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+{"N[C@@H](Cc1ccccn1)c1ccccc1": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the polar surface area (PSA) value of this compound?", 38.91], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the calculated ALogP value for this compound?", 2.32], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 15], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 3], ["How many aromatic rings does this compound have?", 2], ["What is the molecular formula of this compound, including any salt that it may have?", "C13H14N2"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["What is the molecular weight of this compound's parent molecule?", 198.27], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Please provide a description of this drug's mechanism of action.", "Glutamate [NMDA] receptor blocker"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O": [["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H28ClN3O5S"], ["How many hydrogen bond acceptors does this compound have?", 4], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the polar surface area (PSA) value of this compound?", 48.39], ["What is the calculated ALogP value for this compound?", 3.78], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Please provide a description of this drug's mechanism of action.", "Ferriprotoporphyrin IX inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["Please provide a description of this drug's mechanism of action.", "Toll-like receptor 9 antagonist"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 335.88], ["What is the first recorded year of approval for this drug?", 1955], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 23], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Please provide a description of this drug's mechanism of action.", "Toll-like receptor 7 antagonist"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C(CCCCCCC(=O)Nc1ccccc1)NO": [["How many heavy (non-hydrogen) atoms does this compound have?", 19], ["What is the definition of this compound's USAN stem?", "enzyme inhibitors: histone deacetylase inhibitors"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Please provide a description of this drug's mechanism of action.", "Histone deacetylase 1 inhibitor"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Histone deacetylase 2 inhibitor"], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Please provide a description of this drug's mechanism of action.", "Histone deacetylase 3 inhibitor"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 2.47], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 8], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H20N2O3"], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 264.32], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the first recorded year of approval for this drug?", 2006], ["Please provide a description of this drug's mechanism of action.", "Histone deacetylase 6 inhibitor"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-stat (-inostat)"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 78.43]], "C[C@H](N)C(=O)N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21": [["What is the molecular weight of this compound's parent molecule?", 355.38], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the calculated ALogP value for this compound?", -1.1], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the polar surface area (PSA) value of this compound?", 171.29], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 6], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many hydrogen bond donors does this compound have?", 5], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["Please provide a description of this drug's mechanism of action.", "Metabotropic glutamate receptor 2 agonist"], ["What is the molecular formula of this compound, including any salt that it may have?", "C13H17N5O5S"], ["Determine if this compound is a prodrug.", "Yes"]], "CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 3], ["Is it known whether this drug is applied topically?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 49], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 10], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Kappa opioid receptor agonist"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C36H53N7O6"], ["How many aromatic rings does this compound have?", 2], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-kef-"], ["How many hydrogen bond donors does this compound have?", 7], ["How many rotatable bonds does this compound have?", 18], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "Yes"], ["Is it known whether this drug is taken orally?", "No"], ["What is the molecular weight of this compound's parent molecule?", 679.86], ["Determine the type of availability for this drug.", "prescription only"], ["What is the calculated ALogP value for this compound?", 0.83], ["What is the definition of this compound's USAN stem?", "enkephalin agonists (various indications)"], ["Is this compound an acid, a base, or neutral?", "ZWITTERION"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 13], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"], ["What is the polar surface area (PSA) value of this compound?", 222.97], ["What is the first recorded year of approval for this drug?", 2021]], "CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O": [["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the polar surface area (PSA) value of this compound?", 47.02], ["What is the calculated ALogP value for this compound?", 3.49], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 411.57], ["What is the first recorded year of approval for this drug?", 1961], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C31H37N3O10S"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["Please provide a description of this drug's mechanism of action.", "Dopamine D2 receptor antagonist"]], "CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["How many aromatic rings does this compound have?", 0], ["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C40H80NO8P"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["What is the first recorded year of approval for this drug?", 1990], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-fos-"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Please provide a description of this drug's mechanism of action.", "Lung surfactant"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["What is the definition of this compound's USAN stem?", "phosphoro-derivatives"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["What is the calculated ALogP value for this compound?", 10.61], ["What is the polar surface area (PSA) value of this compound?", 111.19], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 50], ["How many rotatable bonds does this compound have?", 38], ["What is the molecular weight of this compound's parent molecule?", 734.05], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular weight of this compound's parent molecule?", 347.22], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 12], ["How many hydrogen bond acceptors does this compound have?", 10], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["What is the calculated ALogP value for this compound?", -1.86], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 6], ["Determine the type of availability for this drug.", "withdrawn"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many hydrogen bond donors does this compound have?", 5], ["Is it known whether this drug is taken orally?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C10H14N5O7P"], ["How many heavy (non-hydrogen) atoms does this compound have?", 23], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Unknown"], ["What is the polar surface area (PSA) value of this compound?", 186.07], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C=C(C#N)C(=O)OC(C)CCCCCC": [["How many aromatic rings does this compound have?", 0], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular weight of this compound's parent molecule?", 209.29], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many hydrogen bond donors does this compound have?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 15], ["What is the molecular formula of this compound, including any salt that it may have?", "C12H19NO2"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["What is the polar surface area (PSA) value of this compound?", 50.09], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 2.97], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Skin adhesive"]], "CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.O": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["What is the molecular formula of this compound, including any salt that it may have?", "C43H44ClFN4O11S3"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 40], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many aromatic rings does this compound have?", 5], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Receptor protein-tyrosine kinase erbB-2 inhibitor"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Please provide a description of this drug's mechanism of action.", "Epidermal growth factor receptor erbB1 inhibitor"], ["What is the molecular weight of this compound's parent molecule?", 581.07], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 2007], ["How many hydrogen bond donors does this compound have?", 2], ["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the polar surface area (PSA) value of this compound?", 106.35], ["How many rotatable bonds does this compound have?", 11], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the calculated ALogP value for this compound?", 6.14], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C52H74N16O15S2"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Please provide a description of this drug's mechanism of action.", "Vasopressin V1 receptor binding agent"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has both."], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the definition of this compound's USAN stem?", "vasoconstrictors (vasopressin derivatives)"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 2022], ["What is the molecular weight of this compound's parent molecule?", 1227.4], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"], ["Please provide a description of this drug's mechanism of action.", "Vasopressin V2 receptor binding agent"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-pressin"]], "CCN1CCC(c2cccc(S(C)(=O)=O)c2F)CC1": [["How many heavy (non-hydrogen) atoms does this compound have?", 19], ["What is the calculated ALogP value for this compound?", 2.43], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 3], ["What is the definition of this compound's USAN stem?", "dopamine D2 receptor modulator"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 37.38], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H20FNO2S"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-dopidine"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Dopamine D2 receptor modulator"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 285.38]], "CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.Cl": [["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular weight of this compound's parent molecule?", 336.48], ["Is it known whether this drug is applied topically?", "Yes"], ["How many aromatic rings does this compound have?", 2], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["What is the calculated ALogP value for this compound?", 4.14], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 23.55], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the first recorded year of approval for this drug?", 2006], ["Please provide a description of this drug's mechanism of action.", "Mu opioid receptor agonist"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H29ClN2O"]], "CS(=O)(=O)N1CCC(c2ccc(-c3ncc4nccnc4c3NC[C@@H]3CNCCO3)cc2)CC1": [["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the polar surface area (PSA) value of this compound?", 109.34], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Tyrosine-protein kinase SYK inhibitor"], ["What is the definition of this compound's USAN stem?", "spleen tyrosine kinase (Syk) inhibitors"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 482.61], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the calculated ALogP value for this compound?", 2.23], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H30N6O3S"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-plenib"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2.Cl": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 31], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H32ClNO7"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the first recorded year of approval for this drug?", 1998], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the molecular weight of this compound's parent molecule?", 433.5], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the calculated ALogP value for this compound?", 2.52], ["How many hydrogen bond donors does this compound have?", 1], ["What is the polar surface area (PSA) value of this compound?", 94.53], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["What is the molecular formula of this compound, including any salt that it may have?", "C34H54Cl2N10O14"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the calculated ALogP value for this compound?", 4.18], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular weight of this compound's parent molecule?", 505.46], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 10], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["How many hydrogen bond donors does this compound have?", 10], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Determine the type of availability for this drug.", "over the counter"], ["What is the polar surface area (PSA) value of this compound?", 167.58], ["Is it known whether this drug is taken orally?", "No"], ["What is the first recorded year of approval for this drug?", 1976], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "Yes"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["Please provide a description of this drug's mechanism of action.", "Cell membrane inhibitor"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cl": [["How many rotatable bonds does this compound have?", 4], ["What is the molecular formula of this compound, including any salt that it may have?", "C29H28ClF3N6O"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 39], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 65.77], ["What is the molecular weight of this compound's parent molecule?", 532.57], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many aromatic rings does this compound have?", 4], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the first recorded year of approval for this drug?", 2012], ["What is the calculated ALogP value for this compound?", 4.46], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Bcr/Abl fusion protein inhibitor"]], "CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1": [["What is the definition of this compound's USAN stem?", "antiasthmatics/antiallergics (not acting primarily as antihistamines): integrin antagonists"], ["What is the polar surface area (PSA) value of this compound?", 133.99], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-ast (-tegrast)"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular weight of this compound's parent molecule?", 615.49], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "Yes"], ["What is the first recorded year of approval for this drug?", 2016], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["Please provide a description of this drug's mechanism of action.", "Integrin alpha-L/beta-2 (LFA-1) antagonist"], ["What is the molecular formula of this compound, including any salt that it may have?", "C29H24Cl2N2O7S"], ["Determine the type of availability for this drug.", "prescription only"], ["How many aromatic rings does this compound have?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 41], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the calculated ALogP value for this compound?", 4.77], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1": [["What is the molecular formula of this compound, including any salt that it may have?", "C27H30N4O4"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-xaban"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 94.14], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the molecular weight of this compound's parent molecule?", 474.56], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["What is the calculated ALogP value for this compound?", 4.05], ["Please provide a description of this drug's mechanism of action.", "Coagulation factor X inhibitor"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many heavy (non-hydrogen) atoms does this compound have?", 35], ["Determine if this compound is a prodrug.", "No"], ["What is the definition of this compound's USAN stem?", "antithrombotics, blood coagulation factor XA inhibitors"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1.O": [["Determine the type of availability for this drug.", "discontinued"], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the calculated ALogP value for this compound?", 0.71], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["What is the definition of this compound's USAN stem?", "antibiotics (carbacephem derivatives)"], ["What is the molecular weight of this compound's parent molecule?", 349.77], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["Please provide a description of this drug's mechanism of action.", "Bacterial penicillin-binding protein inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-carbef"], ["What is the first recorded year of approval for this drug?", 1991], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 112.73], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H18ClN3O5"]], "CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ncco4)c(OCC(=O)O)c3)CC2)cc1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the definition of this compound's USAN stem?", "prostaglandin receptor antagonists, non prostinoid structure"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Prostanoid DP receptor antagonist"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 501.56], ["What is the polar surface area (PSA) value of this compound?", 122.41], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H27N3O7S"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-piprant"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 3.1], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 35], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)[C@@](O)(CC)CC2": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the definition of this compound's USAN stem?", "serine/threonine kinase inhibitors"], ["What is the molecular weight of this compound's parent molecule?", 526.65], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 10], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-sertib"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 39], ["What is the calculated ALogP value for this compound?", 3.2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many aromatic rings does this compound have?", 4], ["What is the molecular formula of this compound, including any salt that it may have?", "C29H34N8O2"], ["What is the polar surface area (PSA) value of this compound?", 104.34], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Serine/threonine-protein kinase WEE1 inhibitor"]], "Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 78.27], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H32N6O"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the calculated ALogP value for this compound?", 3.42], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["What is the molecular weight of this compound's parent molecule?", 432.57], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["Please provide a description of this drug's mechanism of action.", "Smoothened homolog antagonist"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "FC(F)(F)C(Cl)Br": [["How many aromatic rings does this compound have?", 0], ["Determine the type of availability for this drug.", "discontinued"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 0], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C2HBrClF3"], ["What is the polar surface area (PSA) value of this compound?", 0], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Potassium channel subfamily K member 18 opener"], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Potassium channel subfamily K member 10 opener"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 0], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 0], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Potassium channel subfamily K member 2 opener"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 1958], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Please provide a description of this drug's mechanism of action.", "Potassium channel subfamily K member 9 opener"], ["Please provide a description of this drug's mechanism of action.", "GABA-A receptor; anion channel positive allosteric modulator"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 2.51], ["What is the molecular weight of this compound's parent molecule?", 197.38], ["Please provide a description of this drug's mechanism of action.", "Potassium channel subfamily K member 3 opener"], ["Please provide a description of this drug's mechanism of action.", "Glycine receptor (alpha-1/beta) positive modulator"], ["How many heavy (non-hydrogen) atoms does this compound have?", 7], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1ccccc1C(=O)O": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["How many rotatable bonds does this compound have?", 13], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the calculated ALogP value for this compound?", 8.05], ["How many heavy (non-hydrogen) atoms does this compound have?", 40], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "Peroxisome proliferator-activated receptor gamma agonist"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular formula of this compound, including any salt that it may have?", "C33H33FO6"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["What is the molecular weight of this compound's parent molecule?", 544.62], ["Please provide a description of this drug's mechanism of action.", "Leukotriene B4 receptor 1 antagonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many aromatic rings does this compound have?", 4], ["What is the polar surface area (PSA) value of this compound?", 85.22], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-estr-; -estrant"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the first recorded year of approval for this drug?", 2002], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the definition of this compound's USAN stem?", "estrogens; estrogen antagonists"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C32H47F5O3S"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 606.78], ["What is the calculated ALogP value for this compound?", 8.68], ["How many heavy (non-hydrogen) atoms does this compound have?", 41], ["How many rotatable bonds does this compound have?", 14], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 63.52], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Please provide a description of this drug's mechanism of action.", "Estrogen receptor antagonist"]], "CC(=O)Nc1ccc(O)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["What is the calculated ALogP value for this compound?", 3.39], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 94.06], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Please provide a description of this drug's mechanism of action.", "C-C chemokine receptor type 1 antagonist"], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H32ClN3O4"], ["What is the molecular weight of this compound's parent molecule?", 461.99], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the calculated ALogP value for this compound?", 1.78], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the first recorded year of approval for this drug?", 1999], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Catechol O-methyltransferase inhibitor"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-capone"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the definition of this compound's USAN stem?", "catechol-O-methyltransferase (COMT) inhibitors"], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H15N3O5"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 127.7], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 305.29], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 5], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 22]], "CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](COP(=O)(O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the molecular formula of this compound, including any salt that it may have?", "C119H185N34O34PS"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-imod"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has both."], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Heat shock cognate 71 kDa protein inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["What is the definition of this compound's USAN stem?", "immunomodulators"], ["What is the molecular weight of this compound's parent molecule?", 2638.98], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"]], "C#CC(O)(/C=C/Cl)CC": [["How many aromatic rings does this compound have?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C7H9ClO"], ["Determine the type of availability for this drug.", "discontinued"], ["How many hydrogen bond acceptors does this compound have?", 1], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 20.23], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["How many heavy (non-hydrogen) atoms does this compound have?", 9], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the calculated ALogP value for this compound?", 1.51], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 1961], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the molecular weight of this compound's parent molecule?", 144.6], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 2], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 1], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "GABA-A receptor; anion channel positive modulator"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO": [["What is the polar surface area (PSA) value of this compound?", 95.5], ["What is the definition of this compound's USAN stem?", "enzyme inhibitors: histone deacetylase inhibitors"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Histone deacetylase inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Is it known whether this drug is administered parenterally?", "Yes"], ["What is the first recorded year of approval for this drug?", 2014], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 318.35], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the molecular formula of this compound, including any salt that it may have?", "C15H14N2O4S"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 5], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 2.01], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-stat (-inostat)"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 22]], "Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1": [["What is the calculated ALogP value for this compound?", 3.05], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H21N3O"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular weight of this compound's parent molecule?", 319.41], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["What is the definition of this compound's USAN stem?", "muscarinic receptor antagonists"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-fenacin"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Please provide a description of this drug's mechanism of action.", "Muscarinic acetylcholine receptor M3 antagonist"], ["What is the polar surface area (PSA) value of this compound?", 60.91], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the first recorded year of approval for this drug?", 1996], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-oxacin"], ["Please provide a description of this drug's mechanism of action.", "DNA gyrase inhibitor"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 361.37], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 75.01], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 26], ["What is the definition of this compound's USAN stem?", "antibacterials (quinolone derivatives)"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H20FN3O4"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Topoisomerase IV inhibitor"], ["What is the calculated ALogP value for this compound?", 1.54]], "O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[K+]": [["How many heavy (non-hydrogen) atoms does this compound have?", 19], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H10Cl2KNO2"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the first recorded year of approval for this drug?", 1993], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Cyclooxygenase inhibitor"], ["What is the calculated ALogP value for this compound?", 4.36], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-ac"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 296.15], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the definition of this compound's USAN stem?", "anti-inflammatory agents (acetic acid derivatives)"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["What is the polar surface area (PSA) value of this compound?", 49.33], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "NC(=O)c1cccc([C@H]2C[C@H]3CC[C@@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)CO)c1": [["What is the molecular weight of this compound's parent molecule?", 457.62], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the definition of this compound's USAN stem?", "opioid receptor antagonists"], ["What is the polar surface area (PSA) value of this compound?", 107.1], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["How many heavy (non-hydrogen) atoms does this compound have?", 33], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Please provide a description of this drug's mechanism of action.", "Mu opioid receptor antagonist"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C26H39N3O4"], ["What is the calculated ALogP value for this compound?", 2.26], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-opran"]], "c1ccc2[nH]c(-c3cscn3)nc2c1": [["How many rotatable bonds does this compound have?", 1], ["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the definition of this compound's USAN stem?", "antithelmintics (tibendazole type)"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["What is the polar surface area (PSA) value of this compound?", 41.57], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-bendazole"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Tubulin inhibitor"], ["What is the molecular formula of this compound, including any salt that it may have?", "C10H7N3S"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the first recorded year of approval for this drug?", 1967], ["How many heavy (non-hydrogen) atoms does this compound have?", 14], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the molecular weight of this compound's parent molecule?", 201.25], ["What is the calculated ALogP value for this compound?", 2.69], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.Cl.Cl.O": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 31], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Hepatocyte growth factor receptor inhibitor"], ["What is the first recorded year of approval for this drug?", 2020], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many aromatic rings does this compound have?", 5], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H21Cl2FN6O2"], ["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the calculated ALogP value for this compound?", 3.43], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 412.43], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 85.07]], "COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO": [["What is the molecular formula of this compound, including any salt that it may have?", "C25H31N5O4"], ["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the polar surface area (PSA) value of this compound?", 93.07], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 9], ["What is the calculated ALogP value for this compound?", 2.64], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["What is the molecular weight of this compound's parent molecule?", 465.55], ["Please provide a description of this drug's mechanism of action.", "Serine/threonine-protein kinase mTOR inhibitor"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1": [["What is the calculated ALogP value for this compound?", 6.74], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Lysophosphatidic acid receptor Edg-2 antagonist"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the polar surface area (PSA) value of this compound?", 101.66], ["How many heavy (non-hydrogen) atoms does this compound have?", 36], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 482.54], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many aromatic rings does this compound have?", 4], ["What is the molecular formula of this compound, including any salt that it may have?", "C29H26N2O5"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.O=P(O)(O)O": [["How many rotatable bonds does this compound have?", 10], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["What is the calculated ALogP value for this compound?", 3.74], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 406.48], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the definition of this compound's USAN stem?", "vasodilators (undefined group)"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-dil-"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the polar surface area (PSA) value of this compound?", 75.74], ["Determine the type of availability for this drug.", "prescription only"], ["How many aromatic rings does this compound have?", 4], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["Please provide a description of this drug's mechanism of action.", "Adrenergic receptor alpha-1 antagonist"], ["Please provide a description of this drug's mechanism of action.", "Adrenergic receptor beta antagonist"], ["What is the first recorded year of approval for this drug?", 2006], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H29N2O8P"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N": [["How many rotatable bonds does this compound have?", 10], ["What is the calculated ALogP value for this compound?", 2.5], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Please provide a description of this drug's mechanism of action.", "Supplement"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C17H26N4O3S2"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the molecular weight of this compound's parent molecule?", 398.55], ["How many heavy (non-hydrogen) atoms does this compound have?", 26], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 101.57], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the molecular weight of this compound's parent molecule?", 392.41], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H20N2O5"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many rotatable bonds does this compound have?", 2], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the polar surface area (PSA) value of this compound?", 101.65], ["Please provide a description of this drug's mechanism of action.", "DNA topoisomerase I inhibitor"], ["What is the calculated ALogP value for this compound?", 2.35], ["How many aromatic rings does this compound have?", 3]], "NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the molecular weight of this compound's parent molecule?", 349.48], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H27N5"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the definition of this compound's USAN stem?", "CXCR receptor antagonists"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Please provide a description of this drug's mechanism of action.", "C-X-C chemokine receptor type 4 antagonist"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 26], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 3.58], ["What is the polar surface area (PSA) value of this compound?", 70.83], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-ixafor"]], "N[C@@H](CC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1)C(=O)O": [["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 12], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 7], ["Please provide a description of this drug's mechanism of action.", "DNA disrupting agent"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond acceptors does this compound have?", 10], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "DNA polymerase (alpha/delta/epsilon) inhibitor"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many hydrogen bond donors does this compound have?", 6], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the molecular weight of this compound's parent molecule?", 358.31], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C13H18N4O8"], ["What is the calculated ALogP value for this compound?", -3.4], ["Is this compound an acid, a base, or neutral?", "ACID"], ["What is the polar surface area (PSA) value of this compound?", 197.23], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Please provide a description of this drug's mechanism of action.", "RNA disrupting agent"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-arabine"], ["What is the definition of this compound's USAN stem?", "antineoplastics (arabinofuranosyl derivatives)"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cnccn5)n4)c3)cc(C(F)(F)F)c2)cn1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["What is the molecular formula of this compound, including any salt that it may have?", "C27H21F3N8O"], ["What is the calculated ALogP value for this compound?", 5.75], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the polar surface area (PSA) value of this compound?", 110.51], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many aromatic rings does this compound have?", 5], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 39], ["What is the molecular weight of this compound's parent molecule?", 530.51], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Bcr/Abl fusion protein inhibitor"]], "C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1": [["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the polar surface area (PSA) value of this compound?", 54.18], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 2014], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the calculated ALogP value for this compound?", 2.48], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Please provide a description of this drug's mechanism of action.", "Lanosterol 14-alpha demethylase inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the definition of this compound's USAN stem?", "systemic antifungals (miconazole type); Fc fusion protein"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 348.4], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H22F2N4O"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 5], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-conazole; ef-"]], "CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1.Cl": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many heavy (non-hydrogen) atoms does this compound have?", 37], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 510.63], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["How many rotatable bonds does this compound have?", 12], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the calculated ALogP value for this compound?", 4.69], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["What is the molecular formula of this compound, including any salt that it may have?", "C29H39ClN2O6"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the definition of this compound's USAN stem?", "endothelin receptor antagonists"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Please provide a description of this drug's mechanism of action.", "Endothelin receptor ET-A antagonist"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-entan"], ["What is the polar surface area (PSA) value of this compound?", 88.54], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Please provide a description of this drug's mechanism of action.", "C-X-C chemokine receptor type 4 antagonist"], ["What is the molecular weight of this compound's parent molecule?", 1927.29], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has both."], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C86H147N27O23"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"]], "Cc1cccc(Oc2cnc(=O)[nH]c2)c1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["What is the calculated ALogP value for this compound?", 