the natural product Abyssomicin K?	Verrucosispora sp. MS100128	[{"role": "user", "content": "Instructions: Identify the producing organism for the named natural product.\nContext: Many clinically important antibiotics are natural products produced by soil bacteria and fungi.\nQuestion: Which organism produces the natural product Abyssomicin K?"}, {"role": "assistant", "content": "...
drug_cas_lookup	train	Instructions: Provide the CAS Registry Number for the named drug. Question: What is the CAS number of Aluminium tristearate?	637-12-7	[{"role": "user", "content": "Instructions: Provide the CAS Registry Number for the named drug.\nQuestion: What is the CAS number of Aluminium tristearate?"}, {"role": "assistant", "content": "637-12-7"}]
natural_product_origin	train	Instructions: Identify the producing organism for the named natural product. Context: Many clinically important antibiotics are natural products produced by soil bacteria and fungi. Question: Which organism produces the natural product Argyrin A?	Archangium gephyra	[{"role": "user", "content": "Instructions: Identify the producing organism for the named natural product.\nContext: Many clinically important antibiotics are natural products produced by soil bacteria and fungi.\nQuestion: Which organism produces the natural product Argyrin A?"}, {"role": "assistant", "content": "Arch...
peptide_design	train	Instructions: Design a short antimicrobial peptide (AMP) for the following pathogen. Context: ESBL-producing or carbapenem-resistant E. coli causes severe urinary tract and bloodstream infections, often untreatable. Question: Generate a single 10–30 residue antimicrobial peptide against Escherichia coli (ESBL+ / CRE), ...	Sequence: AKKVFKRLEKLFSKIFNFK	[{"role": "user", "content": "Instructions: Design a short antimicrobial peptide (AMP) for the following pathogen.\nContext: ESBL-producing or carbapenem-resistant E. coli causes severe urinary tract and bloodstream infections, often untreatable.\nQuestion: Generate a single 10\u201330 residue antimicrobial peptide aga...
drug_id_lookup	train	Instructions: Identify the DrugBank accession ID for the named drug. Question: What is the DrugBank ID of Bunazosin?	DB12230	[{"role": "user", "content": "Instructions: Identify the DrugBank accession ID for the named drug.\nQuestion: What is the DrugBank ID of Bunazosin?"}, {"role": "assistant", "content": "DB12230"}]
natural_product_origin_smiles	train	Instructions: Identify the producing genus for the natural product whose structure is below. Context: Many antibiotics derive from specific bacterial or fungal genera (Streptomyces produces vancomycin, Penicillium produces penicillin, etc.). Question: Which genus most likely produces this compound? SMILES: CCCC(=O)NCCC...	Streptomyces	[{"role": "user", "content": "Instructions: Identify the producing genus for the natural product whose structure is below.\nContext: Many antibiotics derive from specific bacterial or fungal genera (Streptomyces produces vancomycin, Penicillium produces penicillin, etc.).\nQuestion: Which genus most likely produces thi...
drug_likeness	train	Instructions: Evaluate the drug-likeness of the following compound. Context: Drug-likeness is summarized by Bickerton's QED score and Lipinski's Rule of Five. Question: For this compound, report (a) QED in [0,1], rounded to 2 decimals, and (b) whether it passes Lipinski's Rule of Five. Compound SMILES: C([C@H](C(=O)O)N...	QED: 0.42 Lipinski: Pass	[{"role": "user", "content": "Instructions: Evaluate the drug-likeness of the following compound.\nContext: Drug-likeness is summarized by Bickerton's QED score and Lipinski's Rule of Five.\nQuestion: For this compound, report (a) QED in [0,1], rounded to 2 decimals, and (b) whether it passes Lipinski's Rule of Five.\n...
drug_synonyms	train	Instructions: List up to six known names or synonyms for the drug below. Question: What other names is (6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE known by?	(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE	[{"role": "user", "content": "Instructions: List up to six known names or synonyms for the drug below.\nQuestion: What other names is (6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE known by?"}, {"role": "assistant", "content": "(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE"}]
drug_reverse_cas	train	Instructions: Identify the drug given its CAS Registry Number. Question: Which drug has CAS number 940908-79-2?	Mericitabine	[{"role": "user", "content": "Instructions: Identify the drug given its CAS Registry Number.\nQuestion: Which drug has CAS number 940908-79-2?"}, {"role": "assistant", "content": "Mericitabine"}]