1.87], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 54.98], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the molecular weight of this compound's parent molecule?", 202.21], ["How many heavy (non-hydrogen) atoms does this compound have?", 15], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["What is the molecular formula of this compound, including any salt that it may have?", "C11H10N2O2"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 2], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["Please provide a description of this drug's mechanism of action.", "Tyrosine-protein kinase Lyn positive allosteric modulator"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F": [["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["What is the definition of this compound's USAN stem?", "nucleoside antiviral or antineoplastic agents, cytarabine or azarabine derivatives"], ["What is the molecular weight of this compound's parent molecule?", 359.35], ["Please provide a description of this drug's mechanism of action.", "Thymidylate synthase inhibitor"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-citabine"], ["What is the molecular formula of this compound, including any salt that it may have?", "C15H22FN3O6"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "DNA inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "RNA inhibitor"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the first recorded year of approval for this drug?", 1998], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the polar surface area (PSA) value of this compound?", 122.91], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["What is the calculated ALogP value for this compound?", 0.76], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3ccncc32)cc2cc(Cl)ccc21": [["What is the molecular weight of this compound's parent molecule?", 500.93], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many rotatable bonds does this compound have?", 7], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-vir (-atovir)"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many hydrogen bond donors does this compound have?", 0], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Please provide a description of this drug's mechanism of action.", "Fusion glycoprotein F0 inhibitor"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the polar surface area (PSA) value of this compound?", 78.89], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 33], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 3.85], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many aromatic rings does this compound have?", 4], ["What is the definition of this compound's USAN stem?", "antivirals: respiratory syncytial virus (RSV) fusion inhibitors"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H20ClF3N4O3S"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 12], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the definition of this compound's USAN stem?", "vinca alkaloids"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 4.75], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Please provide a description of this drug's mechanism of action.", "Tubulin inhibitor"], ["How many heavy (non-hydrogen) atoms does this compound have?", 57], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "vin-"], ["What is the molecular weight of this compound's parent molecule?", 778.95], ["Is this compound an acid, a base, or neutral?", "BASE"], ["What is the polar surface area (PSA) value of this compound?", 133.87], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the first recorded year of approval for this drug?", 1994], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 11], ["What is the molecular formula of this compound, including any salt that it may have?", "C53H66N4O20"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["What is the polar surface area (PSA) value of this compound?", 30.19], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "Metabotropic glutamate receptor 5 modulator"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-glurant"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the definition of this compound's USAN stem?", "metabotropic glutamate receptor antagonists, negative allosteric modulators"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 20], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the molecular weight of this compound's parent molecule?", 265.29], ["How many rotatable bonds does this compound have?", 2], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H12FN3"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the calculated ALogP value for this compound?", 2.85], ["How many aromatic rings does this compound have?", 3]], "COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1": [["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the polar surface area (PSA) value of this compound?", 110.76], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-xaban"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 5], ["Please provide a description of this drug's mechanism of action.", "Coagulation factor X inhibitor"], ["What is the molecular weight of this compound's parent molecule?", 459.51], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H25N5O4"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the calculated ALogP value for this compound?", 2.7], ["What is the first recorded year of approval for this drug?", 2012], ["How many hydrogen bond donors does this compound have?", 1], ["What is the definition of this compound's USAN stem?", "antithrombotics, blood coagulation factor XA inhibitors"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "COC[C@]1(OC)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(/C=N/O)cc3)C[C@@]21C": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the polar surface area (PSA) value of this compound?", 68.12], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the definition of this compound's USAN stem?", "steriodal compounds acting on progesterone receptors (excluding-gest- compounds); selective progesterone receptor modulators (SPRM)"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the molecular weight of this compound's parent molecule?", 449.59], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 33], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-pris-; -prisnil"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C28H35NO4"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["What is the calculated ALogP value for this compound?", 5.43], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many hydrogen bond donors does this compound have?", 1], ["Please provide a description of this drug's mechanism of action.", "Progesterone receptor modulator"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Heat-stable enterotoxin receptor agonist"], ["What is the definition of this compound's USAN stem?", "peptides"], ["What is the first recorded year of approval for this drug?", 2017], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has both."], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 1681.91], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tide"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C65H104N18O26S4"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"]], "C[N+](C)(C)CC(=O)O.[Cl-]": [["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors does this compound have?", 1], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 37.3], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular weight of this compound's parent molecule?", 118.16], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the calculated ALogP value for this compound?", -0.22], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 8], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many rotatable bonds does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C5H12ClNO2"], ["Please provide a description of this drug's mechanism of action.", "Betaine-homocysteine S-methyltransferase substrate"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCCCCCCCN1CCc2c(C)c(CC(=O)O)c(C)c(NC(=O)C(C)(C)C)c21": [["How many rotatable bonds does this compound have?", 10], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the calculated ALogP value for this compound?", 5.64], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-imibe"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the polar surface area (PSA) value of this compound?", 69.64], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Please provide a description of this drug's mechanism of action.", "Acyl coenzyme A:cholesterol acyltransferase 2 inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Please provide a description of this drug's mechanism of action.", "Acyl coenzyme A:cholesterol acyltransferase 1 inhibitor"], ["What is the definition of this compound's USAN stem?", "antihyperlipidaemics, acyl CoA: cholesterol acyltransferase (ACAT) inhibitors"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the molecular weight of this compound's parent molecule?", 416.61], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H40N2O3"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21": [["Please provide a description of this drug's mechanism of action.", "Dopamine D2 receptor agonist"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["How many rotatable bonds does this compound have?", 7], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many heavy (non-hydrogen) atoms does this compound have?", 27], ["What is the polar surface area (PSA) value of this compound?", 72.88], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 2.14], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H33N3O3S"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 395.57], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1.[Na+]": [["Determine the type of availability for this drug.", "discontinued"], ["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 423.47], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the polar surface area (PSA) value of this compound?", 125.9], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C17H16N3NaO6S2"], ["What is the first recorded year of approval for this drug?", 1974], ["Please provide a description of this drug's mechanism of action.", "Bacterial penicillin-binding protein inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the calculated ALogP value for this compound?", 0.48]], "CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O.OCCNCCO": [["What is the polar surface area (PSA) value of this compound?", 86.99], ["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["How many rotatable bonds does this compound have?", 10], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 2013], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C27H45NO7"], ["Determine the type of availability for this drug.", "prescription only"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-prost-"], ["What is the definition of this compound's USAN stem?", "prostaglandins"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 3.58], ["Please provide a description of this drug's mechanism of action.", "Prostanoid IP receptor agonist"], ["What is the molecular weight of this compound's parent molecule?", 390.52], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C[C@H](N)Cc1ccccc1.O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O": [["What is the molecular formula of this compound, including any salt that it may have?", "C15H23NO8"], ["What is the polar surface area (PSA) value of this compound?", 26.02], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors does this compound have?", 1], ["Please provide a description of this drug's mechanism of action.", "Dopamine transporter releasing agent"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the first recorded year of approval for this drug?", 1996], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 135.21], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Please provide a description of this drug's mechanism of action.", "Norepinephrine transporter releasing agent"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the calculated ALogP value for this compound?", 1.58], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 1], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Please provide a description of this drug's mechanism of action.", "Synaptic vesicular amine transporter inhibitor"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 10]], "O=C([O-])C(Cl)Cl.[Na+]": [["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C2HCl2NaO2"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Unknown chirality"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the molecular weight of this compound's parent molecule?", 150.92], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Pyruvate dehydrogenase kinase inhibitor"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1.Cl": [["Determine the type of availability for this drug.", "discontinued"], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many heavy (non-hydrogen) atoms does this compound have?", 31], ["What is the definition of this compound's USAN stem?", "antihistaminics (histamine-H1 receptor antagonists)"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C26H30ClFN2O2"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["What is the first recorded year of approval for this drug?", 1993], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Please provide a description of this drug's mechanism of action.", "Histamine H1 receptor antagonist"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the calculated ALogP value for this compound?", 4.89], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-astine"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the molecular weight of this compound's parent molecule?", 420.53], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is this compound an acid, a base, or neutral?", "ZWITTERION"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 64.33], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O": [["Please provide a description of this drug's mechanism of action.", "Sodium/potassium-transporting ATPase inhibitor"], ["How many aromatic rings does this compound have?", 0], ["What is the first recorded year of approval for this drug?", 1975], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the molecular weight of this compound's parent molecule?", 780.95], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 3], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 55], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the definition of this compound's USAN stem?", "fluoroquinolone derivatives, nonantibacterial indication (e.g., antineoplastic antibiotics)"], ["How many hydrogen bond donors does this compound have?", 6], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-oxin"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 14], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 6], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 2.22], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 3], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the molecular formula of this compound, including any salt that it may have?", "C41H64O14"], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 203.06], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 14], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H32O3"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Estrogen receptor alpha agonist"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 356.51], ["What is the first recorded year of approval for this drug?", 2010], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 5.35], ["Which USAN substem can this drug or clinical candidate name be matched with?", "estr-"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the definition of this compound's USAN stem?", "estrogens"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the polar surface area (PSA) value of this compound?", 46.53], ["How many heavy (non-hydrogen) atoms does this compound have?", 26], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "Cc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1": [["What is the molecular formula of this compound, including any salt that it may have?", "C15H13FN2"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["What is the polar surface area (PSA) value of this compound?", 38.91], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "Metabotropic glutamate receptor 5 modulator"], ["What is the calculated ALogP value for this compound?", 2.82], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-glurant"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 18], ["How many rotatable bonds does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the definition of this compound's USAN stem?", "metabotropic glutamate receptor antagonists, negative allosteric modulators"], ["What is the molecular weight of this compound's parent molecule?", 240.28], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12": [["How many rotatable bonds does this compound have?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H19F2N3O4S"], ["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-vir"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the definition of this compound's USAN stem?", "antivirals"], ["What is the molecular weight of this compound's parent molecule?", 483.5], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the calculated ALogP value for this compound?", 2.98], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 75.01], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Please provide a description of this drug's mechanism of action.", "Polymerase acidic protein inhibitor"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "MAP kinase p38 alpha inhibitor"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the definition of this compound's USAN stem?", "immunomodulators: mitogen-activated protein (MAP) kinase inhibitors"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 5.99], ["How many heavy (non-hydrogen) atoms does this compound have?", 39], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many aromatic rings does this compound have?", 4], ["What is the polar surface area (PSA) value of this compound?", 80.65], ["What is the molecular formula of this compound, including any salt that it may have?", "C31H37N5O3"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-imod (-mapimod)"], ["What is the molecular weight of this compound's parent molecule?", 527.67], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "c1ccc2nc3ccccc3cc2c1": [["What is the polar surface area (PSA) value of this compound?", 12.89], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["How many hydrogen bond acceptors does this compound have?", 1], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "DNA disrupting agent"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the calculated ALogP value for this compound?", 3.39], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many rotatable bonds does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the molecular weight of this compound's parent molecule?", 179.22], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C13H9N"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 14], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 1], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl": [["What is the calculated ALogP value for this compound?", 2.43], ["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-afil (denafil)"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 2011], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular weight of this compound's parent molecule?", 483.96], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H26ClN7O3"], ["How many hydrogen bond acceptors does this compound have?", 9], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Please provide a description of this drug's mechanism of action.", "Phosphodiesterase 5A inhibitor"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["What is the definition of this compound's USAN stem?", "phosphodiesterase type 5 inhibitors (PDE5) inhibitors: (PDE5) inhibitors containing a sulfonamide moiety"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 125.39], ["How many aromatic rings does this compound have?", 3]], "CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the calculated ALogP value for this compound?", 8.12], ["How many heavy (non-hydrogen) atoms does this compound have?", 37], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular weight of this compound's parent molecule?", 530.12], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["What is the definition of this compound's USAN stem?", "antipsychotics (haloperidol type)"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many hydrogen bond donors does this compound have?", 0], ["What is the polar surface area (PSA) value of this compound?", 46.61], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the first recorded year of approval for this drug?", 1986], ["How many rotatable bonds does this compound have?", 15], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Please provide a description of this drug's mechanism of action.", "Serotonin 2a (5-HT2a) receptor antagonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "D2-like dopamine receptor inverse agonist"], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the molecular formula of this compound, including any salt that it may have?", "C31H41ClFNO3"], ["Determine the type of availability for this drug.", "prescription only"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-peridol (-peridol)"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1.Cl.O": [["What is the polar surface area (PSA) value of this compound?", 96.93], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many rotatable bonds does this compound have?", 7], ["How many heavy (non-hydrogen) atoms does this compound have?", 37], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the calculated ALogP value for this compound?", 4.01], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Hepatocyte growth factor receptor inhibitor"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many hydrogen bond donors does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C29H31ClN6O3"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 492.58], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors"], ["Determine the type of availability for this drug.", "prescription only"], ["How many aromatic rings does this compound have?", 4], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the first recorded year of approval for this drug?", 2021]], "N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12": [["What is the polar surface area (PSA) value of this compound?", 63.13], ["How many rotatable bonds does this compound have?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the molecular weight of this compound's parent molecule?", 376.44], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-anserin"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H21FN4O"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Serotonin 2a (5-HT2a) receptor antagonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the definition of this compound's USAN stem?", "serotonin 5-HT2 receptor antagonists"], ["What is the calculated ALogP value for this compound?", 3.18], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O": [["What is the polar surface area (PSA) value of this compound?", 86.99], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular weight of this compound's parent molecule?", 398.5], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the calculated ALogP value for this compound?", 3.29], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-prost"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["How many rotatable bonds does this compound have?", 8], ["What is the definition of this compound's USAN stem?", "prostaglandins"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Prostanoid IP receptor agonist"], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H30O5"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1": [["Please provide a description of this drug's mechanism of action.", "Serine/threonine-protein kinase Aurora inhibitor"], ["What is the polar surface area (PSA) value of this compound?", 91.83], ["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular weight of this compound's parent molecule?", 430.95], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H15ClN6OS2"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["What is the calculated ALogP value for this compound?", 5.1], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many aromatic rings does this compound have?", 4], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@H]1O": [["How many aromatic rings does this compound have?", 0], ["Please provide a description of this drug's mechanism of action.", "Vitamin D receptor agonist"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular weight of this compound's parent molecule?", 416.65], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C27H44O3"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 6], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["What is the polar surface area (PSA) value of this compound?", 60.69], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the calculated ALogP value for this compound?", 5.7], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23": [["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the first recorded year of approval for this drug?", 1990], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Please provide a description of this drug's mechanism of action.", "Bacterial DNA gyrase inhibitor"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-oxacin"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 361.37], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 75.01], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 26], ["What is the definition of this compound's USAN stem?", "antibacterials (quinolone derivatives)"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H20FN3O4"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the calculated ALogP value for this compound?", 1.54]], "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-vir"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the definition of this compound's USAN stem?", "antivirals"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the polar surface area (PSA) value of this compound?", 54.7], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["How many hydrogen bond acceptors does this compound have?", 6], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H25BrN2O3S"], ["Please provide a description of this drug's mechanism of action.", "Hemagglutinin negative modulator"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["What is the calculated ALogP value for this compound?", 5.18], ["Is this compound an acid, a base, or neutral?", "ZWITTERION"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 477.42], ["How many aromatic rings does this compound have?", 3]], "CCCn1c(=O)c2nc(C34CC5CC(CC3C5)C4)[nH]c2n(CCC)c1=O": [["What is the definition of this compound's USAN stem?", "theophylline derivatives"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-fylline"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular weight of this compound's parent molecule?", 356.47], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H28N4O2"], ["What is the calculated ALogP value for this compound?", 2.78], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["How many heavy (non-hydrogen) atoms does this compound have?", 26], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the polar surface area (PSA) value of this compound?", 72.68], ["Please provide a description of this drug's mechanism of action.", "Adenosine A1 receptor antagonist"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["What is the calculated ALogP value for this compound?", 5.44], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 507.59], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["What is the molecular formula of this compound, including any salt that it may have?", "C32H29NO5"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Angiotensin II type 2 (AT-2) receptor antagonist"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many aromatic rings does this compound have?", 4], ["How many rotatable bonds does this compound have?", 8], ["How many heavy (non-hydrogen) atoms does this compound have?", 38], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 76.07]], "N=C(N)NCc1cccc([131I])c1": [["What is the molecular formula of this compound, including any salt that it may have?", "C8H10IN3"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "io-"], ["What is the definition of this compound's USAN stem?", "iodine-containing contrast media"], ["How many hydrogen bond acceptors does this compound have?", 1], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["What is the calculated ALogP value for this compound?", 1.27], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Is it known whether this drug is administered parenterally?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 61.9], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the molecular weight of this compound's parent molecule?", 275.09], ["How many heavy (non-hydrogen) atoms does this compound have?", 12], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Norepinephrine transporter substrate"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the first recorded year of approval for this drug?", 2018], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 21], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the polar surface area (PSA) value of this compound?", 38.33], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H9ClF3NO2"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the first recorded year of approval for this drug?", 1998], ["Please provide a description of this drug's mechanism of action.", "Human immunodeficiency virus type 1 reverse transcriptase inhibitor"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "ef-; -vir- (-virenz)"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the definition of this compound's USAN stem?", "Fc fusion protein; antivirals: non-nucleoside reverse transcriptase inhibitors; benzoxazinone derivatives"], ["What is the molecular weight of this compound's parent molecule?", 315.68], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 4.07], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H19NO4"], ["What is the molecular weight of this compound's parent molecule?", 361.4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 27], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 4.11], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the first recorded year of approval for this drug?", 2004], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 5], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["Please provide a description of this drug's mechanism of action.", "Unknown"], ["What is the polar surface area (PSA) value of this compound?", 65.49], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["How many rotatable bonds does this compound have?", 7], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the calculated ALogP value for this compound?", 5.5], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H20Cl2N4O2S"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the definition of this compound's USAN stem?", "antivirals: non-nucleoside reverse transcriptase inhibitors, not benzoxazinone derivatives"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Please provide a description of this drug's mechanism of action.", "Human immunodeficiency virus type 1 reverse transcriptase inhibitor"], ["What is the polar surface area (PSA) value of this compound?", 83.03], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 451.38], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-vir- (-virine)"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.O=C(O)C(O)C(O)C(=O)O": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 43], ["Please provide a description of this drug's mechanism of action.", "Serotonin 1d (5-HT1d) receptor agonist"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular weight of this compound's parent molecule?", 581.67], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is it known whether this drug is applied topically?", "Yes"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is there a black box warning associated with this drug?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Adrenergic receptor alpha agonist"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 1.99], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C70H76N10O16"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the first recorded year of approval for this drug?", 1948], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 118.21], ["How many aromatic rings does this compound have?", 3]], "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["How many aromatic rings does this compound have?", 0], ["How many rotatable bonds does this compound have?", 10], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C40H52O4"], ["What is the polar surface area (PSA) value of this compound?", 74.6], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the molecular weight of this compound's parent molecule?", 596.85], ["What is the calculated ALogP value for this compound?", 8.91], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 44], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Antioxidant, anti-inflammatory and antiapoptotic activities"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O": [["How many heavy (non-hydrogen) atoms does this compound have?", 19], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["What is the molecular weight of this compound's parent molecule?", 267.25], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the first recorded year of approval for this drug?", 1989], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 9], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C10H13N5O4"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["What is the polar surface area (PSA) value of this compound?", 139.54], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Adenosine receptor agonist"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 5], ["What is the calculated ALogP value for this compound?", -1.98], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many heavy (non-hydrogen) atoms does this compound have?", 37], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Please provide a description of this drug's mechanism of action.", "26S proteosome inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 11], ["What is the molecular weight of this compound's parent molecule?", 532.62], ["How many hydrogen bond acceptors does this compound have?", 9], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["What is the definition of this compound's USAN stem?", "proteozome inhibitors"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the polar surface area (PSA) value of this compound?", 148.25], ["How many rotatable bonds does this compound have?", 14], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 0.41], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H32N4O7S"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-zomib"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O": [["What is the polar surface area (PSA) value of this compound?", 103.78], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Dopamine D3 receptor agonist"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the definition of this compound's USAN stem?", "dopamine receptor agonists"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-dopa"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the calculated ALogP value for this compound?", 0.05], ["How many heavy (non-hydrogen) atoms does this compound have?", 14], ["How many aromatic rings does this compound have?", 1], ["What is the first recorded year of approval for this drug?", 1970], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "ZWITTERION"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C9H11NO4"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 5], ["What is the molecular weight of this compound's parent molecule?", 197.19], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "[13NH3]": [["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors does this compound have?", 1], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "H3N"], ["How many rotatable bonds does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["Please provide a description of this drug's mechanism of action.", "Diagnostic agent"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 2007], ["What is the molecular weight of this compound's parent molecule?", 17.03], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the polar surface area (PSA) value of this compound?", 35], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 0.16], ["How many heavy (non-hydrogen) atoms does this compound have?", 1], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-delpar"], ["What is the polar surface area (PSA) value of this compound?", 64.99], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H23F3O5S"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["What is the molecular weight of this compound's parent molecule?", 444.47], ["What is the calculated ALogP value for this compound?", 5.05], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the definition of this compound's USAN stem?", "PPAR delta receptor agonists"], ["Please provide a description of this drug's mechanism of action.", "Peroxisome proliferator-activated receptor delta agonist"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["How many rotatable bonds does this compound have?", 11], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O": [["Please provide a description of this drug's mechanism of action.", "Oxytocin receptor agonist"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular weight of this compound's parent molecule?", 1007.21], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has both."], ["Is it known whether this drug is applied topically?", "Yes"], ["What is the definition of this compound's USAN stem?", "oxytocin derivatives"], ["What is the first recorded year of approval for this drug?", 1980], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C43H66N12O12S2"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tocin"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"]], "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C": [["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the calculated ALogP value for this compound?", 3.49], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular weight of this compound's parent molecule?", 418.51], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the polar surface area (PSA) value of this compound?", 80.67], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the first recorded year of approval for this drug?", 1986], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H31FO5"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-olone"], ["Please provide a description of this drug's mechanism of action.", "Glucocorticoid receptor agonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the definition of this compound's USAN stem?", "steroids (not prednisolone derivatives)"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1": [["What is the molecular weight of this compound's parent molecule?", 468.48], ["How many rotatable bonds does this compound have?", 10], ["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H23F3N4O2"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the polar surface area (PSA) value of this compound?", 65.97], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Receptor protein-tyrosine kinase erbB-2 inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["Is it known whether this drug is taken orally?", "No"], ["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many aromatic rings does this compound have?", 4], ["What is the calculated ALogP value for this compound?", 6.06], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cn1cc(C2=Nc3cc(NC(=O)C(N)C4CCCCC4)cc4c3C2=CNNC4=O)cn1": [["How many rotatable bonds does this compound have?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 31], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 126.43], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H25N7O2"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["What is the calculated ALogP value for this compound?", 1.99], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the molecular weight of this compound's parent molecule?", 419.49], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 5], ["Please provide a description of this drug's mechanism of action.", "Serine/threonine-protein kinase Chk1 inhibitor"], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(=O)OC/C=C(C)/C=C/C=C(C)\\C=C\\C1=C(C)CCCC1(C)C": [["How many aromatic rings does this compound have?", 0], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-retin-"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular weight of this compound's parent molecule?", 328.5], ["Please provide a description of this drug's mechanism of action.", "Molecule (9-cis-retinol) replacement"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["What is the polar surface area (PSA) value of this compound?", 26.3], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the definition of this compound's USAN stem?", "retinol derivatives"], ["How many hydrogen bond acceptors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H32O2"], ["What is the calculated ALogP value for this compound?", 6.08], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]": [["Please provide a description of this drug's mechanism of action.", "Glutamate [NMDA] receptor antagonist"], ["How many aromatic rings does this compound have?", 0], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular weight of this compound's parent molecule?", 181.21], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular formula of this compound, including any salt that it may have?", "C10H20CaN2O8S2"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["What is the polar surface area (PSA) value of this compound?", 83.47], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the first recorded year of approval for this drug?", 2004], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 11], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Please provide a description of this drug's mechanism of action.", "GABA-A receptor; anion channel positive modulator"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the calculated ALogP value for this compound?", -0.6]], "N#Cc1ccc(N2C[C@H](N)C[C@H](C(F)(F)F)C2)c2cccnc12": [["How many rotatable bonds does this compound have?", 1], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the calculated ALogP value for this compound?", 2.82], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-toran"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the definition of this compound's USAN stem?", "toll-like receptor antagonists"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 320.32], ["Please provide a description of this drug's mechanism of action.", "Toll-like receptor 8 antagonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H15F3N4"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 23], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["What is the polar surface area (PSA) value of this compound?", 65.94], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Please provide a description of this drug's mechanism of action.", "Toll-like receptor 7 antagonist"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1.[Na+].[Na+].[Na+].[Na+]": [["Does this compound satisfy the rule-of-three criteria?", "No"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-fos-"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 3], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 10], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many hydrogen bond donors does this compound have?", 9], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 48], ["What is the polar surface area (PSA) value of this compound?", 390.27], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 26], ["What is the definition of this compound's USAN stem?", "phosphoro-derivatives"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond acceptors does this compound have?", 21], ["What is the molecular weight of this compound's parent molecule?", 773.32], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 3], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["What is the calculated ALogP value for this compound?", -2.87], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H23N5Na4O21P4"], ["How many rotatable bonds does this compound have?", 14], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Purinergic receptor P2Y2 agonist"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl.O.O": [["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Please provide a description of this drug's mechanism of action.", "Serotonin 3a (5-HT3a) receptor antagonist"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["What is the calculated ALogP value for this compound?", 3.13], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["What is the definition of this compound's USAN stem?", "serotonin 5-HT3 receptor antagonists"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["What is the first recorded year of approval for this drug?", 1991], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 39.82], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 293.37], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-setron"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H24ClN3O3"], ["How many heavy (non-hydrogen) atoms does this compound have?", 22], ["How many aromatic rings does this compound have?", 3]], "C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1": [["What is the calculated ALogP value for this compound?", 3.05], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many heavy (non-hydrogen) atoms does this compound have?", 31], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the first recorded year of approval for this drug?", 2008], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the polar surface area (PSA) value of this compound?", 89.87], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 424.54], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Determine the type of availability for this drug.", "prescription only"], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H32N2O4"], ["How many rotatable bonds does this compound have?", 8], ["Is this compound an acid, a base, or neutral?", "ZWITTERION"], ["Please provide a description of this drug's mechanism of action.", "Mu opioid receptor antagonist"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Na+]": [["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many heavy (non-hydrogen) atoms does this compound have?", 31], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-stat- (-statin)"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 2017], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["What is the polar surface area (PSA) value of this compound?", 90.65], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "HMG-CoA reductase inhibitor"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the definition of this compound's USAN stem?", "enzyme inhibitors: antihyperlipidemics (HMG-CoA inhibitors)"], ["How many rotatable bonds does this compound have?", 8], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 4.52], ["What is the molecular weight of this compound's parent molecule?", 421.47], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H23FNNaO4"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular formula of this compound, including any salt that it may have?", "C34H50O7"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the polar surface area (PSA) value of this compound?", 117.97], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-olone"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the definition of this compound's USAN stem?", "steroids (not prednisolone derivatives)"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Please provide a description of this drug's mechanism of action.", "11-beta-hydroxysteroid dehydrogenase inhibitor"], ["How many rotatable bonds does this compound have?", 5], ["How many heavy (non-hydrogen) atoms does this compound have?", 41], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the calculated ALogP value for this compound?", 6.83], ["What is the molecular weight of this compound's parent molecule?", 570.77], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many heavy (non-hydrogen) atoms does this compound have?", 37], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the definition of this compound's USAN stem?", "systemic antifungals (miconazole type)"], ["How many hydrogen bond acceptors does this compound have?", 7], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 85.95], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H16F7N5O2"], ["Please provide a description of this drug's mechanism of action.", "Lanosterol 14-alpha demethylase inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 2022], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many aromatic rings does this compound have?", 4], ["How many rotatable bonds does this compound have?", 8], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 527.4], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-conazole"], ["What is the calculated ALogP value for this compound?", 4.63], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(CCCN3CCOCC3)Cc3cccc(CC(=O)OC)c3)c2n1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many rotatable bonds does this compound have?", 16], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 12], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the polar surface area (PSA) value of this compound?", 140.83], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["What is the molecular formula of this compound, including any salt that it may have?", "C29H43N7O5"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 2.21], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many heavy (non-hydrogen) atoms does this compound have?", 41], ["What is the molecular weight of this compound's parent molecule?", 569.71], ["Please provide a description of this drug's mechanism of action.", "Toll-like receptor 7 agonist"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 11], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CC(C)(O)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12.Cl": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular weight of this compound's parent molecule?", 327.82], ["How many hydrogen bond acceptors does this compound have?", 4], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the polar surface area (PSA) value of this compound?", 50.42], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 3.69], ["Please provide a description of this drug's mechanism of action.", "11-beta-hydroxysteroid dehydrogenase 1 inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 23], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H19Cl2N3O"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1": [["How many rotatable bonds does this compound have?", 4], ["How many aromatic rings does this compound have?", 3], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular weight of this compound's parent molecule?", 427.55], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the polar surface area (PSA) value of this compound?", 52.65], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-apt-; -vaptan"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the definition of this compound's USAN stem?", "aptamers, classical and mirror; vasopressin receptor antagonists"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C27H29N3O2"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["What is the calculated ALogP value for this compound?", 5.29], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Clinical Phase unknown"], ["Please provide a description of this drug's mechanism of action.", "Vasopressin V2 receptor antagonist"]], "CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21": [["Determine the type of availability for this drug.", "discontinued"], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H19F3N2S"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Dopamine D2 receptor antagonist"], ["What is the molecular weight of this compound's parent molecule?", 352.43], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 6.48], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the calculated ALogP value for this compound?", 5.26], ["What is the first recorded year of approval for this drug?", 1957]], "C=CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many heavy (non-hydrogen) atoms does this compound have?", 31], ["What is the calculated ALogP value for this compound?", 1.78], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H22N6O3"], ["Please provide a description of this drug's mechanism of action.", "Fibroblast growth factor receptor inhibitor"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 108.39], ["What is the first recorded year of approval for this drug?", 2022], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the molecular weight of this compound's parent molecule?", 418.46], ["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CN(C)C(=N)NC(=N)N.Cl": [["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 129.17], ["How many heavy (non-hydrogen) atoms does this compound have?", 9], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 0], ["Please provide a description of this drug's mechanism of action.", "Mitochondrial glycerol-3-phosphate dehydrogenase inhibitor"], ["What is the polar surface area (PSA) value of this compound?", 88.99], ["What is the molecular formula of this compound, including any salt that it may have?", "C4H12ClN5"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", -1.03], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the first recorded year of approval for this drug?", 1995], ["What is the definition of this compound's USAN stem?", "hypoglycemics (phenformin type)"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Determine the type of availability for this drug.", "prescription only"], ["Please provide a description of this drug's mechanism of action.", "Mitochondrial complex I (NADH dehydrogenase) inhibitor"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-formin"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 5], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C1/C(=C2\\Nc3ccc(S(=O)(=O)[O-])cc3C2=O)Nc2ccc(S(=O)(=O)[O-])cc21.[Na+].[Na+]": [["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H8N2Na2O8S2"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["What is the molecular weight of this compound's parent molecule?", 422.4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 2022], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["What is the polar surface area (PSA) value of this compound?", 166.94], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["Please provide a description of this drug's mechanism of action.", "Diagnostic"], ["What is the calculated ALogP value for this compound?", 1.31], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1": [["Which USAN substem can this drug or clinical candidate name be matched with?", "-lisib"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many aromatic rings does this compound have?", 5], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 33], ["Please provide a description of this drug's mechanism of action.", "PI3-kinase p110-delta subunit inhibitor"], ["What is the calculated ALogP value for this compound?", 4.89], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C26H28N6O"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["What is the polar surface area (PSA) value of this compound?", 76.98], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the definition of this compound's USAN stem?", "phosphatidylinositol 3-kinase (PI3K) inhibitors"], ["What is the molecular weight of this compound's parent molecule?", 440.55], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)CCC(=O)O[C@@H](C(=O)O[C@H]4C[C@@]5(O)[C@@H](OC(=O)c6ccccc6)[C@@H]6[C@]7(OC(C)=O)CO[C@@H]7C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(C)=O)C(=C4C)C5(C)C)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)O[C@@H](C(=O)O[C@H]4C[C@@]5(O)[C@@H](OC(=O)c6ccccc6)[C@@H]6[C@]7(OC(C)=O)CO[C@@H]7C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(C)=O)C(=C4C)C5(C)C)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)[C@@H](C)O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O": [["What is the molecular formula of this compound, including any salt that it may have?", "C257H308N32O79"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Unknown chirality"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 5109.44], ["Please provide a description of this drug's mechanism of action.", "Tubulin inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Prolow-density lipoprotein receptor-related protein 1 binding agent"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"]], "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C": [["How many aromatic rings does this compound have?", 0], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-cort-"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H32O6"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 100.9], ["What is the molecular weight of this compound's parent molecule?", 404.5], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the definition of this compound's USAN stem?", "cortisone derivatives"], ["Please provide a description of this drug's mechanism of action.", "Glucocorticoid receptor agonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 2.35], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the first recorded year of approval for this drug?", 1951], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "CC(C)[C@@]1(C(=O)N[C@H]2CC(=O)O[C@]2(O)CF)CC(c2nccc3ccccc23)=NO1": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-casan"], ["Please provide a description of this drug's mechanism of action.", "Caspase-1 inhibitor"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Please provide a description of this drug's mechanism of action.", "Caspase-9 inhibitor"], ["What is the molecular weight of this compound's parent molecule?", 415.42], ["What is the polar surface area (PSA) value of this compound?", 110.11], ["How many aromatic rings does this compound have?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H22FN3O5"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 1.84], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["What is the definition of this compound's USAN stem?", "caspase inhibitors"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["Please provide a description of this drug's mechanism of action.", "Caspase-8 inhibitor"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 290.32], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the calculated ALogP value for this compound?", 1.26], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-prim"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 21], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H18N4O3"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the first recorded year of approval for this drug?", 1973], ["How many rotatable bonds does this compound have?", 5], ["Please provide a description of this drug's mechanism of action.", "Bacterial dihydrofolate reductase inhibitor"], ["What is the polar surface area (PSA) value of this compound?", 105.51], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the definition of this compound's USAN stem?", "antibacterials (trimethoprim type), dihydrofolate reductase (DHFR) inhibitors"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)([O-])[O-].[Na+].[Na+]": [["What is the molecular formula of this compound, including any salt that it may have?", "C18H19Na2O8P"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["What is the molecular weight of this compound's parent molecule?", 396.33], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the calculated ALogP value for this compound?", 3.36], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 27], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-bulin; fos-"], ["How many hydrogen bond acceptors does this compound have?", 6], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["Please provide a description of this drug's mechanism of action.", "Tubulin inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the definition of this compound's USAN stem?", "antineoplastics (mitotic inhibitors; tubulin binders); phosphoro-derivatives"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many rotatable bonds does this compound have?", 8], ["What is the polar surface area (PSA) value of this compound?", 103.68], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O": [["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 6], ["What is the calculated ALogP value for this compound?", 3.62], ["Please provide a description of this drug's mechanism of action.", "Hemoglobin HbA positive modulator"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "Yes"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the first recorded year of approval for this drug?", 2019], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the molecular weight of this compound's parent molecule?", 337.38], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 77.24], ["What is the molecular formula of this compound, including any salt that it may have?", "C19H19N3O3"], ["How many aromatic rings does this compound have?", 3]], "Clc1cc(Cl)c(OCC#CI)cc1Cl": [["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors does this compound have?", 1], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["What is the calculated ALogP value for this compound?", 4.42], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 361.39], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 14], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 2], ["What is the first recorded year of approval for this drug?", 1982], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 9.23], ["What is the molecular formula of this compound, including any salt that it may have?", "C9H4Cl3IO"], ["Please provide a description of this drug's mechanism of action.", "Cell membrane inhibitor"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(OC(C)C)O[C@H]2[C@@]1(C)F": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H23FN5O6P"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 2.38], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 11], ["Please provide a description of this drug's mechanism of action.", "Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 132.84], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["How many hydrogen bond acceptors does this compound have?", 11], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 431.36]], "CNc1nc(C)nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Unknown chirality"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["How many rotatable bonds does this compound have?", 6], ["What is the molecular weight of this compound's parent molecule?", 447.47], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the polar surface area (PSA) value of this compound?", 115.62], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Epoxide hydratase inhibitor"], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H24F3N7O"], ["What is the calculated ALogP value for this compound?", 3.4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cc1ncc([N+](=O)[O-])n1CCO": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-nidazole"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "DNA inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 12], ["Is it known whether this drug is applied topically?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C6H9N3O3"], ["How many rotatable bonds does this compound have?", 3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 81.19], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["What is the calculated ALogP value for this compound?", 0.09], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many hydrogen bond donors does this compound have?", 1], ["What is the molecular weight of this compound's parent molecule?", 171.16], ["What is the definition of this compound's USAN stem?", "antiprotozoal substances (metronidazole type)"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the first recorded year of approval for this drug?", 1963]], "Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "DNA inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the definition of this compound's USAN stem?", "H2-receptor antagonists (cimetidine type)"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "RNA inhibitor"], ["Please provide a description of this drug's mechanism of action.", "DNA (cytosine-5)-methyltransferase 3A inhibitor"], ["Please provide a description of this drug's mechanism of action.", "DNA (cytosine-5)-methyltransferase 1 inhibitor"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 9], ["What is the molecular weight of this compound's parent molecule?", 244.21], ["What is the first recorded year of approval for this drug?", 2004], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 17], ["Determine the type of availability for this drug.", "prescription only"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tidine"], ["How many rotatable bonds does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 143.72], ["What is the calculated ALogP value for this compound?", -3.17], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 5], ["What is the molecular formula of this compound, including any salt that it may have?", "C8H12N4O5"], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Please provide a description of this drug's mechanism of action.", "DNA inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "DNA polymerase (alpha/delta/epsilon) inhibitor"], ["How many hydrogen bond donors does this compound have?", 3], ["Is it known whether this drug is administered parenterally?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C10H11ClFN5O3"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the polar surface area (PSA) value of this compound?", 119.31], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["What is the first recorded year of approval for this drug?", 2004], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the molecular weight of this compound's parent molecule?", 303.68], ["Is it known whether this drug is taken orally?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 20], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-arabine"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["Please provide a description of this drug's mechanism of action.", "Ribonucleoside-diphosphate reductase RR1 inhibitor"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the definition of this compound's USAN stem?", "antineoplastics (arabinofuranosyl derivatives)"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"], ["What is the calculated ALogP value for this compound?", -0.35]], "Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C.Cl": [["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["How many rotatable bonds does this compound have?", 6], ["Please provide a description of this drug's mechanism of action.", "GABA transporter 1 inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H26ClNO2S2"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 5.04], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "ZWITTERION"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-gab-"], ["What is the molecular weight of this compound's parent molecule?", 375.56], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the first recorded year of approval for this drug?", 1997], ["What is the definition of this compound's USAN stem?", "gabamimetics"], ["What is the polar surface area (PSA) value of this compound?", 40.54], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COc1cc2c(cc1O)CCN[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@H]2c3c(cc(C)c(OC)c3O)C[C@@H]([C@@H]1O)N2C)OCO4": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Please provide a description of this drug's mechanism of action.", "DNA inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 761.85], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 14], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-ectedin"], ["What is the definition of this compound's USAN stem?", "ecteinascidin derivatives"], ["How many hydrogen bond acceptors does this compound have?", 15], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 54], ["What is the molecular formula of this compound, including any salt that it may have?", "C39H43N3O11S"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 168.72], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 3.41], ["What is the first recorded year of approval for this drug?", 2015], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the polar surface area (PSA) value of this compound?", 98.42], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["What is the calculated ALogP value for this compound?", 3.95], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H28N4O4S"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["How many hydrogen bond acceptors does this compound have?", 8], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 456.57], ["Please provide a description of this drug's mechanism of action.", "Glucose-dependent insulinotropic receptor agonist"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the polar surface area (PSA) value of this compound?", 43.7], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "D2-like dopamine receptor agonist"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular weight of this compound's parent molecule?", 267.33], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the first recorded year of approval for this drug?", 2004], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C17H18ClNO2"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 20], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the calculated ALogP value for this compound?", 2.85]], "Clc1ccc(CO/N=C(\\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O": [["What is the molecular formula of this compound, including any salt that it may have?", "C18H14Cl4N4O4"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["What is the definition of this compound's USAN stem?", "systemic antifungals (miconazole type)"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Cytochrome P450 51 inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 6.12], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many heavy (non-hydrogen) atoms does this compound have?", 26], ["What is the polar surface area (PSA) value of this compound?", 39.41], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["What is the molecular weight of this compound's parent molecule?", 429.13], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the first recorded year of approval for this drug?", 1988], ["Determine if this compound is a prodrug.", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-conazole"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C": [["How many aromatic rings does this compound have?", 0], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular formula of this compound, including any salt that it may have?", "C26H32F2O7"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["What is the first recorded year of approval for this drug?", 1977], ["What is the calculated ALogP value for this compound?", 2.99], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 494.53], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Glucocorticoid receptor agonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many heavy (non-hydrogen) atoms does this compound have?", 35], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 106.97], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O": [["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 28.16], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Please provide a description of this drug's mechanism of action.", "Ferriprotoporphyrin IX inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 4.81], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the first recorded year of approval for this drug?", 1949], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 8], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H32ClN3O8P2"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 319.88], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 22]], "Cn1c(/C=C/CO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C15H16N2O4"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "DNA inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many heavy (non-hydrogen) atoms does this compound have?", 21], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 0.1], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the molecular weight of this compound's parent molecule?", 288.3], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the polar surface area (PSA) value of this compound?", 82.54], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "N=C(N)NCCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCNC(=N)N)c3O[C@@H]3CCNC3)ncn2)c1O[C@@H]1CCNC1": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many aromatic rings does this compound have?", 3], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 3], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 308.5], ["What is the definition of this compound's USAN stem?", "natural antibiotics (undefined group)"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many hydrogen bond donors does this compound have?", 12], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 12], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 20], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 66], ["Is it known whether this drug is taken orally?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 3], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C40H50F6N14O6"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["What is the calculated ALogP value for this compound?", 3.68], ["How many rotatable bonds does this compound have?", 20], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Membrane disrupting agent"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 14], ["What is the molecular weight of this compound's parent molecule?", 936.92], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-cidin"]], "CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["What is the first recorded year of approval for this drug?", 1953], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Dihydrofolate reductase inhibitor"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the polar surface area (PSA) value of this compound?", 77.82], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 17], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["What is the molecular weight of this compound's parent molecule?", 248.72], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C12H13ClN4"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 2.52], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Nc1n[n+]([O-])c2ccccc2[n+]1[O-]": [["What is the molecular weight of this compound's parent molecule?", 178.15], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "DNA disrupting agent"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many rotatable bonds does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 92.79], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the calculated ALogP value for this compound?", -0.92], ["What is the molecular formula of this compound, including any salt that it may have?", "C7H6N4O2"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond donors does this compound have?", 1], ["How many heavy (non-hydrogen) atoms does this compound have?", 13], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)CO": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 13], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 3], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 15], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 10], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the definition of this compound's USAN stem?", "antineoplastics (rebeccamycin derivatives)"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C29H28N4O11"], ["How many aromatic rings does this compound have?", 5], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many hydrogen bond donors does this compound have?", 10], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", -0.73], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["What is the polar surface area (PSA) value of this compound?", 241.2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 3], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tecarin"], ["How many heavy (non-hydrogen) atoms does this compound have?", 44], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 608.56], ["Please provide a description of this drug's mechanism of action.", "DNA topoisomerase I inhibitor"]], "COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2.Cl": [["What is the molecular weight of this compound's parent molecule?", 468.59], ["How many rotatable bonds does this compound have?", 10], ["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the calculated ALogP value for this compound?", 3.31], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C27H37ClN2O5"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["How many hydrogen bond acceptors does this compound have?", 6], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 blocker"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the first recorded year of approval for this drug?", 2015], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 60.47]], "C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N": [["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the polar surface area (PSA) value of this compound?", 46.25], ["Please provide a description of this drug's mechanism of action.", "Mu opioid receptor partial agonist"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 18], ["How many rotatable bonds does this compound have?", 0], ["What is the calculated ALogP value for this compound?", 3.11], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["What is the first recorded year of approval for this drug?", 1989], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H23NO"], ["What is the molecular weight of this compound's parent molecule?", 245.37], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Kappa opioid receptor antagonist"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "Tyrosine-protein kinase receptor FLT3 inhibitor"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Tyrosine-protein kinase receptor UFO inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib"], ["What is the molecular formula of this compound, including any salt that it may have?", "C31H29FN4O5"], ["Please provide a description of this drug's mechanism of action.", "Hepatocyte growth factor receptor inhibitor"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many aromatic rings does this compound have?", 5], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the polar surface area (PSA) value of this compound?", 107.61], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Proto-oncogene tyrosine-protein kinase MER inhibitor"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 8], ["What is the calculated ALogP value for this compound?", 5.37], ["How many heavy (non-hydrogen) atoms does this compound have?", 41], ["How many hydrogen bond acceptors does this compound have?", 8], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Please provide a description of this drug's mechanism of action.", "Vascular endothelial growth factor receptor 2 inhibitor"], ["What is the molecular weight of this compound's parent molecule?", 556.59], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Clinical Phase unknown"]], "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the molecular weight of this compound's parent molecule?", 580.76], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "ALK tyrosine kinase receptor inhibitor"], ["What is the polar surface area (PSA) value of this compound?", 115.82], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 11], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["What is the calculated ALogP value for this compound?", 3.77], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 41], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond acceptors does this compound have?", 11], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C29H40N8O3S"], ["How many aromatic rings does this compound have?", 3]], "c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2": [["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["How many hydrogen bond acceptors does this compound have?", 3], ["Please provide a description of this drug's mechanism of action.", "Histamine H1 receptor antagonist"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H22N2S"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 23], ["How many rotatable bonds does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 6.48], ["What is the calculated ALogP value for this compound?", 4.63], ["What is the molecular weight of this compound's parent molecule?", 322.48], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+]": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Please provide a description of this drug's mechanism of action.", "Bacterial dihydropteroate synthase inhibitor"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular weight of this compound's parent molecule?", 250.28], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 0.86], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Which USAN substem can this drug or clinical candidate name be matched with?", "sulfa-"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 17], ["Determine the type of availability for this drug.", "prescription only"], ["What is the first recorded year of approval for this drug?", 1973], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the definition of this compound's USAN stem?", "antimicrobials (sulfonamides derivatives)"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the polar surface area (PSA) value of this compound?", 97.97], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C10H9AgN4O2S"]], "Cl.O=c1[nH]c(C2CCCN2)nc2c1oc1ccc(Cl)cc12": [["How many rotatable bonds does this compound have?", 1], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["What is the calculated ALogP value for this compound?", 2.75], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors does this compound have?", 4], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular weight of this compound's parent molecule?", 289.72], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Cell division cycle 7-related protein kinase inhibitor"], ["What is the polar surface area (PSA) value of this compound?", 70.92], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 20], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H13Cl2N3O2"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO": [["What is the polar surface area (PSA) value of this compound?", 124.96], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the definition of this compound's USAN stem?", "enzyme inhibitors: indoleamine 2, 3-dioxygenase 1 (IDO1) inhibitors"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the calculated ALogP value for this compound?", 1.86], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H30N2O6"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-stat (-dostat)"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 406.48], ["How many rotatable bonds does this compound have?", 9], ["How many hydrogen bond acceptors does this compound have?", 6], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Aminopeptidase inhibitor"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Phosphodiesterase 3 inhibitor"], ["Please provide a description of this drug's mechanism of action.", "Phosphodiesterase 4 inhibitor"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 0], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H24N10O4"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 180.17], ["What is the first recorded year of approval for this drug?", 1940], ["What is the calculated ALogP value for this compound?", -1.04], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["Please provide a description of this drug's mechanism of action.", "Adenosine receptor antagonist"], ["What is the polar surface area (PSA) value of this compound?", 72.68], ["How many hydrogen bond donors does this compound have?", 1], ["How many heavy (non-hydrogen) atoms does this compound have?", 13], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Oc1c(Cl)cc(Cl)c2cccnc12": [["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "DNA inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 0], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C9H5Cl2NO"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the first recorded year of approval for this drug?", 1976], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 3.25], ["What is the polar surface area (PSA) value of this compound?", 33.12], ["How many hydrogen bond donors does this compound have?", 1], ["How many heavy (non-hydrogen) atoms does this compound have?", 13], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 214.05]], "N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O": [["How many heavy (non-hydrogen) atoms does this compound have?", 19], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "DNA inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the calculated ALogP value for this compound?", 1.93], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the first recorded year of approval for this drug?", 1964], ["How many aromatic rings does this compound have?", 1], ["Determine the type of availability for this drug.", "prescription only"], ["What is the molecular weight of this compound's parent molecule?", 305.21], ["What is the polar surface area (PSA) value of this compound?", 66.56], ["How many rotatable bonds does this compound have?", 8], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is this compound an acid, a base, or neutral?", "ZWITTERION"], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C13H18Cl2N2O2"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C/C(=C\\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O": [["How many aromatic rings does this compound have?", 0], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-rocin"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the first recorded year of approval for this drug?", 1987], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many rotatable bonds does this compound have?", 16], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Isoleucyl-tRNA synthetase inhibitor"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["What is the definition of this compound's USAN stem?", "t-RNA synthetase inhibitors"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 500.63], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["How many heavy (non-hydrogen) atoms does this compound have?", 35], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the polar surface area (PSA) value of this compound?", 146.05], ["What is the calculated ALogP value for this compound?", 2.59], ["What is the molecular formula of this compound, including any salt that it may have?", "C26H44O9"], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C(c1cc(Cn2c(=O)[nH]c(=O)c3c(F)cccc32)ccc1F)N1CCN(c2ncccn2)CC1": [["Please provide a description of this drug's mechanism of action.", "Poly [ADP-ribose] polymerase-1 inhibitor"], ["How many rotatable bonds does this compound have?", 4], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H20F2N6O3"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the definition of this compound's USAN stem?", "poly-ADP-ribose polymerase inhibitors"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-parib"], ["How many hydrogen bond acceptors does this compound have?", 7], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the calculated ALogP value for this compound?", 1.77], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many aromatic rings does this compound have?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 35], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Poly [ADP-ribose] polymerase 2 inhibitor"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 104.19], ["What is the molecular weight of this compound's parent molecule?", 478.46]], "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O.[Na+]": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 13], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["What is the calculated ALogP value for this compound?", -1.11], ["How many aromatic rings does this compound have?", 2], ["Please provide a description of this drug's mechanism of action.", "Bacterial penicillin-binding protein inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 17], ["Which USAN substem can this drug or clinical candidate name be matched with?", "cef-"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["What is the polar surface area (PSA) value of this compound?", 220.26], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H26N9NaO8S2"], ["What is the first recorded year of approval for this drug?", 1982], ["How many heavy (non-hydrogen) atoms does this compound have?", 44], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 645.68], ["How many hydrogen bond donors does this compound have?", 4], ["What is the definition of this compound's USAN stem?", "cephalosporins"]], "CS(=O)(=O)N(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1": [["What is the definition of this compound's USAN stem?", "cannabinol derivatives: CB (e.g., CB, CB2, etc.) cannabinoid receptor antagonists"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the molecular weight of this compound's parent molecule?", 497.39], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H20Cl2F2N2O2S"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many hydrogen bond donors does this compound have?", 0], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 40.62], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Please provide a description of this drug's mechanism of action.", "Cannabinoid CB1 receptor antagonist"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-nab- (-nabant)"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the calculated ALogP value for this compound?", 5.51], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1": [["How many heavy (non-hydrogen) atoms does this compound have?", 19], ["How many rotatable bonds does this compound have?", 4], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular weight of this compound's parent molecule?", 263.38], ["What is the first recorded year of approval for this drug?", 2008], ["Please provide a description of this drug's mechanism of action.", "Norepinephrine transporter inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the calculated ALogP value for this compound?", 2.73], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-faxine"], ["How many aromatic rings does this compound have?", 1], ["Determine the type of availability for this drug.", "prescription only"], ["What is the definition of this compound's USAN stem?", "antianxiety, antidepressant inhibitor of norepinephrine and dopamine re-uptake"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Please provide a description of this drug's mechanism of action.", "Serotonin transporter inhibitor"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H25NO2"], ["What is the polar surface area (PSA) value of this compound?", 43.7]], "CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 30.29], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Cyclooxygenase inhibitor"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 309.41], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the calculated ALogP value for this compound?", 3.42], ["How many heavy (non-hydrogen) atoms does this compound have?", 23], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C19H24ClN3O"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1": [["Which USAN substem can this drug or clinical candidate name be matched with?", "-anib"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Please provide a description of this drug's mechanism of action.", "Platelet-derived growth factor receptor inhibitor"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the calculated ALogP value for this compound?", 5.22], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 33], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 72.5], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["What is the molecular weight of this compound's parent molecule?", 450.51], ["How many aromatic rings does this compound have?", 4], ["How many rotatable bonds does this compound have?", 8], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H27FN4O3"], ["Please provide a description of this drug's mechanism of action.", "Stem cell growth factor receptor inhibitor"], ["What is the definition of this compound's USAN stem?", "angiogenesis inhibitors"], ["How many hydrogen bond donors does this compound have?", 1], ["Please provide a description of this drug's mechanism of action.", "Vascular endothelial growth factor receptor inhibitor"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21.Cl": [["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Sodium channel alpha subunit blocker"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the calculated ALogP value for this compound?", 3.22], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the first recorded year of approval for this drug?", 1989], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 23], ["What is the polar surface area (PSA) value of this compound?", 55.12], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H25ClN2O"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 308.43]], "Cl.Cl.NCCNCCNCCN": [["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular weight of this compound's parent molecule?", 146.24], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the calculated ALogP value for this compound?", -1.92], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 6], ["What is the polar surface area (PSA) value of this compound?", 76.1], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["What is the first recorded year of approval for this drug?", 1985], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["Please provide a description of this drug's mechanism of action.", "Copper chelating agent"], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 10], ["What is the molecular formula of this compound, including any salt that it may have?", "C6H20Cl2N4"]], "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO": [["How many aromatic rings does this compound have?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H29FO5"], ["What is the polar surface area (PSA) value of this compound?", 94.83], ["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 392.47], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the calculated ALogP value for this compound?", 1.9], ["Please provide a description of this drug's mechanism of action.", "Glucocorticoid receptor agonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 1958], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1": [["What is the molecular formula of this compound, including any salt that it may have?", "C32H36N8O2"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the molecular weight of this compound's parent molecule?", 564.69], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["How many aromatic rings does this compound have?", 5], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["How many heavy (non-hydrogen) atoms does this compound have?", 42], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the calculated ALogP value for this compound?", 4.19], ["How many hydrogen bond acceptors does this compound have?", 9], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the polar surface area (PSA) value of this compound?", 92.82], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["Please provide a description of this drug's mechanism of action.", "Macrophage colony stimulating factor receptor inhibitor"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1": [["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many heavy (non-hydrogen) atoms does this compound have?", 31], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["What is the calculated ALogP value for this compound?", 2.5], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H33FO6"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the first recorded year of approval for this drug?", 1965], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["What is the definition of this compound's USAN stem?", "androgens"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-andr-"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Glucocorticoid receptor agonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 93.06], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the molecular weight of this compound's parent molecule?", 436.52], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC1(C)C[C@@H]1C(=O)N/C(=C\\CCCCSC[C@H](N)C(=O)O)C(=O)[O-].[Na+]": [["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-stat- (-statin)"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the calculated ALogP value for this compound?", 1.43], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular weight of this compound's parent molecule?", 358.46], ["Is there a black box warning associated with this drug?", "No"], ["What is the polar surface area (PSA) value of this compound?", 129.72], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H25N2NaO5S"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the definition of this compound's USAN stem?", "enzyme inhibitors: antihyperlipidemics (HMG-CoA inhibitors)"], ["Determine the type of availability for this drug.", "prescription only"], ["Please provide a description of this drug's mechanism of action.", "Renal dipeptidase inhibitor"], ["How many rotatable bonds does this compound have?", 11], ["Is this compound an acid, a base, or neutral?", "ZWITTERION"], ["What is the first recorded year of approval for this drug?", 1985], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 5], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC": [["How many rotatable bonds does this compound have?", 1], ["How many aromatic rings does this compound have?", 0], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the calculated ALogP value for this compound?", 3.88], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H28O2"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 37.3], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the definition of this compound's USAN stem?", "estrogens; progestins"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the first recorded year of approval for this drug?", 1968], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["Please provide a description of this drug's mechanism of action.", "Progesterone receptor agonist"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-estr-; -gest-"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 23], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 312.45], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1.[Cl-]": [["Determine the type of availability for this drug.", "discontinued"], ["What is the calculated ALogP value for this compound?", 3.55], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H35ClN2O3"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the polar surface area (PSA) value of this compound?", 59.28], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many rotatable bonds does this compound have?", 15], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the definition of this compound's USAN stem?", "quaternary ammonium derivatives"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 26], ["What is the first recorded year of approval for this drug?", 1982], ["What is the molecular weight of this compound's parent molecule?", 363.52], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Unknown"], ["How many hydrogen bond donors does this compound have?", 1], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-ium"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Nc1ccncc1N": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Please provide a description of this drug's mechanism of action.", "Voltage-gated potassium channel blocker"], ["What is the molecular formula of this compound, including any salt that it may have?", "C5H7N3"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 64.93], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 8], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["What is the molecular weight of this compound's parent molecule?", 109.13], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["What is the calculated ALogP value for this compound?", 0.25], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the first recorded year of approval for this drug?", 2018], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12": [["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the calculated ALogP value for this compound?", -1.6], ["What is the polar surface area (PSA) value of this compound?", 162.06], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 27], ["Please provide a description of this drug's mechanism of action.", "Bacterial penicillin-binding protein inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C15H24N4O6S2"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 6], ["What is the definition of this compound's USAN stem?", "antibacterial antibiotics, carbapenem derivatives"], ["What is the molecular weight of this compound's parent molecule?", 420.51], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 2007], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many hydrogen bond donors does this compound have?", 5], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-penem"], ["Is this compound an acid, a base, or neutral?", "ZWITTERION"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C": [["How many aromatic rings does this compound have?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C28H35FO7"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the definition of this compound's USAN stem?", "topical steroids (acetal derivatives)"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular weight of this compound's parent molecule?", 502.58], ["How many rotatable bonds does this compound have?", 3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 36], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the calculated ALogP value for this compound?", 3.52], ["Please provide a description of this drug's mechanism of action.", "Glucocorticoid receptor agonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 99.13], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the first recorded year of approval for this drug?", 1979], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-onide"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "CS(=O)(=O)CCC#N": [["How many aromatic rings does this compound have?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C4H7NO2S"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the polar surface area (PSA) value of this compound?", 57.93], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["What is the calculated ALogP value for this compound?", -0.06], ["Please provide a description of this drug's mechanism of action.", "NACHT, LRR and PYD domains-containing protein 3 inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 8], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 2], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 133.17], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C#CCN[C@@H]1CCc2ccccc21.CS(=O)(=O)O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors does this compound have?", 1], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C13H17NO3S"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["What is the polar surface area (PSA) value of this compound?", 12.03], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the calculated ALogP value for this compound?", 1.9], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the definition of this compound's USAN stem?", "Monoamine oxidase (MAO) inhibitors, type B"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-giline"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 1], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the first recorded year of approval for this drug?", 2006], ["Please provide a description of this drug's mechanism of action.", "Monoamine oxidase B inhibitor"], ["How many hydrogen bond donors does this compound have?", 1], ["How many heavy (non-hydrogen) atoms does this compound have?", 13], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 171.24]], "COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](N3C[C@@H](CF)CC3=O)CN1CC2": [["How many rotatable bonds does this compound have?", 4], ["What is the molecular weight of this compound's parent molecule?", 377.46], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H28FN3O3"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the calculated ALogP value for this compound?", 1.52], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many heavy (non-hydrogen) atoms does this compound have?", 27], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the definition of this compound's USAN stem?", "dipeptidyl aminopeptidase-IV inhibitors"], ["What is the polar surface area (PSA) value of this compound?", 68.03], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Please provide a description of this drug's mechanism of action.", "Dipeptidyl peptidase IV inhibitor"], ["How many aromatic rings does this compound have?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond acceptors does this compound have?", 5], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-gliptin"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "NC[C@H](O)c1ccc(O)c(O)c1.O.O=C(O)C(O)C(O)C(=O)O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular formula of this compound, including any salt that it may have?", "C12H19NO10"], ["What is the first recorded year of approval for this drug?", 1950], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 12], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 86.71], ["What is the molecular weight of this compound's parent molecule?", 169.18], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["What is the calculated ALogP value for this compound?", 0.09], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 5], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Adrenergic receptor agonist"]], "CC(C)C[C@@H](C(=O)Nc1ccn(C[C@@H](O)CO)n1)N1CC(Oc2ccccc2Cl)=CC1=O": [["How many rotatable bonds does this compound have?", 10], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the calculated ALogP value for this compound?", 2.05], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the polar surface area (PSA) value of this compound?", 116.92], ["What is the molecular weight of this compound's parent molecule?", 462.93], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H27ClN4O5"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the definition of this compound's USAN stem?", "glucokinase activator"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["Please provide a description of this drug's mechanism of action.", "Hexokinase type IV activator"], ["Determine if this compound is a prodrug.", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-gliatin"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1": [["How many hydrogen bond acceptors does this compound have?", 1], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 37.3], ["What is the molecular weight of this compound's parent molecule?", 244.26], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 18], ["Is it known whether this drug is applied topically?", "Yes"], ["How many rotatable bonds does this compound have?", 3], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Cyclooxygenase inhibitor"], ["What is the first recorded year of approval for this drug?", 1986], ["What is the definition of this compound's USAN stem?", "anti-inflammatory/analgesic agents (ibuprofen type)"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-profen"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Determine the type of availability for this drug.", "prescription only"], ["What is the calculated ALogP value for this compound?", 3.68], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C15H13FO2"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Please provide a description of this drug's mechanism of action.", "Bacterial dihydropteroate synthase inhibitor"], ["What is the first recorded year of approval for this drug?", 1941], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular weight of this compound's parent molecule?", 250.28], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 0.86], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Which USAN substem can this drug or clinical candidate name be matched with?", "sulfa-"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 17], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the definition of this compound's USAN stem?", "antimicrobials (sulfonamides derivatives)"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the polar surface area (PSA) value of this compound?", 97.97], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C10H10N4O2S"]], "COc1ccc2[nH]cc(CCNC(C)=O)c2c1": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the molecular weight of this compound's parent molecule?", 232.28], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the calculated ALogP value for this compound?", 1.86], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["What is the molecular formula of this compound, including any salt that it may have?", "C13H16N2O2"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Melatonin receptor agonist"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 17], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 54.12]], "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C": [["What is the calculated ALogP value for this compound?", 4.48], ["How many aromatic rings does this compound have?", 0], ["How many rotatable bonds does this compound have?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Please provide a description of this drug's mechanism of action.", "Bile acid receptor FXR agonist"], ["What is the first recorded year of approval for this drug?", 1987], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H40O4"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular weight of this compound's parent molecule?", 392.58], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Determine the type of availability for this drug.", "prescription only"], ["What is the polar surface area (PSA) value of this compound?", 77.76], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12.O=C(O)CC(O)(CC(=O)O)C(=O)O": [["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib (-citinib)"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular weight of this compound's parent molecule?", 312.38], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 3], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H28N6O8"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 23], ["Determine the type of availability for this drug.", "prescription only"], ["What is the polar surface area (PSA) value of this compound?", 88.91], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Janus Kinase (JAK) inhibitor"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the first recorded year of approval for this drug?", 2012], ["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors: tyrosine kinase inhibitors; janus kinase inhibitors"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the calculated ALogP value for this compound?", 1.54]], "CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N.Cl": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the calculated ALogP value for this compound?", 3.63], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-imod"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Sphingosine 1-phosphate receptor Edg-1 modulator"], ["What is the first recorded year of approval for this drug?", 2020], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 404.47], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H25ClN4O3"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Determine the type of availability for this drug.", "prescription only"], ["What is the definition of this compound's USAN stem?", "immunomodulators"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 104.2], ["How many aromatic rings does this compound have?", 3]], "CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the first recorded year of approval for this drug?", 1999], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the polar surface area (PSA) value of this compound?", 104.81], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the definition of this compound's USAN stem?", "class III antiarrhythmic agents"], ["What is the molecular weight of this compound's parent molecule?", 441.58], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["What is the molecular formula of this compound, including any salt that it may have?", "C19H27N3O5S2"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "HERG blocker"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the calculated ALogP value for this compound?", 1.98], ["Determine the type of availability for this drug.", "prescription only"], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many rotatable bonds does this compound have?", 11], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-ilide"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C(O)c1ccc(C2(NC(=O)C3CC4(CCN3Cc3ccc(C(F)(F)F)cc3)CC4)CC2)cc1": [["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the calculated ALogP value for this compound?", 4.95], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the polar surface area (PSA) value of this compound?", 69.64], ["How many aromatic rings does this compound have?", 2], ["What is the molecular formula of this compound, including any salt that it may have?", "C26H27F3N2O3"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["What is the molecular weight of this compound's parent molecule?", 472.51], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Please provide a description of this drug's mechanism of action.", "Prostanoid EP4 receptor antagonist"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](OP(=O)(O)O)(C(F)(F)F)CC[C@@]21Cc1ccccc1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors does this compound have?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 40], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["What is the molecular formula of this compound, including any salt that it may have?", "C29H30F3N2O5P"], ["Please provide a description of this drug's mechanism of action.", "Glucocorticoid receptor modulator"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the definition of this compound's USAN stem?", "glucocorticoid receptor agonists ( not glucocorticoids); phosphoro-derivatives"], ["What is the calculated ALogP value for this compound?", 6.28], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["What is the molecular weight of this compound's parent molecule?", 574.54], ["What is the polar surface area (PSA) value of this compound?", 108.75], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-corat; fos-"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"], ["How many aromatic rings does this compound have?", 3]], "CC(C)c1cccc(C(C)C)c1O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors does this compound have?", 1], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the calculated ALogP value for this compound?", 3.64], ["What is the polar surface area (PSA) value of this compound?", 20.23], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 178.27], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C12H18O"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the first recorded year of approval for this drug?", 1989], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["Please provide a description of this drug's mechanism of action.", "GABA-A receptor; anion channel positive allosteric modulator"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["How many heavy (non-hydrogen) atoms does this compound have?", 13], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)/C=C\\C(=O)O": [["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the calculated ALogP value for this compound?", 2.66], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H27N3O5"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 21], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Histamine H1 receptor antagonist"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 285.39], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the first recorded year of approval for this drug?", 1973], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 28.6]], "CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O": [["What is the molecular weight of this compound's parent molecule?", 354.45], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-ast (-trodast)"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Thromboxane A2 receptor antagonist"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 4.61], ["How many hydrogen bond acceptors does this compound have?", 3], ["What is the definition of this compound's USAN stem?", "antiasthmatics/antiallergics (not acting primarily as antihistamines): thromboxane A2 receptor antagonists"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H26O4"], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 26], ["How many rotatable bonds does this compound have?", 8], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 71.44], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Clinical Phase unknown"]], "C[N+](C)(C)CCO.[O-]c1ccc(Cc2cc3cccccc-3c2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O": [["How many rotatable bonds does this compound have?", 4], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Please provide a description of this drug's mechanism of action.", "Sodium/glucose cotransporter 2 inhibitor"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the calculated ALogP value for this compound?", 1.6], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many hydrogen bond donors does this compound have?", 5], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["What is the molecular weight of this compound's parent molecule?", 396.44], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 5], ["What is the molecular formula of this compound, including any salt that it may have?", "C28H37NO7"], ["What is the polar surface area (PSA) value of this compound?", 110.38], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Please provide a description of this drug's mechanism of action.", "Arachidonate 5-lipoxygenase inhibitor"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 3], ["How many aromatic rings does this compound have?", 2], ["What is the calculated ALogP value for this compound?", 2.99], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 318.37], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H15FN2O2S"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the polar surface area (PSA) value of this compound?", 66.56], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Determine if this compound is a prodrug.", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-leuton"], ["What is the definition of this compound's USAN stem?", "5-lipoxygenase inhibitors"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 22]], "Nc1nc2[nH]cnc2c(=S)[nH]1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Please provide a description of this drug's mechanism of action.", "DNA inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular weight of this compound's parent molecule?", 167.2], ["How many rotatable bonds does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the calculated ALogP value for this compound?", 0.6], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor"], ["How many heavy (non-hydrogen) atoms does this compound have?", 11], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the polar surface area (PSA) value of this compound?", 83.38], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C5H5N5S"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"], ["What is the first recorded year of approval for this drug?", 1966]], "Oc1ccc(OCc2ccccc2)cc1": [["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Tyrosinase inhibitor"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 15], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["What is the molecular weight of this compound's parent molecule?", 200.24], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 1952], ["What is the calculated ALogP value for this compound?", 2.97], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 29.46], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C13H12O2"]], "Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2": [["How many rotatable bonds does this compound have?", 4], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C30H34N8"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Tyrosine-protein kinase receptor UFO inhibitor"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["What is the polar surface area (PSA) value of this compound?", 97.78], ["Is it known whether this drug is taken orally?", "No"], ["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors"], ["How many aromatic rings does this compound have?", 4], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many heavy (non-hydrogen) atoms does this compound have?", 38], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the calculated ALogP value for this compound?", 4.88], ["What is the molecular weight of this compound's parent molecule?", 506.66], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@@H]3[C@@H](OC)[C@@H](C[C@H](O)CN)O[C@H]3C[C@H]3O[C@@H](CC[C@@H]1O2)C[C@@H](C)C3=C.CS(=O)(=O)O": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["How many aromatic rings does this compound have?", 0], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 12], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular weight of this compound's parent molecule?", 729.91], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 52], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the definition of this compound's USAN stem?", "antineoplastics (mitotic inhibitors; tubulin binders)"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 3.44], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["How many hydrogen bond acceptors does this compound have?", 12], ["Please provide a description of this drug's mechanism of action.", "Tubulin inhibitor"], ["What is the first recorded year of approval for this drug?", 2010], ["What is the molecular formula of this compound, including any salt that it may have?", "C41H63NO14S"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the polar surface area (PSA) value of this compound?", 146.39], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-bulin"]], "CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O": [["What is the molecular formula of this compound, including any salt that it may have?", "C49H62N10O16S3"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the molecular weight of this compound's parent molecule?", 1143.29], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has both."], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Cholecystokinin A receptor agonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the first recorded year of approval for this drug?", 1976], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"]], "CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1.Cl": [["Determine the type of availability for this drug.", "discontinued"], ["What is the molecular weight of this compound's parent molecule?", 352.48], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the polar surface area (PSA) value of this compound?", 55.56], ["Please provide a description of this drug's mechanism of action.", "Kappa opioid receptor agonist"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the definition of this compound's USAN stem?", "analgesics (meperidine type)"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-eridine"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 26], ["What is the first recorded year of approval for this drug?", 1982], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H29ClN2O2"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the calculated ALogP value for this compound?", 3.41], ["Please provide a description of this drug's mechanism of action.", "Mu opioid receptor agonist"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Please provide a description of this drug's mechanism of action.", "Tyrosine-protein kinase JAK3 inhibitor"], ["What is the calculated ALogP value for this compound?", 1.94], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 285.35], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 3], ["How many aromatic rings does this compound have?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 21], ["Please provide a description of this drug's mechanism of action.", "TEC family kinase inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["What is the polar surface area (PSA) value of this compound?", 73.91], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C15H19N5O"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2": [["What is the molecular weight of this compound's parent molecule?", 245.32], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the calculated ALogP value for this compound?", 2.25], ["What is the definition of this compound's USAN stem?", "selective melatonin receptor agonist"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 2014], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 18], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C15H19NO2"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the polar surface area (PSA) value of this compound?", 38.33], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Melatonin receptor agonist"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-melteon"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O": [["Please provide a description of this drug's mechanism of action.", "Amylin receptor AMY2; CALCR/RAMP2 agonist"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Is it known whether this drug is applied topically?", "No"], ["What is the first recorded year of approval for this drug?", 2005], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Please provide a description of this drug's mechanism of action.", "Amylin receptor AMY3; CALCR/RAMP3 agonist"], ["Please provide a description of this drug's mechanism of action.", "Amylin receptor AMY1, CALCR/RAMP1 agonist"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the definition of this compound's USAN stem?", "peptides: amylin derivatives or mimics"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tide (-lintide)"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the molecular weight of this compound's parent molecule?", 3949.45], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"], ["What is the molecular formula of this compound, including any salt that it may have?", "C173H271N51O55S2"]], "CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O": [["Please provide a description of this drug's mechanism of action.", "DNA topoisomerase II alpha inhibitor"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the polar surface area (PSA) value of this compound?", 176.61], ["How many hydrogen bond acceptors does this compound have?", 10], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the calculated ALogP value for this compound?", 0.63], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 3], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-rubicin"], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H25NO9"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 6], ["What is the molecular weight of this compound's parent molecule?", 483.47], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many hydrogen bond donors does this compound have?", 5], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 35], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the definition of this compound's USAN stem?", "antineoplastic antibiotics (daunorubicin type)"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(C)Cc1ccc([C@H](C)C(=O)O)cc1": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors does this compound have?", 1], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 37.3], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular formula of this compound, including any salt that it may have?", "C13H18O2"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 15], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Cyclooxygenase inhibitor"], ["What is the definition of this compound's USAN stem?", "anti-inflammatory/analgesic agents (ibuprofen type)"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-profen"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the molecular weight of this compound's parent molecule?", 206.28], ["How many aromatic rings does this compound have?", 1], ["What is the calculated ALogP value for this compound?", 3.07], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.O.[Br-]": [["Which USAN substem can this drug or clinical candidate name be matched with?", "-ium; -trop-"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["What is the definition of this compound's USAN stem?", "quaternary ammonium derivatives; atropine derivatives"], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the first recorded year of approval for this drug?", 1986], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H32BrNO4"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the polar surface area (PSA) value of this compound?", 46.53], ["How many rotatable bonds does this compound have?", 5], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 332.46], ["Please provide a description of this drug's mechanism of action.", "Muscarinic acetylcholine receptor M3 antagonist"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the calculated ALogP value for this compound?", 2.85]], "CS(=O)(=O)O.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1": [["What is the molecular weight of this compound's parent molecule?", 329.37], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-oxetine"], ["What is the definition of this compound's USAN stem?", "antidepressants (fluoxetine type)"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many aromatic rings does this compound have?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 39.72], ["What is the first recorded year of approval for this drug?", 2003], ["What is the calculated ALogP value for this compound?", 3.33], ["Please provide a description of this drug's mechanism of action.", "Serotonin transporter inhibitor"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H24FNO6S"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCOc1ccc2c(c1)[C@]1(CC[C@H](CCN3CCOCC3)CC1)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1OC": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the calculated ALogP value for this compound?", 4.51], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the polar surface area (PSA) value of this compound?", 114.48], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-apt-; -vaptan"], ["What is the molecular formula of this compound, including any salt that it may have?", "C33H45N3O7S"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["What is the definition of this compound's USAN stem?", "aptamers, classical and mirror; vasopressin receptor antagonists"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Determine if this compound is a prodrug.", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 44], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 627.8], ["Please provide a description of this drug's mechanism of action.", "Vasopressin V2 receptor antagonist"]], "COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.Cc1cc(CS(=O)(=O)c2ccc(N)cc2)no1": [["Please provide a description of this drug's mechanism of action.", "Bacterial dihydropteroate synthase inhibitor"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular weight of this compound's parent molecule?", 542.62], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H30N6O6S"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Unknown chirality"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Please provide a description of this drug's mechanism of action.", "Bacterial dihydrofolate reductase inhibitor"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C.Cl": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the calculated ALogP value for this compound?", 1.87], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Sodium channel alpha subunit blocker"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 2017], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["How many rotatable bonds does this compound have?", 3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C17H22ClNO4"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-caine"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the definition of this compound's USAN stem?", "local anesthetics"], ["What is the polar surface area (PSA) value of this compound?", 55.84], ["What is the molecular weight of this compound's parent molecule?", 303.36], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 22]], "C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2ccc(o2)COC/1": [["How many rotatable bonds does this compound have?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "Tyrosine-protein kinase receptor FLT3 inhibitor"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C26H30N4O4"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 4.56], ["What is the polar surface area (PSA) value of this compound?", 81.88], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["Please provide a description of this drug's mechanism of action.", "Tyrosine-protein kinase JAK2 inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the molecular weight of this compound's parent molecule?", 462.55], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Macrophage colony stimulating factor receptor inhibitor"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O": [["What is the polar surface area (PSA) value of this compound?", 108.61], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Please provide a description of this drug's mechanism of action.", "Sodium/glucose cotransporter 2 inhibitor"], ["How many heavy (non-hydrogen) atoms does this compound have?", 31], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["What is the calculated ALogP value for this compound?", 1.61], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 2014], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-gliflozin"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the definition of this compound's USAN stem?", "phlorozin derivatives, phenolic glycosides"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H27ClO7"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 450.92], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1": [["Which USAN substem can this drug or clinical candidate name be matched with?", "-amidis"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Please provide a description of this drug's mechanism of action.", "Transthyretin stabiliser"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the polar surface area (PSA) value of this compound?", 63.33], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["What is the calculated ALogP value for this compound?", 4.5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "Yes"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the first recorded year of approval for this drug?", 2019], ["How many heavy (non-hydrogen) atoms does this compound have?", 20], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the definition of this compound's USAN stem?", "antimyloidotics"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H7Cl2NO3"], ["What is the molecular weight of this compound's parent molecule?", 308.12], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccs3)nnc1-2": [["What is the polar surface area (PSA) value of this compound?", 48.53], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Phosphodiesterase 4 inhibitor"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 3], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["What is the definition of this compound's USAN stem?", "antiasthmatics/antiallergics (not acting primarily as antihistamines): type IV phosphodiesterase"], ["How many hydrogen bond acceptors does this compound have?", 6], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-ast (-milast)"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H21N5S"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the molecular weight of this compound's parent molecule?", 339.47], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 4.1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3cc(-c4ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc3c2)c[nH]1)C(C)C": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["What is the definition of this compound's USAN stem?", "antivirals: nonstructural protein 5A (NS5A) inhibitors"], ["How many rotatable bonds does this compound have?", 10], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 3], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many aromatic rings does this compound have?", 5], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the molecular weight of this compound's parent molecule?", 762.91], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Nonstructural protein 5A inhibitor"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 14], ["What is the molecular formula of this compound, including any salt that it may have?", "C42H50N8O6"], ["What is the polar surface area (PSA) value of this compound?", 174.64], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the calculated ALogP value for this compound?", 6.86], ["How many hydrogen bond acceptors does this compound have?", 8], ["Determine if this compound is a prodrug.", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 56], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-vir (-asvir)"], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the calculated ALogP value for this compound?", 6.65], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["What is the molecular weight of this compound's parent molecule?", 455.48], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 6], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-stat"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 33], ["Please provide a description of this drug's mechanism of action.", "Diacylglycerol O-acyltransferase 1 inhibitor"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the polar surface area (PSA) value of this compound?", 75.11], ["What is the definition of this compound's USAN stem?", "enzyme inhibitors"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H24F3N3O2"], ["How many aromatic rings does this compound have?", 3]], "COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](O)(c3ccccc3Cl)[C@@H]2C(=O)N2CCC[C@H]2C(N)=O)cc1OC": [["What is the calculated ALogP value for this compound?", 3.3], ["What is the polar surface area (PSA) value of this compound?", 139.47], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-apt-; -vaptan"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the definition of this compound's USAN stem?", "aptamers, classical and mirror; vasopressin receptor antagonists"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 620.51], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C28H27Cl2N3O7S"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Please provide a description of this drug's mechanism of action.", "Oxytocin receptor antagonist"], ["How many heavy (non-hydrogen) atoms does this compound have?", 41], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["Please provide a description of this drug's mechanism of action.", "Vasopressin V1a receptor antagonist"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O": [["Please provide a description of this drug's mechanism of action.", "Glutamate [NMDA] receptor antagonist"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is applied topically?", "No"], ["What is the polar surface area (PSA) value of this compound?", 12.47], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Norepinephrine transporter inhibitor"], ["Please provide a description of this drug's mechanism of action.", "Sodium channel alpha subunit blocker"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-drine"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the first recorded year of approval for this drug?", 1959], ["How many hydrogen bond donors does this compound have?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H31NO8"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["Please provide a description of this drug's mechanism of action.", "Histamine H1 receptor antagonist"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the definition of this compound's USAN stem?", "sympathomimetics"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 20], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["What is the molecular weight of this compound's parent molecule?", 269.39], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 3.66], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl": [["Which USAN substem can this drug or clinical candidate name be matched with?", "-cycline"], ["What is the definition of this compound's USAN stem?", "antibiotics (tetracycline derivatives)"], ["What is the polar surface area (PSA) value of this compound?", 181.62], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the first recorded year of approval for this drug?", 1953], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the calculated ALogP value for this compound?", -0.21], ["How many hydrogen bond donors does this compound have?", 6], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H25ClN2O8"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Bacterial 70S ribosome inhibitor"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 9], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many aromatic rings does this compound have?", 1], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["Is this compound an acid, a base, or neutral?", "ZWITTERION"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 444.44]], "CSc1cccc(N(C)C(=N)Nc2cc(SC)ccc2Cl)c1": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the calculated ALogP value for this compound?", 5.27], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H18ClN3S2"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Glutamate [NMDA] receptor blocker"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the molecular weight of this compound's parent molecule?", 351.93], ["What is the polar surface area (PSA) value of this compound?", 39.12], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Clinical Phase unknown"], ["How many heavy (non-hydrogen) atoms does this compound have?", 22]], "C[C@@H](Oc1nnc(-c2ccncc2)n1C)c1cc(-c2cccc(Cl)c2)on1": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "Metabotropic glutamate receptor 5 modulator"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular formula of this compound, including any salt that it may have?", "C19H16ClN5O2"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many heavy (non-hydrogen) atoms does this compound have?", 27], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 381.82], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the calculated ALogP value for this compound?", 4.33], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["How many aromatic rings does this compound have?", 4], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 78.86], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1.O=S(=O)(O)O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many heavy (non-hydrogen) atoms does this compound have?", 31], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib (-trectinib)"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 428.44], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors: tropomyosin receptor kinase (TRK) inhibitors"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["Please provide a description of this drug's mechanism of action.", "Neurotrophic tyrosine kinase receptor inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "Yes"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H24F2N6O6S"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the calculated ALogP value for this compound?", 2.95], ["What is the first recorded year of approval for this drug?", 2018], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3], ["What is the polar surface area (PSA) value of this compound?", 86]], "CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1": [["How many rotatable bonds does this compound have?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the calculated ALogP value for this compound?", 2.5], ["What is the definition of this compound's USAN stem?", "serine/threonine kinase inhibitors"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H30N6O3"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-sertib"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 92.71], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the molecular weight of this compound's parent molecule?", 462.55], ["Please provide a description of this drug's mechanism of action.", "Serine/threonine-protein kinase mTOR inhibitor"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC": [["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the calculated ALogP value for this compound?", 3.63], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 10], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Tyrosine-protein kinase SYK inhibitor"], ["What is the polar surface area (PSA) value of this compound?", 128.75], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H23FN6O5"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 11], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 470.46], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.[Na+]": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Please provide a description of this drug's mechanism of action.", "DNA-directed RNA polymerase inhibitor"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 3], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-mycin; rifa-"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the definition of this compound's USAN stem?", "antibiotics (Streptomyces strain); antibiotics (rifamycin derivatives)"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many hydrogen bond donors does this compound have?", 6], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 4.75], ["What is the polar surface area (PSA) value of this compound?", 201.31], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 12], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 6], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 3], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["What is the molecular formula of this compound, including any salt that it may have?", "C37H46NNaO12"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 13], ["How many heavy (non-hydrogen) atoms does this compound have?", 50], ["What is the molecular weight of this compound's parent molecule?", 697.78], ["What is the first recorded year of approval for this drug?", 2018], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCNc1cccnc1N1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1": [["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the definition of this compound's USAN stem?", "antivirals"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the polar surface area (PSA) value of this compound?", 73.49], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 379.46], ["Please provide a description of this drug's mechanism of action.", "Human immunodeficiency virus type 1 reverse transcriptase inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 2.97], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H25N5O2"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond acceptors does this compound have?", 5], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-vir-"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl.O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many rotatable bonds does this compound have?", 7], ["Please provide a description of this drug's mechanism of action.", "Serotonin 4 (5-HT4) receptor agonist"], ["What is the calculated ALogP value for this compound?", 2], ["What is the molecular weight of this compound's parent molecule?", 299.8], ["How many hydrogen bond acceptors does this compound have?", 4], ["Please provide a description of this drug's mechanism of action.", "Serotonin 3a (5-HT3a) receptor antagonist"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H25Cl2N3O3"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 20], ["How many aromatic rings does this compound have?", 1], ["Determine the type of availability for this drug.", "prescription only"], ["What is the first recorded year of approval for this drug?", 1979], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 67.59], ["Please provide a description of this drug's mechanism of action.", "Dopamine D2 receptor antagonist"]], "CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors does this compound have?", 1], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Norepinephrine transporter inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 21], ["How many aromatic rings does this compound have?", 2], ["What is the polar surface area (PSA) value of this compound?", 12.03], ["What is the first recorded year of approval for this drug?", 1980], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H24ClN"], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 1], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 4.21], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 277.41]], "Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Please provide a description of this drug's mechanism of action.", "Probable protein-cysteine N-palmitoyltransferase porcupine inhibitor"], ["What is the molecular weight of this compound's parent molecule?", 396.45], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the calculated ALogP value for this compound?", 3.79], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["How many aromatic rings does this compound have?", 4], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 93.55], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H20N6O"]], "CCOC(Nc1ccc(C(=O)O)cc1)C(=O)c1ccc(-c2ccccc2)cc1": [["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H21NO4"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the polar surface area (PSA) value of this compound?", 75.63], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["What is the molecular weight of this compound's parent molecule?", 375.42], ["Determine the type of availability for this drug.", "withdrawn"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many rotatable bonds does this compound have?", 8], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Please provide a description of this drug's mechanism of action.", "Unknown"], ["What is the calculated ALogP value for this compound?", 4.71], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1": [["Which USAN substem can this drug or clinical candidate name be matched with?", "-rozole"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the polar surface area (PSA) value of this compound?", 78.29], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular weight of this compound's parent molecule?", 285.31], ["What is the calculated ALogP value for this compound?", 2.66], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["Please provide a description of this drug's mechanism of action.", "Cytochrome P450 19A1 inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the definition of this compound's USAN stem?", "aromatase inhibitors (imidazole/triazole derivatives)"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the first recorded year of approval for this drug?", 1997], ["What is the molecular formula of this compound, including any salt that it may have?", "C17H11N5"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 22], ["How many aromatic rings does this compound have?", 3]], "COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1": [["What is the molecular weight of this compound's parent molecule?", 418.45], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H26N2O7"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the definition of this compound's USAN stem?", "phenylpyridine vasodilators; tricyclic compounds"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 2.97], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Please provide a description of this drug's mechanism of action.", "Voltage-gated L-type calcium channel blocker"], ["Please provide a description of this drug's mechanism of action.", "Mineralocorticoid receptor antagonist"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 8], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the first recorded year of approval for this drug?", 1988], ["Determine if this compound is a prodrug.", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-dipine; -pine"], ["What is the polar surface area (PSA) value of this compound?", 117], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 450.41], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H29Cl2NO3"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["How many rotatable bonds does this compound have?", 6], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["What is the calculated ALogP value for this compound?", 4.75], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["What is the polar surface area (PSA) value of this compound?", 60.77], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Dopamine D1 receptor positive allosteric modulator"]], "C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular weight of this compound's parent molecule?", 429.52], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib (-brutinib)"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors: tyrosine kinase inhibitors Bruton's (Btk) inhibitors"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H27N5O2"], ["What is the polar surface area (PSA) value of this compound?", 93.37], ["What is the calculated ALogP value for this compound?", 4.35], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Tyrosine-protein kinase BTK inhibitor"], ["How many aromatic rings does this compound have?", 3]], "CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H19N5O2"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 21], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the polar surface area (PSA) value of this compound?", 81.4], ["Please provide a description of this drug's mechanism of action.", "GABA receptor beta-3 subunit positive allosteric modulator"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["What is the molecular weight of this compound's parent molecule?", 289.34], ["What is the calculated ALogP value for this compound?", 2.44], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the polar surface area (PSA) value of this compound?", 142.99], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["How many hydrogen bond acceptors does this compound have?", 10], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular weight of this compound's parent molecule?", 370.31], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 11], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "Yes"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C15H18N2O9"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 5], ["How many heavy (non-hydrogen) atoms does this compound have?", 26], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["Please provide a description of this drug's mechanism of action.", "Unknown"], ["What is the calculated ALogP value for this compound?", -1.14], ["What is the first recorded year of approval for this drug?", 2015], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O": [["How many rotatable bonds does this compound have?", 10], ["What is the molecular weight of this compound's parent molecule?", 831.98], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the calculated ALogP value for this compound?", -1.84], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 3], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Integrin alpha-IIb/beta-3 inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 13], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular formula of this compound, including any salt that it may have?", "C35H49N11O9S2"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tide (-fibatide)"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the first recorded year of approval for this drug?", 1998], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 20], ["How many heavy (non-hydrogen) atoms does this compound have?", 57], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["How many hydrogen bond donors does this compound have?", 11], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 3], ["Determine the type of availability for this drug.", "prescription only"], ["What is the polar surface area (PSA) value of this compound?", 323.89], ["What is the definition of this compound's USAN stem?", "peptides: platelet aggregation inhibitor (GPIIb/IIIa receptor antagonist)"], ["Is this compound an acid, a base, or neutral?", "ZWITTERION"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 11], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"]], "Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["How many rotatable bonds does this compound have?", 7], ["What is the calculated ALogP value for this compound?", 5.31], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the molecular weight of this compound's parent molecule?", 478.49], ["Please provide a description of this drug's mechanism of action.", "Peroxisome proliferator-activated receptor alpha agonist"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 33], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H21F3N2O4S"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the polar surface area (PSA) value of this compound?", 88.52], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 13], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 49], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Hepatitis C virus serine protease, NS3/NS4A inhibitor"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 2011], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C36H53N7O6"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-vir (-previr)"], ["What is the definition of this compound's USAN stem?", "antivirals: serine protease inhibitors"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 179.56], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the molecular weight of this compound's parent molecule?", 679.86], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 13], ["What is the calculated ALogP value for this compound?", 2.45], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"], ["How many hydrogen bond donors does this compound have?", 4]], "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the polar surface area (PSA) value of this compound?", 45.59], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors does this compound have?", 4], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular weight of this compound's parent molecule?", 324.42], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Sodium channel alpha subunit blocker"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 1950], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many aromatic rings does this compound have?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C26H36N2O9"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the calculated ALogP value for this compound?", 3.17], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c1ccccc1.Cl": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many heavy (non-hydrogen) atoms does this compound have?", 37], ["What is the calculated ALogP value for this compound?", 2.5], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the polar surface area (PSA) value of this compound?", 136.82], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 15], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-stat (-tiostat)"], ["What is the molecular formula of this compound, including any salt that it may have?", "C27H36ClN3O6S"], ["Please provide a description of this drug's mechanism of action.", "Glutathione S-transferase Pi inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the molecular weight of this compound's parent molecule?", 529.66], ["How many hydrogen bond acceptors does this compound have?", 8], ["Determine if this compound is a prodrug.", "No"], ["What is the definition of this compound's USAN stem?", "enzyme inhibitors: glutathione-s- transferase inhibitors"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.O.O.O.O.[Sr+2]": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["What is the definition of this compound's USAN stem?", "antiulcer agents (benzimidazole derivatives)"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the calculated ALogP value for this compound?", 2.9], ["What is the molecular weight of this compound's parent molecule?", 345.42], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-prazole"], ["Is there a black box warning associated with this drug?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 2013], ["What is the molecular formula of this compound, including any salt that it may have?", "C34H44N6O10S2Sr"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the polar surface area (PSA) value of this compound?", 83.09], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 5], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many hydrogen bond donors does this compound have?", 1], ["Please provide a description of this drug's mechanism of action.", "Potassium-transporting ATPase inhibitor"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"], ["How many aromatic rings does this compound have?", 3]], "O=CN(CC(O)CN(C=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I": [["What is the definition of this compound's USAN stem?", "iodine-containing contrast media"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "io-"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Unknown"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Please provide a description of this drug's mechanism of action.", "Diagnostic"], ["What is the molecular weight of this compound's parent molecule?", 1522.13], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C33H40I6N6O15"]], "CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the molecular weight of this compound's parent molecule?", 1620.69], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-apt-; -mycin"], ["What is the definition of this compound's USAN stem?", "aptamers, classical and mirror; antibiotics (Streptomyces strain)"], ["What is the molecular formula of this compound, including any salt that it may have?", "C72H101N17O26"], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the first recorded year of approval for this drug?", 2003], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"], ["Please provide a description of this drug's mechanism of action.", "Cell membrane inhibitor"]], "CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O": [["Please provide a description of this drug's mechanism of action.", "Sodium/potassium-transporting ATPase inhibitor"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["How many aromatic rings does this compound have?", 0], ["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the definition of this compound's USAN stem?", "fluoroquinolone derivatives, nonantibacterial indication (e.g., antineoplastic antibiotics)"], ["Is there a black box warning associated with this drug?", "No"], ["What is the polar surface area (PSA) value of this compound?", 188.9], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-oxin"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 14], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["What is the molecular formula of this compound, including any salt that it may have?", "C43H66O14"], ["How many heavy (non-hydrogen) atoms does this compound have?", 57], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 8], ["What is the first recorded year of approval for this drug?", 1982], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the calculated ALogP value for this compound?", 3.82], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 806.99], ["How many hydrogen bond acceptors does this compound have?", 14], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCC1(CCC(C)C)C(=O)N=C([O-])NC1=O.[Na+]": [["How many aromatic rings does this compound have?", 0], ["How many rotatable bonds does this compound have?", 4], ["What is the molecular weight of this compound's parent molecule?", 226.28], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the polar surface area (PSA) value of this compound?", 75.27], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the calculated ALogP value for this compound?", 1.18], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-barb-"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Determine the type of availability for this drug.", "withdrawn"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the definition of this compound's USAN stem?", "barbituric acid derivatives"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Please provide a description of this drug's mechanism of action.", "Unknown"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 16], ["What is the molecular formula of this compound, including any salt that it may have?", "C11H17N2NaO3"]], "COCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many heavy (non-hydrogen) atoms does this compound have?", 37], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 505.66], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many hydrogen bond donors does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "No"], ["What is the definition of this compound's USAN stem?", "steriodal compounds acting on progesterone receptors (excluding-gest- compounds); progesterone receptor antagonists"], ["What is the polar surface area (PSA) value of this compound?", 72.91], ["Please provide a description of this drug's mechanism of action.", "Progesterone receptor modulator"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-pris-; -pristone"], ["What is the molecular formula of this compound, including any salt that it may have?", "C31H39NO5"], ["What is the calculated ALogP value for this compound?", 5.17]], "CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "Glucagon-like peptide 1 receptor agonist"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 3751.26], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular formula of this compound, including any salt that it may have?", "C172H265N43O51"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tide (-glutide)"], ["What is the first recorded year of approval for this drug?", 2010], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the definition of this compound's USAN stem?", "peptides: glucagon-like peptide (GLP) analogs"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"]], "NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["Please provide a description of this drug's mechanism of action.", "Histamine H2 receptor antagonist"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular weight of this compound's parent molecule?", 337.46], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the definition of this compound's USAN stem?", "H2-receptor antagonists (cimetidine type)"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the first recorded year of approval for this drug?", 1986], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Determine the type of availability for this drug.", "over the counter"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 20], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tidine"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 8], ["What is the polar surface area (PSA) value of this compound?", 175.83], ["What is the molecular formula of this compound, including any salt that it may have?", "C8H15N7O2S3"], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the calculated ALogP value for this compound?", -0.77]], "CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1": [["What is the calculated ALogP value for this compound?", 2.67], ["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-lutamide"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular weight of this compound's parent molecule?", 398.85], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular formula of this compound, including any salt that it may have?", "C19H19ClN6O2"], ["Is there a black box warning associated with this drug?", "No"], ["What is the polar surface area (PSA) value of this compound?", 119.62], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Please provide a description of this drug's mechanism of action.", "Androgen Receptor antagonist"], ["What is the definition of this compound's USAN stem?", "non-steroid antiandrogens"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the first recorded year of approval for this drug?", 2019], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OC)[C@H]2OC)[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]": [["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Oligosaccharide"], ["What is the definition of this compound's USAN stem?", "antihrombotic indirect selective synthetic factor Xa inhibitors"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 1529.35], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C38H55Na9O49S7"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-parinux"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Please provide a description of this drug's mechanism of action.", "Coagulation factor X inhibitor"], ["Determine if this compound is a prodrug.", "No"]], "CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cnn[nH]4)cc3)c(F)c2)C(=O)O1": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular weight of this compound's parent molecule?", 438.46], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Bacterial 70S ribosome inhibitor"], ["How many hydrogen bond acceptors does this compound have?", 6], ["What is the definition of this compound's USAN stem?", "oxazolidinone antibacterials"], ["What is the polar surface area (PSA) value of this compound?", 112.24], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the calculated ALogP value for this compound?", 2.36], ["How many rotatable bonds does this compound have?", 8], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H23FN6O3"], ["Determine if this compound is a prodrug.", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-zolid"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "COC[C@H]1CN(C(=O)[C@]2(F)CN(C3CCCC3)C[C@H]2c2ccc(OC)cc2)C[C@@H]1c1ccc(C(F)(F)F)cc1N1CCC(C(=O)O)CC1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Please provide a description of this drug's mechanism of action.", "Melanocortin receptor 1 agonist"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-melagon"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["What is the polar surface area (PSA) value of this compound?", 82.55], ["How many hydrogen bond acceptors does this compound have?", 6], ["How many heavy (non-hydrogen) atoms does this compound have?", 48], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C36H45F4N3O5"], ["What is the definition of this compound's USAN stem?", "melanocortin-1 receptor (MC1R) agonists"], ["What is the calculated ALogP value for this compound?", 5.95], ["How many hydrogen bond donors does this compound have?", 1], ["What is the molecular weight of this compound's parent molecule?", 675.76], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular weight of this compound's parent molecule?", 298.39], ["Please provide a description of this drug's mechanism of action.", "Dopamine D1 and D2 receptor agonist"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["What is the polar surface area (PSA) value of this compound?", 50.28], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C17H22N4O"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Determine the type of availability for this drug.", "withdrawn"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["Please provide a description of this drug's mechanism of action.", "Monoamine oxidase A inhibitor"], ["Please provide a description of this drug's mechanism of action.", "Serotonin 2 (5-HT2) receptor"], ["Please provide a description of this drug's mechanism of action.", "Acetylcholinesterase inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the calculated ALogP value for this compound?", 2.2], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Muscarinic acetylcholine receptor M1 agonist"], ["How many heavy (non-hydrogen) atoms does this compound have?", 22]], "CCCCCC1(CCCCC)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1": [["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Please provide a description of this drug's mechanism of action.", "Antioxidant"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 8], ["How many hydrogen bond acceptors does this compound have?", 2], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 388.64], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the calculated ALogP value for this compound?", 7.82], ["What is the polar surface area (PSA) value of this compound?", 29.46], ["What is the molecular formula of this compound, including any salt that it may have?", "C26H44O2"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]": [["How many aromatic rings does this compound have?", 0], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H27Na2O8P"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["What is the calculated ALogP value for this compound?", 1.67], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-olone; pred-"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["Please provide a description of this drug's mechanism of action.", "Glucocorticoid receptor agonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 141.36], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the definition of this compound's USAN stem?", "steroids (not prednisolone derivatives); prednisone and prednisolone derivatives"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the first recorded year of approval for this drug?", 1973], ["What is the molecular weight of this compound's parent molecule?", 440.43], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C": [["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 203.24], ["What is the molecular formula of this compound, including any salt that it may have?", "C9H17NO4"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 14], ["Is it known whether this drug is taken orally?", "No"], ["How many rotatable bonds does this compound have?", 5], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Unknown"], ["What is the polar surface area (PSA) value of this compound?", 66.43], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the calculated ALogP value for this compound?", -1.24]], "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C": [["How many rotatable bonds does this compound have?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H26O2"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Estrogen receptor alpha agonist"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-estr-"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 1961], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["What is the calculated ALogP value for this compound?", 3.92], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the definition of this compound's USAN stem?", "estrogens"], ["Determine the type of availability for this drug.", "prescription only"], ["How many heavy (non-hydrogen) atoms does this compound have?", 23], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 29.46], ["What is the molecular weight of this compound's parent molecule?", 310.44], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "CC(C)OP(=O)(F)OC(C)C": [["How many aromatic rings does this compound have?", 0], ["Determine the type of availability for this drug.", "discontinued"], ["What is the molecular weight of this compound's parent molecule?", 184.15], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the polar surface area (PSA) value of this compound?", 35.53], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular formula of this compound, including any salt that it may have?", "C6H14FO3P"], ["What is the calculated ALogP value for this compound?", 2.91], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 11], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Acetylcholinesterase inhibitor"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the first recorded year of approval for this drug?", 1957]], "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C": [["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors: epidermal growth factor receptor (EGFR) inhibitors"], ["How many rotatable bonds does this compound have?", 10], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 37], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the calculated ALogP value for this compound?", 4.51], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 499.62], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Epidermal growth factor receptor erbB1 inhibitor"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib (-ertinib)"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Determine the type of availability for this drug.", "prescription only"], ["How many aromatic rings does this compound have?", 4], ["What is the molecular formula of this compound, including any salt that it may have?", "C28H33N7O2"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 87.55], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the first recorded year of approval for this drug?", 2015], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=c1[n-]cnc2[nH]ncc12.[Na+]": [["What is the calculated ALogP value for this compound?", 0.06], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["What is the first recorded year of approval for this drug?", 1996], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["What is the molecular formula of this compound, including any salt that it may have?", "C5H3N4NaO"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the molecular weight of this compound's parent molecule?", 136.11], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the polar surface area (PSA) value of this compound?", 74.69], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 10], ["Please provide a description of this drug's mechanism of action.", "Xanthine dehydrogenase inhibitor"]], "Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1": [["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many aromatic rings does this compound have?", 3], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H24N4O2S"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 9], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "Yes"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the polar surface area (PSA) value of this compound?", 100.27], ["Please provide a description of this drug's mechanism of action.", "Beta-3 adrenergic receptor agonist"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the definition of this compound's USAN stem?", "beta3 adrenoreceptor agonists"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 5], ["What is the first recorded year of approval for this drug?", 2012], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-begron"], ["What is the calculated ALogP value for this compound?", 2.77], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 396.52]], "CCN(CC)C(C)C(=O)c1ccccc1.Cl": [["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Norepinephrine transporter inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the first recorded year of approval for this drug?", 1959], ["How many heavy (non-hydrogen) atoms does this compound have?", 15], ["Is there a black box warning associated with this drug?", "No"], ["Please provide a description of this drug's mechanism of action.", "Dopamine transporter inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 5], ["What is the molecular formula of this compound, including any salt that it may have?", "C13H20ClNO"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 20.31], ["What is the molecular weight of this compound's parent molecule?", 205.3], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the calculated ALogP value for this compound?", 2.6]], "CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1": [["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular weight of this compound's parent molecule?", 456.46], ["Please provide a description of this drug's mechanism of action.", "Type-1 angiotensin II receptor antagonist"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many aromatic rings does this compound have?", 5], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-sartan"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 4.19], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H20N4O5"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the definition of this compound's USAN stem?", "angiotensin II receptor antagonists"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the polar surface area (PSA) value of this compound?", 123.24], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the molecular weight of this compound's parent molecule?", 382.53], ["What is the polar surface area (PSA) value of this compound?", 53.17], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Please provide a description of this drug's mechanism of action.", "Serotonin 1d (5-HT1d) receptor agonist"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the definition of this compound's USAN stem?", "antimigraine agents (5-HT1 receptor agonists); sumatriptan derivatives"], ["What is the first recorded year of approval for this drug?", 2002], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 27], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H27BrN2O2S"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-triptan"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Please provide a description of this drug's mechanism of action.", "Serotonin 1b (5-HT1b) receptor agonist"], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the calculated ALogP value for this compound?", 3.82], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Serotonin 1f (5-HT1f) receptor agonist"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CNC[C@H](O)c1ccc(O)c(O)c1": [["What is the polar surface area (PSA) value of this compound?", 72.72], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many heavy (non-hydrogen) atoms does this compound have?", 13], ["What is the molecular weight of this compound's parent molecule?", 183.21], ["Determine the type of availability for this drug.", "over the counter"], ["What is the calculated ALogP value for this compound?", 0.35], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["What is the first recorded year of approval for this drug?", 1976], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C9H13NO3"], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Adrenergic receptor agonist"]], "C[C@@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccccc1": [["Please provide a description of this drug's mechanism of action.", "Melanocortin receptor 4 agonist"], ["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the calculated ALogP value for this compound?", 4.78], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 3], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the molecular weight of this compound's parent molecule?", 470.6], ["Is it known whether this drug is taken orally?", "No"], ["What is the polar surface area (PSA) value of this compound?", 43.78], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C28H36F2N2O2"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O": [["How many aromatic rings does this compound have?", 0], ["Determine the type of availability for this drug.", "discontinued"], ["What is the polar surface area (PSA) value of this compound?", 112.73], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular weight of this compound's parent molecule?", 341.43], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["Please provide a description of this drug's mechanism of action.", "Bacterial penicillin-binding protein inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 0.28], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the definition of this compound's USAN stem?", "penicillins"], ["How many heavy (non-hydrogen) atoms does this compound have?", 23], ["What is the first recorded year of approval for this drug?", 1979], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C15H23N3O4S"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-cillin"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Please provide a description of this drug's mechanism of action.", "Bacterial penicillin-binding protein inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["What is the molecular formula of this compound, including any salt that it may have?", "C19H17ClFN3O5S"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["What is the polar surface area (PSA) value of this compound?", 112.74], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the definition of this compound's USAN stem?", "penicillins"], ["What is the calculated ALogP value for this compound?", 2.69], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the molecular weight of this compound's parent molecule?", 453.88], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-cillin"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C12H16ClN3O3S"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 317.8], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Alpha-1a adrenergic receptor partial agonist"], ["What is the calculated ALogP value for this compound?", 1.4], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["How many heavy (non-hydrogen) atoms does this compound have?", 20], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many rotatable bonds does this compound have?", 5], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the polar surface area (PSA) value of this compound?", 79.79], ["What is the definition of this compound's USAN stem?", "alpha1- and alpha2- adrenoreceptor agonists"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-algron"]], "O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 31], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C17H11F6N7O"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the calculated ALogP value for this compound?", 3.39], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Exportin-1 inhibitor"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["What is the definition of this compound's USAN stem?", "exportin 1 inhibitors"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["What is the molecular weight of this compound's parent molecule?", 443.31], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "Yes"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the polar surface area (PSA) value of this compound?", 97.62], ["What is the first recorded year of approval for this drug?", 2019], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 5], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-nexor"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1": [["What is the molecular weight of this compound's parent molecule?", 422.78], ["What is the polar surface area (PSA) value of this compound?", 17.82], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H12ClF5N2"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 3], ["Please provide a description of this drug's mechanism of action.", "LXR-alpha agonist"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["Please provide a description of this drug's mechanism of action.", "LXR-beta agonist"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the calculated ALogP value for this compound?", 6.7], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many aromatic rings does this compound have?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl": [["How many heavy (non-hydrogen) atoms does this compound have?", 19], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the calculated ALogP value for this compound?", 3.61], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Sodium-(potassium)-chloride cotransporter 2 inhibitor"], ["What is the polar surface area (PSA) value of this compound?", 63.6], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C13H12Cl2O4"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the first recorded year of approval for this drug?", 1967], ["How many aromatic rings does this compound have?", 1], ["What is the molecular weight of this compound's parent molecule?", 303.14], ["Determine the type of availability for this drug.", "prescription only"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C(NCCCOc1ccc2[nH]c(=O)ccc2c1)N(C1CC1)[C@@H]1CCCC[C@H]1O": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 399.49], ["Please provide a description of this drug's mechanism of action.", "Phosphodiesterase 3 inhibitor"], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H29N3O4"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["What is the polar surface area (PSA) value of this compound?", 94.66], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 2.77], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C[C@H](O)C(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C": [["How many aromatic rings does this compound have?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the molecular weight of this compound's parent molecule?", 342.48], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Please provide a description of this drug's mechanism of action.", "Progesterone receptor agonist"], ["What is the definition of this compound's USAN stem?", "progestins"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 2], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-gest-"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the calculated ALogP value for this compound?", 4.15], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H30O3"], ["What is the polar surface area (PSA) value of this compound?", 54.37]], "CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the molecular weight of this compound's parent molecule?", 3765.24], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Glucagon-like peptide 2 receptor agonist"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"], ["What is the molecular formula of this compound, including any salt that it may have?", "C172H263N43O52"]], "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2F)C(=S)N1c1ccc(CCCc2ncco2)nc1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many aromatic rings does this compound have?", 3], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the calculated ALogP value for this compound?", 5.19], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many hydrogen bond donors does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 36], ["How many hydrogen bond acceptors does this compound have?", 6], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Please provide a description of this drug's mechanism of action.", "Androgen Receptor antagonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H19F4N5O2S"], ["What is the molecular weight of this compound's parent molecule?", 517.51], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 86.26]], "NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1": [["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the molecular weight of this compound's parent molecule?", 362.43], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["What is the calculated ALogP value for this compound?", 2.53], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C17H19FN4O2S"], ["Is it known whether this drug is taken orally?", "No"], ["What is the polar surface area (PSA) value of this compound?", 96.25], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 5], ["Please provide a description of this drug's mechanism of action.", "Serine/threonine-protein kinase Chk1 inhibitor"], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1": [["Please provide a description of this drug's mechanism of action.", "Sodium/potassium-transporting ATPase inhibitor"], ["How many aromatic rings does this compound have?", 0], ["Determine the type of availability for this drug.", "discontinued"], ["How many rotatable bonds does this compound have?", 10], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 3], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond acceptors does this compound have?", 19], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular formula of this compound, including any salt that it may have?", "C47H74O19"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many hydrogen bond donors does this compound have?", 9], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the calculated ALogP value for this compound?", 0.04], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 9], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 66], ["Is it known whether this drug is taken orally?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 3], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the first recorded year of approval for this drug?", 1982], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 282.21], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 19], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 943.09]], "CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=C(O)c1ccccc1": [["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the definition of this compound's USAN stem?", "phenylpyridine vasodilators; tricyclic compounds"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C27H31ClN2O7"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 99.88], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Please provide a description of this drug's mechanism of action.", "Voltage-gated L-type calcium channel blocker"], ["What is the first recorded year of approval for this drug?", 2019], ["How many aromatic rings does this compound have?", 1], ["What is the molecular weight of this compound's parent molecule?", 408.88], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 8], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-dipine; -pine"], ["What is the calculated ALogP value for this compound?", 2.27], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many heavy (non-hydrogen) atoms does this compound have?", 37], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["What is the molecular weight of this compound's parent molecule?", 520.5], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular formula of this compound, including any salt that it may have?", "C26H27F3N2O6"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["What is the definition of this compound's USAN stem?", "cystic fibrosis transmembrane regulator (CFTR) protein modulators"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 113.18], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["How many hydrogen bond donors does this compound have?", 4], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Cystic fibrosis transmembrane conductance regulator positive modulator"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 8], ["Is it known whether this drug is taken orally?", "Yes"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-caftor"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the calculated ALogP value for this compound?", 3.4], ["What is the first recorded year of approval for this drug?", 2018], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]": [["How many aromatic rings does this compound have?", 0], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H28FNa2O8P"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the first recorded year of approval for this drug?", 1959], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular weight of this compound's parent molecule?", 472.45], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["Please provide a description of this drug's mechanism of action.", "Glucocorticoid receptor agonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 141.36], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the calculated ALogP value for this compound?", 2.01], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["How many rotatable bonds does this compound have?", 10], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 40], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 15], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H26FN6O9P"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Please provide a description of this drug's mechanism of action.", "Tyrosine-protein kinase SYK inhibitor"], ["What is the definition of this compound's USAN stem?", "phosphoro-derivatives; tyrosine kinase inhibitors"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "fos-; -tinib"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["How many hydrogen bond acceptors does this compound have?", 12], ["How many hydrogen bond donors does this compound have?", 4], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "Yes"], ["What is the calculated ALogP value for this compound?", 3.09], ["Is this compound an acid, a base, or neutral?", "ACID"], ["What is the polar surface area (PSA) value of this compound?", 186.72], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the molecular weight of this compound's parent molecule?", 580.47], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the first recorded year of approval for this drug?", 2018], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"], ["How many aromatic rings does this compound have?", 3]], "N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+]": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["What is the first recorded year of approval for this drug?", 1956], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 650.98], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the calculated ALogP value for this compound?", 3.95], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 92.78], ["How many heavy (non-hydrogen) atoms does this compound have?", 23], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 5], ["What is the molecular formula of this compound, including any salt that it may have?", "C15H11I3NNaO4"], ["Please provide a description of this drug's mechanism of action.", "Thyroid hormone receptor agonist"], ["Is this compound an acid, a base, or neutral?", "ZWITTERION"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CN1C(=O)CC(c2ccccc2)C1=O": [["How many rotatable bonds does this compound have?", 1], ["Determine the type of availability for this drug.", "discontinued"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular formula of this compound, including any salt that it may have?", "C11H11NO2"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 1.16], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Voltage-gated T-type calcium channel blocker"], ["What is the molecular weight of this compound's parent molecule?", 189.21], ["What is the polar surface area (PSA) value of this compound?", 37.38], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 14], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the first recorded year of approval for this drug?", 1982], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O": [["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["How many rotatable bonds does this compound have?", 7], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["What is the definition of this compound's USAN stem?", "peroxisome proliferator activiating receptor (PPAR) agonists (thiazolidene derivatives)"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "Peroxisome proliferator-activated receptor gamma agonist"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["What is the first recorded year of approval for this drug?", 1999], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-glitazone"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many aromatic rings does this compound have?", 2], ["What is the calculated ALogP value for this compound?", 2.49], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H23N3O7S"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 71.53], ["What is the molecular weight of this compound's parent molecule?", 357.44], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "Yes"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CNc1ccc(-c2nc3ccc(O)cc3s2)cc1[18F]": [["How many heavy (non-hydrogen) atoms does this compound have?", 19], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many hydrogen bond acceptors does this compound have?", 4], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Please provide a description of this drug's mechanism of action.", "Diagnostic agent"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H11FN2OS"], ["What is the molecular weight of this compound's parent molecule?", 274.32], ["What is the polar surface area (PSA) value of this compound?", 45.15], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 2013], ["How many hydrogen bond donors does this compound have?", 2], ["What is the calculated ALogP value for this compound?", 3.85], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc([O-])ccc12.[Na+].[Na+]": [["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the polar surface area (PSA) value of this compound?", 72.83], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H10Na2O5"], ["How many rotatable bonds does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the first recorded year of approval for this drug?", 1976], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the molecular weight of this compound's parent molecule?", 332.31], ["What is the calculated ALogP value for this compound?", 2.84], ["How many hydrogen bond donors does this compound have?", 1], ["Please provide a description of this drug's mechanism of action.", "Disclosing agent"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccncc4)c3c2)S1": [["What is the molecular formula of this compound, including any salt that it may have?", "C18H11N3O2S"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 3.62], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Please provide a description of this drug's mechanism of action.", "PI3-kinase class I inhibitor"], ["Is it known whether this drug is taken orally?", "No"], ["What is the molecular weight of this compound's parent molecule?", 333.37], ["How many rotatable bonds does this compound have?", 2], ["What is the polar surface area (PSA) value of this compound?", 71.95], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1.O=C(O)CNC(=O)c1ccccc1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many heavy (non-hydrogen) atoms does this compound have?", 40], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the polar surface area (PSA) value of this compound?", 131.17], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 2017], ["What is the molecular formula of this compound, including any salt that it may have?", "C36H35ClF3N7O6"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-stat (-tristat)"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 9], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many aromatic rings does this compound have?", 4], ["What is the calculated ALogP value for this compound?", 4.99], ["What is the definition of this compound's USAN stem?", "enzyme inhibitors: tryptophan hydroxylase inhibitors"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the molecular weight of this compound's parent molecule?", 574.99], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Tryptophan 5-hydroxylase inhibitor"], ["Determine if this compound is a prodrug.", "Yes"]], "Cl.N#Cc1ccc(C2CCCc3cncn32)cc1": [["How many rotatable bonds does this compound have?", 1], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-rozole"], ["What is the calculated ALogP value for this compound?", 2.68], ["What is the molecular weight of this compound's parent molecule?", 223.28], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Please provide a description of this drug's mechanism of action.", "Cytochrome P450 19A1 inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H14ClN3"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the definition of this compound's USAN stem?", "aromatase inhibitors (imidazole/triazole derivatives)"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 17], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Clinical Phase unknown"], ["What is the polar surface area (PSA) value of this compound?", 41.61]], "O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl": [["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["What is the polar surface area (PSA) value of this compound?", 47.26], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "MAP kinase p38 alpha inhibitor"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 3], ["What is the definition of this compound's USAN stem?", "immunomodulators: mitogen-activated protein (MAP) kinase inhibitors"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 5.49], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C19H9Cl2F2N3OS"], ["How many aromatic rings does this compound have?", 4], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the molecular weight of this compound's parent molecule?", 436.27], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-imod (-mapimod)"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C": [["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the definition of this compound's USAN stem?", "topical steroids (acetal derivatives)"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the calculated ALogP value for this compound?", 4.7], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 39], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Glucocorticoid receptor agonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 99.13], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 5], ["What is the molecular weight of this compound's parent molecule?", 540.7], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C32H44O7"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-onide"], ["What is the first recorded year of approval for this drug?", 2006], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(-c2ccc(O)c(Cl)c2)n1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["How many aromatic rings does this compound have?", 6], ["How many rotatable bonds does this compound have?", 10], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the polar surface area (PSA) value of this compound?", 129.6], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 10], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "MAP kinase p38 alpha inhibitor"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 48], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 700.29], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the calculated ALogP value for this compound?", 7.8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C35H34ClN7O3S2"]], "O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F": [["Please provide a description of this drug's mechanism of action.", "Dual specificity mitogen-activated protein kinase kinase 1 inhibitor"], ["What is the molecular weight of this compound's parent molecule?", 482.2], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["What is the polar surface area (PSA) value of this compound?", 90.82], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H14F3IN2O4"], ["Please provide a description of this drug's mechanism of action.", "Dual specificity mitogen-activated protein kinase kinase 2 inhibitor"], ["What is the calculated ALogP value for this compound?", 2.47], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 26], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors: tyrosine kinase inhibitors; MEK (MAPK kinase) inhibitors"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib (-metinib)"], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1": [["Please provide a description of this drug's mechanism of action.", "Serine/threonine-protein kinase Aurora inhibitor"], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 368.47], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H20N6OS"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 26], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["What is the calculated ALogP value for this compound?", 3.07], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Please provide a description of this drug's mechanism of action.", "Vascular endothelial growth factor receptor 2 inhibitor"], ["What is the polar surface area (PSA) value of this compound?", 89.19], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C": [["How many aromatic rings does this compound have?", 0], ["How many rotatable bonds does this compound have?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["What is the calculated ALogP value for this compound?", 4.43], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the first recorded year of approval for this drug?", 1990], ["Is it known whether this drug is administered parenterally?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the polar surface area (PSA) value of this compound?", 80.67], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Determine the type of availability for this drug.", "over the counter"], ["Please provide a description of this drug's mechanism of action.", "Glucocorticoid receptor agonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H31F3O5S"], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 500.58]], "COc1ccc2cccc(CCNC(C)=O)c2c1": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the molecular weight of this compound's parent molecule?", 243.31], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 18], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Please provide a description of this drug's mechanism of action.", "Serotonin 2c (5-HT2c) receptor antagonist"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the polar surface area (PSA) value of this compound?", 38.33], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Melatonin receptor agonist"], ["What is the calculated ALogP value for this compound?", 2.53], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C15H17NO2"]], "Cn1c(=O)c2c(ncn2C)n(C)c1=O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 0], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", -1.03], ["How many hydrogen bond acceptors does this compound have?", 6], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Determine the type of availability for this drug.", "over the counter"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 61.82], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 14], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C8H10N4O2"], ["Please provide a description of this drug's mechanism of action.", "Adenosine receptor antagonist"], ["What is the molecular weight of this compound's parent molecule?", 194.19], ["What is the first recorded year of approval for this drug?", 1948], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4cccnc43)CC2)ccc1Cl": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["What is the calculated ALogP value for this compound?", 2.83], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the polar surface area (PSA) value of this compound?", 92.17], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 451.92], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Please provide a description of this drug's mechanism of action.", "C-C chemokine receptor type 1 antagonist"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["How many aromatic rings does this compound have?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H22ClN7O2"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COc1cccc2cc(-c3nc([C@H]4CC[C@H](C(=O)O)CC4)n4ncnc(N)c34)[nH]c12": [["What is the molecular weight of this compound's parent molecule?", 406.45], ["How many rotatable bonds does this compound have?", 4], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H22N6O3"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["What is the polar surface area (PSA) value of this compound?", 131.42], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the calculated ALogP value for this compound?", 3.22], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 4], ["Please provide a description of this drug's mechanism of action.", "Serine/threonine-protein kinase mTOR inhibitor"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COC(=O)CCC(=O)CN.Cl": [["How many aromatic rings does this compound have?", 0], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the calculated ALogP value for this compound?", -0.53], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "DNA inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["What is the polar surface area (PSA) value of this compound?", 69.39], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 145.16], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the first recorded year of approval for this drug?", 2004], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C6H12ClNO3"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 10], ["Determine if this compound is a prodrug.", "Yes"]], "C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H13ClF6N6"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "IDH1/IDH2 inhibitor"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the molecular weight of this compound's parent molecule?", 414.74], ["How many aromatic rings does this compound have?", 2], ["What is the definition of this compound's USAN stem?", "mutated isocitrate dehydrogenase (IDH) inhibitors"], ["How many heavy (non-hydrogen) atoms does this compound have?", 27], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 4.31], ["How many hydrogen bond acceptors does this compound have?", 6], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-sidenib"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the polar surface area (PSA) value of this compound?", 75.62], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+]": [["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H14Na2O11"], ["What is the polar surface area (PSA) value of this compound?", 173.71], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 468.37], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 11], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 9], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Determine the type of availability for this drug.", "over the counter"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the calculated ALogP value for this compound?", 2.11], ["How many aromatic rings does this compound have?", 4], ["How many rotatable bonds does this compound have?", 8], ["What is the first recorded year of approval for this drug?", 1982], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["Please provide a description of this drug's mechanism of action.", "Unknown"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1": [["What is the definition of this compound's USAN stem?", "platelet aggregation inhibitors, primarily platelet P2Y12 receptor antagonists"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-grel-"], ["How many heavy (non-hydrogen) atoms does this compound have?", 31], ["How many rotatable bonds does this compound have?", 13], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["What is the polar surface area (PSA) value of this compound?", 85.3], ["What is the calculated ALogP value for this compound?", 3.2], ["Please provide a description of this drug's mechanism of action.", "Serotonin 2a (5-HT2a) receptor antagonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H31NO6"], ["What is the molecular weight of this compound's parent molecule?", 429.51], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl": [["How many aromatic rings does this compound have?", 0], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["What is the polar surface area (PSA) value of this compound?", 0], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the calculated ALogP value for this compound?", 3.64], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 12], ["How many rotatable bonds does this compound have?", 0], ["Is it known whether this drug is applied topically?", "Yes"], ["What is the first recorded year of approval for this drug?", 1974], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 0], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "GABA-A receptor negative allosteric modulator"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 290.83], ["What is the molecular formula of this compound, including any salt that it may have?", "C6H6Cl6"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C([O-])CCCO.O=C([O-])CCCO.[Ca+2]": [["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the polar surface area (PSA) value of this compound?", 57.53], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["What is the first recorded year of approval for this drug?", 2020], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "GABA-B receptor agonist"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the calculated ALogP value for this compound?", -0.16], ["Determine the type of availability for this drug.", "prescription only"], ["What is the molecular weight of this compound's parent molecule?", 104.11], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the molecular formula of this compound, including any salt that it may have?", "C8H14CaO6"], ["How many heavy (non-hydrogen) atoms does this compound have?", 7], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl": [["What is the molecular formula of this compound, including any salt that it may have?", "C23H28ClN3O7"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-cycline"], ["What is the definition of this compound's USAN stem?", "antibiotics (tetracycline derivatives)"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the polar surface area (PSA) value of this compound?", 164.63], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["What is the first recorded year of approval for this drug?", 1971], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 33], ["Please provide a description of this drug's mechanism of action.", "Bacterial 70S ribosome inhibitor"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the calculated ALogP value for this compound?", 0.19], ["How many hydrogen bond acceptors does this compound have?", 9], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 6], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many hydrogen bond donors does this compound have?", 5], ["How many aromatic rings does this compound have?", 1], ["What is the molecular weight of this compound's parent molecule?", 457.48], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Oc1nc(O)c2cn[nH]c2n1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C5H4N4O2"], ["What is the molecular weight of this compound's parent molecule?", 152.11], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 11], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the calculated ALogP value for this compound?", -0.24], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the polar surface area (PSA) value of this compound?", 94.92], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Xanthine dehydrogenase inhibitor"]], "Cc1cc(O[C@@H](CCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["How many rotatable bonds does this compound have?", 10], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the molecular weight of this compound's parent molecule?", 555.64], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 40], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-glivant"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the molecular formula of this compound, including any salt that it may have?", "C32H36F3NO4"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["What is the polar surface area (PSA) value of this compound?", 75.63], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["What is the calculated ALogP value for this compound?", 7.94], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["Please provide a description of this drug's mechanism of action.", "Glucagon receptor antagonist"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the definition of this compound's USAN stem?", "antagonist of the glucagon receptor"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "Cc1c(NCCN2CCCC2)cc(C(=O)CCC(F)(F)F)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["What is the molecular formula of this compound, including any salt that it may have?", "C26H32BrF3N8O"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the calculated ALogP value for this compound?", 4.78], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the polar surface area (PSA) value of this compound?", 93.28], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["How many heavy (non-hydrogen) atoms does this compound have?", 39], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Please provide a description of this drug's mechanism of action.", "Ribosomal protein S6 kinase (P70S6K) inhibitor"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["Please provide a description of this drug's mechanism of action.", "Serine/threonine-protein kinase AKT inhibitor"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 609.5], ["How many aromatic rings does this compound have?", 3]], "CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1": [["How many rotatable bonds does this compound have?", 4], ["What is the polar surface area (PSA) value of this compound?", 76.13], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 27], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is there a black box warning associated with this drug?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Smoothened homolog inhibitor"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C19H14Cl2N2O3S"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "Yes"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the definition of this compound's USAN stem?", "hedgehog signaling inhibitors"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-degib"], ["What is the molecular weight of this compound's parent molecule?", 421.31], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the first recorded year of approval for this drug?", 2012], ["What is the calculated ALogP value for this compound?", 4.71], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CC(OC(=O)c1ccc(Cc2c(O)c3ccccc3oc2=O)cc1)(C(F)(F)F)C(F)(F)F": [["Please provide a description of this drug's mechanism of action.", "Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor"], ["How many rotatable bonds does this compound have?", 4], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H14F6O5"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular weight of this compound's parent molecule?", 460.33], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the polar surface area (PSA) value of this compound?", 76.74], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the definition of this compound's USAN stem?", "warfarin analogs"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["What is the calculated ALogP value for this compound?", 5.13], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-farin"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the molecular formula of this compound, including any salt that it may have?", "C11H12Cl2N2O5"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 1950], ["How many hydrogen bond donors does this compound have?", 3], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the polar surface area (PSA) value of this compound?", 112.7], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Bacterial 70S ribosome inhibitor"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the molecular weight of this compound's parent molecule?", 323.13], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 20], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "Yes"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the calculated ALogP value for this compound?", 0.91], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCCCNC(=N)NC(=N)N": [["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the calculated ALogP value for this compound?", -0.21], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["What is the definition of this compound's USAN stem?", "hypoglycemics (phenformin type)"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 6], ["Determine the type of availability for this drug.", "withdrawn"], ["What is the polar surface area (PSA) value of this compound?", 97.78], ["How many heavy (non-hydrogen) atoms does this compound have?", 11], ["What is the molecular weight of this compound's parent molecule?", 157.22], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many hydrogen bond donors does this compound have?", 5], ["Is it known whether this drug is taken orally?", "No"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "Yes"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-formin"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["Please provide a description of this drug's mechanism of action.", "Unknown"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C6H15N5"]], "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12.O": [["How many aromatic rings does this compound have?", 0], ["Please provide a description of this drug's mechanism of action.", "Vitamin D receptor agonist"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the polar surface area (PSA) value of this compound?", 40.46], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["What is the definition of this compound's USAN stem?", "vitamin D analogs"], ["What is the calculated ALogP value for this compound?", 6.73], ["How many rotatable bonds does this compound have?", 6], ["What is the first recorded year of approval for this drug?", 1980], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["Which USAN substem can this drug or clinical candidate name be matched with?", "calci-"], ["What is the molecular weight of this compound's parent molecule?", 400.65], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C27H46O3"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["How many aromatic rings does this compound have?", 6], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "Tyrosine-protein kinase receptor FLT3 inhibitor"], ["How many heavy (non-hydrogen) atoms does this compound have?", 43], ["Please provide a description of this drug's mechanism of action.", "Platelet-derived growth factor receptor inhibitor"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 2017], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the calculated ALogP value for this compound?", 5.91], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["What is the polar surface area (PSA) value of this compound?", 77.73], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Please provide a description of this drug's mechanism of action.", "Protein kinase C (PKC) inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "Yes"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the molecular weight of this compound's parent molecule?", 570.65], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Vascular endothelial growth factor receptor 2 inhibitor"], ["Please provide a description of this drug's mechanism of action.", "Stem cell growth factor receptor inhibitor"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C35H30N4O4"]], "C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1": [["What is the definition of this compound's USAN stem?", "chemokine (C-X-C motif) receptor 2 (CXCR2) modulators"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Please provide a description of this drug's mechanism of action.", "Interleukin-8 receptor B modulator"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 1.09], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["What is the polar surface area (PSA) value of this compound?", 106.61], ["How many rotatable bonds does this compound have?", 5], ["How many heavy (non-hydrogen) atoms does this compound have?", 23], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Interleukin-8 receptor A modulator"], ["What is the molecular weight of this compound's parent molecule?", 375.35], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C11H12F3NO6S2"], ["How many hydrogen bond donors does this compound have?", 1], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-rixin"]], "CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1": [["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the calculated ALogP value for this compound?", 4.68], ["What is the polar surface area (PSA) value of this compound?", 52.6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the first recorded year of approval for this drug?", 1993], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["How many rotatable bonds does this compound have?", 6], ["Please provide a description of this drug's mechanism of action.", "Peroxisome proliferator-activated receptor alpha agonist"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 360.84], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the definition of this compound's USAN stem?", "antihyperlipidemics (clofibrate type)"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H21ClO4"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-fibrate"]], "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H15N3O6"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 393.36], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tecan"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 1.99], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the polar surface area (PSA) value of this compound?", 124.56], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many rotatable bonds does this compound have?", 2], ["How many hydrogen bond acceptors does this compound have?", 8], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["Please provide a description of this drug's mechanism of action.", "DNA topoisomerase I inhibitor"], ["What is the definition of this compound's USAN stem?", "antineoplastics (camptothecin derivatives)"], ["How many aromatic rings does this compound have?", 3]], "NC(=O)O[C@@H](Cn1ncnn1)c1ccccc1Cl": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C10H10ClN5O2"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-bamate"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 2020], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 18], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the polar surface area (PSA) value of this compound?", 95.92], ["What is the molecular weight of this compound's parent molecule?", 267.68], ["What is the calculated ALogP value for this compound?", 1.16], ["How many hydrogen bond acceptors does this compound have?", 6], ["Please provide a description of this drug's mechanism of action.", "Sodium channel alpha subunit inhibitor"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the definition of this compound's USAN stem?", "tranquilizers/antiepileptics (propanediol and pentanediol groups)"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Please provide a description of this drug's mechanism of action.", "GABA-A receptor; anion channel positive allosteric modulator"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(=O)O.C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O": [["What is the definition of this compound's USAN stem?", "peptides: inhibition of growth hormone release"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tide (-reotide)"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular weight of this compound's parent molecule?", 1019.26], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Somatostatin receptor agonist"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C51H70N10O12S2"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the first recorded year of approval for this drug?", 1988], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"]], "C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["How many rotatable bonds does this compound have?", 10], ["What is the polar surface area (PSA) value of this compound?", 188.45], ["What is the definition of this compound's USAN stem?", "iodine-containing contrast media"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "io-"], ["How many heavy (non-hydrogen) atoms does this compound have?", 31], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 3], ["Is it known whether this drug is applied topically?", "No"], ["What is the calculated ALogP value for this compound?", -1.01], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Please provide a description of this drug's mechanism of action.", "Diagnostic agent"], ["What is the molecular weight of this compound's parent molecule?", 777.09], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 11], ["What is the molecular formula of this compound, including any salt that it may have?", "C17H22I3N3O8"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 8], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the first recorded year of approval for this drug?", 1985], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 8], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.Cl.Cl.O.O": [["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the calculated ALogP value for this compound?", 3.47], ["What is the polar surface area (PSA) value of this compound?", 43.86], ["How many aromatic rings does this compound have?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Please provide a description of this drug's mechanism of action.", "Serotonin 2a (5-HT2a) receptor antagonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the first recorded year of approval for this drug?", 1970], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 443.64], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["Please provide a description of this drug's mechanism of action.", "Dopamine D2 receptor antagonist"], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H35Cl2N3O4S2"]], "C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)[O-])[C@@H](CCC(=O)[O-])[C@@H]3C.[Na+].[Na+].[Na+].[Na+]": [["Please provide a description of this drug's mechanism of action.", "Photosensitizing agent"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 52], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-porfin"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the definition of this compound's USAN stem?", "benzoporphyrin derivatives"], ["How many rotatable bonds does this compound have?", 12], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 14], ["What is the polar surface area (PSA) value of this compound?", 235.66], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 3], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["What is the molecular weight of this compound's parent molecule?", 711.77], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 4], ["What is the molecular formula of this compound, including any salt that it may have?", "C38H37N5Na4O9"], ["What is the calculated ALogP value for this compound?", 5.95], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many hydrogen bond donors does this compound have?", 7], ["How many aromatic rings does this compound have?", 3]], "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.Cl.O": [["What is the molecular formula of this compound, including any salt that it may have?", "C16H20ClN3O5S"], ["Determine the type of availability for this drug.", "discontinued"], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the first recorded year of approval for this drug?", 1987], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["Please provide a description of this drug's mechanism of action.", "Bacterial penicillin-binding protein inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the calculated ALogP value for this compound?", 0.44], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 347.4], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the polar surface area (PSA) value of this compound?", 112.73], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCCNc1nc(Nc2ccc(C#N)cc2)ncc1C#CCCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 13], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the calculated ALogP value for this compound?", 3.13], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "Tyrosine-protein kinase receptor FLT3 inhibitor"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 39], ["What is the molecular formula of this compound, including any salt that it may have?", "C29H38N8O2"], ["What is the polar surface area (PSA) value of this compound?", 126.28], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 1 Clinical Trials"], ["What is the molecular weight of this compound's parent molecule?", 530.68], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 46], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "Lipid peroxidation inhibitor"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the molecular weight of this compound's parent molecule?", 624.87], ["How many hydrogen bond donors does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 6], ["What is the polar surface area (PSA) value of this compound?", 72.88], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C38H52N6O2"], ["What is the calculated ALogP value for this compound?", 5.46], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1": [["Please provide a description of this drug's mechanism of action.", "c-Jun N-terminal kinase 1 inhibitor"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the definition of this compound's USAN stem?", "serine/threonine kinase inhibitors"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H23F3N6O2"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 448.45], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-sertib"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Please provide a description of this drug's mechanism of action.", "c-Jun N-terminal kinase 2 inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the polar surface area (PSA) value of this compound?", 97.12], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["Please provide a description of this drug's mechanism of action.", "c-Jun N-terminal kinase 3 inhibitor"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 3.66], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "COc1ccc2c(Oc3ccc4c(C(=O)Nc5ccccc5N)cccc4c3)ccnc2c1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the definition of this compound's USAN stem?", "serine/threonine kinase inhibitors"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the calculated ALogP value for this compound?", 6.02], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["How many aromatic rings does this compound have?", 5], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-sertib"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 33], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 86.47], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Serine/threonine-protein kinase Aurora-B inhibitor"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the molecular weight of this compound's parent molecule?", 435.48], ["Please provide a description of this drug's mechanism of action.", "Vascular endothelial growth factor receptor inhibitor"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C27H21N3O3"]], "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1": [["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["What is the first recorded year of approval for this drug?", 1975], ["What is the polar surface area (PSA) value of this compound?", 17.82], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Cytochrome P450 51 inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["What is the calculated ALogP value for this compound?", 5.38], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H17ClN2"], ["Determine the type of availability for this drug.", "over the counter"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many aromatic rings does this compound have?", 4], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the molecular weight of this compound's parent molecule?", 344.85], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCOc1ccc(Cc2cc([C@@]34OC[C@@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1F": [["What is the polar surface area (PSA) value of this compound?", 108.61], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Please provide a description of this drug's mechanism of action.", "Sodium/glucose cotransporter 2 inhibitor"], ["How many heavy (non-hydrogen) atoms does this compound have?", 31], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-gliflozin"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 1.5], ["What is the definition of this compound's USAN stem?", "phlorozin derivatives, phenolic glycosides"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 454.88], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H24ClFO7"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\\C(=O)O": [["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the polar surface area (PSA) value of this compound?", 68.36], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-erg-; -vin-"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the calculated ALogP value for this compound?", 1.92], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["What is the molecular weight of this compound's parent molecule?", 339.44], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the definition of this compound's USAN stem?", "ergot alkaloid deriviatives; vinca alkaloids"], ["How many hydrogen bond acceptors does this compound have?", 3], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the first recorded year of approval for this drug?", 1946], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Please provide a description of this drug's mechanism of action.", "Serotonin 2b (5-HT2b) receptor partial agonist"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H29N3O6"], ["Please provide a description of this drug's mechanism of action.", "Dopamine D1 receptor antagonist"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1": [["What is the molecular weight of this compound's parent molecule?", 279.19], ["What is the calculated ALogP value for this compound?", -1.66], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Please provide a description of this drug's mechanism of action.", "Human herpesvirus 1 DNA polymerase inhibitor"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the first recorded year of approval for this drug?", 1996], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-vir"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the definition of this compound's USAN stem?", "antivirals"], ["What is the molecular formula of this compound, including any salt that it may have?", "C8H14N3O6P"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 18], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Determine the type of availability for this drug.", "prescription only"], ["What is the polar surface area (PSA) value of this compound?", 147.9], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 5], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the polar surface area (PSA) value of this compound?", 40.46], ["Please provide a description of this drug's mechanism of action.", "Estrogen receptor alpha agonist"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 0], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["What is the calculated ALogP value for this compound?", 3.61], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the first recorded year of approval for this drug?", 2001], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Which USAN substem can this drug or clinical candidate name be matched with?", "estr-"], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the definition of this compound's USAN stem?", "estrogens"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the molecular weight of this compound's parent molecule?", 296.41], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H24O2"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 22]], "Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the calculated ALogP value for this compound?", 3.72], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["What is the polar surface area (PSA) value of this compound?", 83.21], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the definition of this compound's USAN stem?", "enzyme inhibitors: xanthine oxidase/dehydrogenase inhibitors"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 5], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the molecular weight of this compound's parent molecule?", 316.38], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H16N2O3S"], ["What is the first recorded year of approval for this drug?", 2009], ["How many hydrogen bond donors does this compound have?", 1], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-stat (-xostat)"], ["Please provide a description of this drug's mechanism of action.", "Xanthine dehydrogenase inhibitor"], ["How many heavy (non-hydrogen) atoms does this compound have?", 22]], "CCNC(=O)[C@H]1C[C@@](F)(c2ccc(CN3CCCC3)c(F)c2)C1": [["What is the molecular weight of this compound's parent molecule?", 322.4], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the calculated ALogP value for this compound?", 3.13], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the polar surface area (PSA) value of this compound?", 32.34], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H24F2N2O"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 23], ["Please provide a description of this drug's mechanism of action.", "Histamine H3 receptor antagonist"], ["How many rotatable bonds does this compound have?", 5], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)C(O)C(O)C(=O)O": [["How many heavy (non-hydrogen) atoms does this compound have?", 19], ["What is the molecular formula of this compound, including any salt that it may have?", "C34H56N2O12"], ["What is the first recorded year of approval for this drug?", 1978], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is applied topically?", "No"], ["What is the calculated ALogP value for this compound?", 1.61], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 50.72], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular weight of this compound's parent molecule?", 267.37], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many rotatable bonds does this compound have?", 9], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-olol"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Beta-1 adrenergic receptor antagonist"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the definition of this compound's USAN stem?", "beta-blockers (propranolol type)"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1.Cl.Cl": [["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Please provide a description of this drug's mechanism of action.", "Sodium/hydrogen exchanger 3 inhibitor"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the molecular weight of this compound's parent molecule?", 1145.07], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the definition of this compound's USAN stem?", "sodium-hydrogen antiporter (also called sodium-proton exchanger) inhibitors"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 2019], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-napanor"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C50H68Cl6N8O10S2"]], "OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO": [["How many aromatic rings does this compound have?", 0], ["Please provide a description of this drug's mechanism of action.", "Lysosomal alpha-glucosidase inhibitor"], ["What is the calculated ALogP value for this compound?", -3.26], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the first recorded year of approval for this drug?", 1996], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 6], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Maltase-glucoamylase inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many hydrogen bond donors does this compound have?", 5], ["How many heavy (non-hydrogen) atoms does this compound have?", 14], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 207.23], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 5], ["What is the polar surface area (PSA) value of this compound?", 104.39], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C8H17NO5"]], "COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.O=C(O)/C=C/C(=O)O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 19], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular weight of this compound's parent molecule?", 551.77], ["How many hydrogen bond acceptors does this compound have?", 7], ["What is the polar surface area (PSA) value of this compound?", 146.13], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["What is the calculated ALogP value for this compound?", 3.29], ["How many heavy (non-hydrogen) atoms does this compound have?", 39], ["What is the molecular formula of this compound, including any salt that it may have?", "C64H110N6O16"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 6], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 2007], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "Yes"], ["How many aromatic rings does this compound have?", 1], ["Please provide a description of this drug's mechanism of action.", "Renin inhibitor"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-kiren"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 4], ["What is the definition of this compound's USAN stem?", "renin inhibitors"]], "CN1CCC[C@H]1c1cccnc1": [["How many rotatable bonds does this compound have?", 1], ["What is the first recorded year of approval for this drug?", 1984], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the calculated ALogP value for this compound?", 1.85], ["How many heavy (non-hydrogen) atoms does this compound have?", 12], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C10H14N2"], ["Determine the type of availability for this drug.", "over the counter"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 16.13], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["Please provide a description of this drug's mechanism of action.", "Neuronal acetylcholine receptor; alpha4/beta2 agonist"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 162.24], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cl.N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the polar surface area (PSA) value of this compound?", 92.81], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-racil"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the molecular weight of this compound's parent molecule?", 242.67], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["What is the calculated ALogP value for this compound?", 0.29], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the definition of this compound's USAN stem?", "uracil type antineoplastics"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["Please provide a description of this drug's mechanism of action.", "Thymidine phosphorylase inhibitor"], ["What is the molecular formula of this compound, including any salt that it may have?", "C9H12Cl2N4O2"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the first recorded year of approval for this drug?", 2015], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 16]], "O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1": [["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-pirdine"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the calculated ALogP value for this compound?", 2.48], ["What is the molecular formula of this compound, including any salt that it may have?", "C19H19N3O2S"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 3], ["What is the molecular weight of this compound's parent molecule?", 353.45], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the definition of this compound's USAN stem?", "serotonin 5-HT6 receptor inhibitors"], ["Please provide a description of this drug's mechanism of action.", "Serotonin 6 (5-HT6) receptor antagonist"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 62.3], ["How many aromatic rings does this compound have?", 3]], "CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O": [["What is the calculated ALogP value for this compound?", 2.92], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 25.36], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Please provide a description of this drug's mechanism of action.", "Histamine H1 receptor antagonist"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Determine the type of availability for this drug.", "over the counter"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H28N2O5"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 20], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 270.38], ["What is the first recorded year of approval for this drug?", 1948], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCOC(=O)OC[C@H]1O[C@@H](Oc2ccccc2Cc2ccc(OC)cc2)[C@H](O)[C@@H](O)[C@@H]1O": [["What is the molecular weight of this compound's parent molecule?", 448.47], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Please provide a description of this drug's mechanism of action.", "Sodium/glucose cotransporter 2 inhibitor"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-erg-; -gliflozin"], ["What is the definition of this compound's USAN stem?", "ergot alkaloid deriviatives; phlorozin derivatives, phenolic glycosides"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the polar surface area (PSA) value of this compound?", 123.91], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H28O9"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 9], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the calculated ALogP value for this compound?", 1.65], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 8], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Clinical Phase unknown"]], "CN1CCN2c3ncccc3Cc3ccccc3[C@H]2C1.O=C(O)/C=C\\C(=O)O": [["What is the molecular formula of this compound, including any salt that it may have?", "C21H23N3O4"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-pine"], ["What is the definition of this compound's USAN stem?", "tricyclic compounds"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many hydrogen bond donors does this compound have?", 0], ["What is the calculated ALogP value for this compound?", 2.48], ["What is the polar surface area (PSA) value of this compound?", 19.37], ["How many rotatable bonds does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["What is the molecular weight of this compound's parent molecule?", 265.36], ["Please provide a description of this drug's mechanism of action.", "Serotonin 2c (5-HT2c) receptor antagonist"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Please provide a description of this drug's mechanism of action.", "Histamine H1 receptor antagonist"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Serotonin 2a (5-HT2a) receptor antagonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 20], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Adrenergic receptor alpha-2 antagonist"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC[N+](C)(C)Cc1ccccc1Br.Cc1ccc(S(=O)(=O)[O-])cc1": [["What is the calculated ALogP value for this compound?", 3.05], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["What is the polar surface area (PSA) value of this compound?", 0], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the first recorded year of approval for this drug?", 1986], ["How many hydrogen bond acceptors does this compound have?", 0], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Norepinephrine transporter substrate"], ["What is the definition of this compound's USAN stem?", "quaternary ammonium derivatives"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 243.17], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H24BrNO3S"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-ium"], ["How many heavy (non-hydrogen) atoms does this compound have?", 13], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cc1ccc(/C(=C\\CN2CCCC2)c2ccccn2)cc1.Cl.O": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 21], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["What is the molecular weight of this compound's parent molecule?", 278.4], ["Please provide a description of this drug's mechanism of action.", "Histamine H1 receptor antagonist"], ["What is the first recorded year of approval for this drug?", 1983], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C19H25ClN2O"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 16.13], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the calculated ALogP value for this compound?", 3.92], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CN[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C": [["How many rotatable bonds does this compound have?", 1], ["What is the calculated ALogP value for this compound?", 2.42], ["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many hydrogen bond acceptors does this compound have?", 1], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Please provide a description of this drug's mechanism of action.", "Neuronal acetylcholine receptor; alpha4/beta2 antagonist"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 12], ["What is the molecular formula of this compound, including any salt that it may have?", "C11H21N"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the polar surface area (PSA) value of this compound?", 12.03], ["What is the molecular weight of this compound's parent molecule?", 167.3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 1], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OP(C)(C)=O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C": [["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 3], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 15], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the definition of this compound's USAN stem?", "immunosuppressives"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the polar surface area (PSA) value of this compound?", 201.5], ["What is the molecular weight of this compound's parent molecule?", 990.22], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["What is the molecular formula of this compound, including any salt that it may have?", "C53H84NO14P"], ["How many heavy (non-hydrogen) atoms does this compound have?", 69], ["Is it known whether this drug is taken orally?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 3], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 8], ["Please provide a description of this drug's mechanism of action.", "Serine/threonine-protein kinase mTOR inhibitor"], ["What is the calculated ALogP value for this compound?", 7.74], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond acceptors does this compound have?", 14], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-imus"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["What is the definition of this compound's USAN stem?", "multidrug resistance inhibitors: quinoline derivatives"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["What is the molecular weight of this compound's parent molecule?", 646.74], ["How many aromatic rings does this compound have?", 5], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C38H38N4O6"], ["What is the calculated ALogP value for this compound?", 6.37], ["How many heavy (non-hydrogen) atoms does this compound have?", 48], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Please provide a description of this drug's mechanism of action.", "P-glycoprotein 1 inhibitor"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-dar (-quidar)"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 11], ["How many hydrogen bond acceptors does this compound have?", 8], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the polar surface area (PSA) value of this compound?", 111.25], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1": [["Which USAN substem can this drug or clinical candidate name be matched with?", "-lisib"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the polar surface area (PSA) value of this compound?", 107.55], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the calculated ALogP value for this compound?", 2.15], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 513.65], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 9], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "PI3-kinase class I inhibitor"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["How many aromatic rings does this compound have?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 35], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H27N7O3S2"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 10], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the definition of this compound's USAN stem?", "phosphatidylinositol 3-kinase (PI3K) inhibitors"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cc1ccc(S(=O)(=O)O)cc1.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.O": [["Please provide a description of this drug's mechanism of action.", "Poly [ADP-ribose] polymerase-1 inhibitor"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["What is the definition of this compound's USAN stem?", "poly-ADP-ribose polymerase inhibitors"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-parib"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 2017], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 72.94], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the molecular weight of this compound's parent molecule?", 320.4], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C26H30N4O5S"], ["Please provide a description of this drug's mechanism of action.", "Poly [ADP-ribose] polymerase 2 inhibitor"], ["What is the calculated ALogP value for this compound?", 2.59], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1.CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O": [["How many rotatable bonds does this compound have?", 1], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the calculated ALogP value for this compound?", 1.53], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Dihydrofolate reductase inhibitor"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many heavy (non-hydrogen) atoms does this compound have?", 17], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 251.72], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the molecular formula of this compound, including any salt that it may have?", "C45H44Cl2N10O6"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 80]], "CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many heavy (non-hydrogen) atoms does this compound have?", 37], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors does this compound have?", 4], ["What is the molecular weight of this compound's parent molecule?", 512.57], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "Orexin receptor antagonist"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C29H31F3N2O3"], ["What is the calculated ALogP value for this compound?", 5.74], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 8], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 50.8], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CC[C@]1(c2cccc(NS(C)(=O)=O)c2)[C@@H]2CN(CC3(O)Cc4ccccc4C3)C[C@@H]21": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 426.58], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the calculated ALogP value for this compound?", 2.8], ["What is the polar surface area (PSA) value of this compound?", 69.64], ["How many aromatic rings does this compound have?", 2], ["How many rotatable bonds does this compound have?", 6], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C24H30N2O3S"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Please provide a description of this drug's mechanism of action.", "Mu opioid receptor antagonist"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1.[Na+]": [["What is the molecular weight of this compound's parent molecule?", 454.52], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 12], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Please provide a description of this drug's mechanism of action.", "Bacterial penicillin-binding protein inhibitor"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", -0.64], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "cef-"], ["How many hydrogen bond acceptors does this compound have?", 12], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the first recorded year of approval for this drug?", 1973], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["What is the polar surface area (PSA) value of this compound?", 156.09], ["What is the definition of this compound's USAN stem?", "cephalosporins"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H13N8NaO4S3"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["What is the first recorded year of approval for this drug?", 1969], ["How many aromatic rings does this compound have?", 0], ["Determine the type of availability for this drug.", "discontinued"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond acceptors does this compound have?", 16], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 3.62], ["How many rotatable bonds does this compound have?", 9], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-mycin"], ["How many heavy (non-hydrogen) atoms does this compound have?", 57], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the definition of this compound's USAN stem?", "antibiotics (Streptomyces strain)"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 184.19], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 16], ["What is the molecular formula of this compound, including any salt that it may have?", "C41H67NO15"], ["Please provide a description of this drug's mechanism of action.", "70S ribosome inhibitor"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 813.98]], "Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1": [["How many heavy (non-hydrogen) atoms does this compound have?", 25], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the calculated ALogP value for this compound?", 0.39], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the definition of this compound's USAN stem?", "dipeptidyl aminopeptidase-IV inhibitors"], ["What is the molecular weight of this compound's parent molecule?", 339.4], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H27N5O4"], ["What is the polar surface area (PSA) value of this compound?", 97.05], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 2013], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Please provide a description of this drug's mechanism of action.", "Dipeptidyl peptidase IV inhibitor"], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-gliptin"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)/C=C/C(=O)O": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["What is the calculated ALogP value for this compound?", 4.01], ["What is the first recorded year of approval for this drug?", 1999], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 0], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["How many hydrogen bond acceptors does this compound have?", 3], ["Please provide a description of this drug's mechanism of action.", "Histamine H1 receptor antagonist"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Determine the type of availability for this drug.", "over the counter"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the molecular weight of this compound's parent molecule?", 309.43], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the molecular formula of this compound, including any salt that it may have?", "C23H23NO5S"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 20.31], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"], ["How many heavy (non-hydrogen) atoms does this compound have?", 22]], "O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 42], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 9], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "ACID"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-trombopag"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the molecular formula of this compound, including any salt that it may have?", "C29H34Cl2N6O3S2"], ["Please provide a description of this drug's mechanism of action.", "Thrombopoietin receptor agonist"], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the definition of this compound's USAN stem?", "thrombopoetin agonists"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the polar surface area (PSA) value of this compound?", 101.9], ["What is the calculated ALogP value for this compound?", 6.58], ["What is the first recorded year of approval for this drug?", 2018], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular weight of this compound's parent molecule?", 649.67], ["How many aromatic rings does this compound have?", 3]], "CCOC(=O)[C@@H]1CC2(CCN(c3cc(O[C@H](c4ccc(Cl)cc4-c4ccccc4)C(F)(F)F)nc(N)n3)CC2)CN1": [["What is the polar surface area (PSA) value of this compound?", 102.6], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular weight of this compound's parent molecule?", 590.05], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-stat (-tristat)"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 8], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the calculated ALogP value for this compound?", 5.57], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["Please provide a description of this drug's mechanism of action.", "Tryptophan 5-hydroxylase 1 inhibitor"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the definition of this compound's USAN stem?", "enzyme inhibitors: tryptophan hydroxylase inhibitors"], ["How many heavy (non-hydrogen) atoms does this compound have?", 41], ["How many hydrogen bond acceptors does this compound have?", 8], ["What is the molecular formula of this compound, including any salt that it may have?", "C29H31ClF3N5O3"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"], ["How many aromatic rings does this compound have?", 3]], "CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1": [["How many rotatable bonds does this compound have?", 1], ["What is the polar surface area (PSA) value of this compound?", 72.72], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["What is the molecular weight of this compound's parent molecule?", 305.76], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Dopamine D1 receptor agonist"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the calculated ALogP value for this compound?", 2.73], ["Is there a black box warning associated with this drug?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 21], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the first recorded year of approval for this drug?", 1997], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C17H20ClNO6S"]], "Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F": [["What is the polar surface area (PSA) value of this compound?", 89.26], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the definition of this compound's USAN stem?", "prostaglandin receptor antagonists, non prostinoid structure"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 3.44], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-piprant"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many rotatable bonds does this compound have?", 5], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["What is the molecular formula of this compound, including any salt that it may have?", "C19H17F3N2O4S"], ["What is the molecular weight of this compound's parent molecule?", 426.42], ["Please provide a description of this drug's mechanism of action.", "G protein-coupled receptor 44 antagonist"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H](C/C=C\\CCCC(=O)O)[C@@H](O)C[C@H]1O.NC(CO)(CO)CO": [["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Prostanoid FP receptor agonist"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-prost"], ["How many rotatable bonds does this compound have?", 12], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the polar surface area (PSA) value of this compound?", 97.99], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 368.51], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the first recorded year of approval for this drug?", 1979], ["How many heavy (non-hydrogen) atoms does this compound have?", 26], ["What is the calculated ALogP value for this compound?", 3.43], ["What is the definition of this compound's USAN stem?", "prostaglandins"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H47NO8"]], "CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1": [["What is the molecular weight of this compound's parent molecule?", 279.34], ["Determine the type of availability for this drug.", "discontinued"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "DNA inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["What is the first recorded year of approval for this drug?", 1980], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H21N3O3"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many heavy (non-hydrogen) atoms does this compound have?", 20], ["How many aromatic rings does this compound have?", 1], ["How many rotatable bonds does this compound have?", 5], ["What is the calculated ALogP value for this compound?", 1.81], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 87.43]], "Cc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCOCC3)CC2)cc(C)c1O": [["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 46], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Please provide a description of this drug's mechanism of action.", "Calcitonin gene-related peptide type 1 receptor antagonist"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C35H47N5O6"], ["What is the molecular weight of this compound's parent molecule?", 633.79], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 11], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the polar surface area (PSA) value of this compound?", 114.89], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["What is the calculated ALogP value for this compound?", 3.93], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O.O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1": [["What is the molecular weight of this compound's parent molecule?", 279.34], ["How many rotatable bonds does this compound have?", 4], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C13H23N5O3"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["What is the definition of this compound's USAN stem?", "ionotropic non-NMDA (N-methyl D-aspartate) glutamate receptors [AMPA (alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptor) and/or KA (kainite antagonist) receptors]: antagonists"], ["What is the polar surface area (PSA) value of this compound?", 103.79], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 0.61], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Glutamate receptor ionotropic AMPA antagonist"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Glutamate receptor ionotropic kainate antagonist"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["How many heavy (non-hydrogen) atoms does this compound have?", 20], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-ampa- (-ampanel)"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C(=C/c1ccccc1)\\CN1CCN(C(c2ccccc2)c2ccccc2)CC1": [["What is the calculated ALogP value for this compound?", 5.11], ["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular weight of this compound's parent molecule?", 368.52], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["Please provide a description of this drug's mechanism of action.", "Histamine H1 receptor antagonist"], ["What is the molecular formula of this compound, including any salt that it may have?", "C26H28N2"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Please provide a description of this drug's mechanism of action.", "Voltage-gated L-type calcium channel blocker"], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 6.48], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1": [["What is the molecular weight of this compound's parent molecule?", 393.47], ["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H19N3O3S"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Please provide a description of this drug's mechanism of action.", "Cyclooxygenase-2 inhibitor"], ["How many hydrogen bond donors does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["What is the polar surface area (PSA) value of this compound?", 73.56], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", 3.87], ["How many hydrogen bond acceptors does this compound have?", 6], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many rotatable bonds does this compound have?", 5], ["How many aromatic rings does this compound have?", 4], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cl": [["What is the molecular formula of this compound, including any salt that it may have?", "C22H24ClN3O4"], ["How many rotatable bonds does this compound have?", 10], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond acceptors does this compound have?", 7], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tinib"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the polar surface area (PSA) value of this compound?", 74.73], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Epidermal growth factor receptor erbB1 inhibitor"], ["What is the first recorded year of approval for this drug?", 2004], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the definition of this compound's USAN stem?", "tyrosine kinase inhibitors"], ["What is the molecular weight of this compound's parent molecule?", 393.44], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many heavy (non-hydrogen) atoms does this compound have?", 29], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 3.41], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["How many aromatic rings does this compound have?", 6], ["How many rotatable bonds does this compound have?", 10], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 9], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the calculated ALogP value for this compound?", 6.52], ["What is the molecular formula of this compound, including any salt that it may have?", "C36H31F2N5O4S"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 667.74], ["How many heavy (non-hydrogen) atoms does this compound have?", 48], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Please provide a description of this drug's mechanism of action.", "Gonadotropin-releasing hormone receptor antagonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["Is it known whether this drug is taken orally?", "No"], ["What is the polar surface area (PSA) value of this compound?", 97.6], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-golix"], ["How many hydrogen bond acceptors does this compound have?", 8], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the definition of this compound's USAN stem?", "gonadotropin releasing hormone (GnRH) receptor antagonists (nonpeptide)"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the calculated ALogP value for this compound?", 3.74], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Please provide a description of this drug's mechanism of action.", "Orexin receptor 1 antagonist"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 2020], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 6], ["How many heavy (non-hydrogen) atoms does this compound have?", 30], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Please provide a description of this drug's mechanism of action.", "Orexin receptor 2 antagonist"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many hydrogen bond donors does this compound have?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C22H20F2N4O2"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 77], ["What is the molecular weight of this compound's parent molecule?", 410.42], ["How many aromatic rings does this compound have?", 3]], "N[14C](N)=O": [["How many aromatic rings does this compound have?", 0], ["What is the molecular weight of this compound's parent molecule?", 60.06], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["How many hydrogen bond acceptors does this compound have?", 1], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many rotatable bonds does this compound have?", 0], ["Is there a black box warning associated with this drug?", "No"], ["Please provide a description of this drug's mechanism of action.", "Diagnostic agent"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the calculated ALogP value for this compound?", -0.98], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 69.11], ["What is the first recorded year of approval for this drug?", 1997], ["What is the molecular formula of this compound, including any salt that it may have?", "CH4N2O"], ["How many heavy (non-hydrogen) atoms does this compound have?", 4], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.O": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["What is the polar surface area (PSA) value of this compound?", 50.36], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the definition of this compound's USAN stem?", "tachykinin (neurokinin) receptor antagonists: NK1 receptor antagonists"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H29ClF6N2O3"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 500.48], ["How many hydrogen bond donors does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 5], ["What is the calculated ALogP value for this compound?", 5.73], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Please provide a description of this drug's mechanism of action.", "Neurokinin 1 receptor antagonist"], ["How many heavy (non-hydrogen) atoms does this compound have?", 35], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the first recorded year of approval for this drug?", 2015], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tant (-pitant)"]], "C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC.O": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["How many aromatic rings does this compound have?", 0], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many rotatable bonds does this compound have?", 7], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Is it known whether this drug is administered parenterally?", "Yes"], ["What is the molecular formula of this compound, including any salt that it may have?", "C44H71NO13"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["What is the definition of this compound's USAN stem?", "immunosuppressives"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "FK506-binding protein 1A inhibitor"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the polar surface area (PSA) value of this compound?", 178.36], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["How many hydrogen bond acceptors does this compound have?", 12], ["What is the calculated ALogP value for this compound?", 4.64], ["How many heavy (non-hydrogen) atoms does this compound have?", 57], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["What is the first recorded year of approval for this drug?", 1994], ["Determine if this compound is a prodrug.", "No"], ["What is the molecular weight of this compound's parent molecule?", 804.03], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 13], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-imus"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CN(C)CC/C=C1\\c2ccccc2CSc2ccccc21": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the calculated ALogP value for this compound?", 4.68], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the definition of this compound's USAN stem?", "tricyclic compounds"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Norepinephrine transporter inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 3], ["How many aromatic rings does this compound have?", 2], ["What is the molecular weight of this compound's parent molecule?", 295.45], ["How many heavy (non-hydrogen) atoms does this compound have?", 21], ["What is the molecular formula of this compound, including any salt that it may have?", "C19H21NS"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 3.24], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-pin"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 1], ["How many hydrogen bond acceptors does this compound have?", 2], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Serotonin transporter inhibitor"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Al+3]": [["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Unknown chirality"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 204.11], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the first recorded year of approval for this drug?", 1976], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Unknown"], ["What is the molecular formula of this compound, including any salt that it may have?", "C6H9AlO6"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1": [["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the calculated ALogP value for this compound?", 3.39], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many rotatable bonds does this compound have?", 3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the polar surface area (PSA) value of this compound?", 96.84], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 374.45], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H22N6O"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the definition of this compound's USAN stem?", "hedgehog signaling inhibitors"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Please provide a description of this drug's mechanism of action.", "Smoothened homolog antagonist"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-degib"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["What is the first recorded year of approval for this drug?", 2018], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "NCc1cc(Oc2cccc(C(=O)N3C[C@@H](O)[C@H](F)C3)c2)nc(C(F)(F)F)c1": [["How many rotatable bonds does this compound have?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Please provide a description of this drug's mechanism of action.", "Lysyl oxidase homolog 2 inhibitor"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H17F4N3O3"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the molecular weight of this compound's parent molecule?", 399.34], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["What is the polar surface area (PSA) value of this compound?", 88.68], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 2.51], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "[133Xe]": [["What is the molecular formula of this compound, including any salt that it may have?", "Xe"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["Please provide a description of this drug's mechanism of action.", "Diagnostic agent"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the molecular weight of this compound's parent molecule?", 131.29], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12.O=C(O)/C=C/C(=O)O": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["How many heavy (non-hydrogen) atoms does this compound have?", 37], ["What is the polar surface area (PSA) value of this compound?", 45.59], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors does this compound have?", 4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Please provide a description of this drug's mechanism of action.", "ATP synthase inhibitor"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many aromatic rings does this compound have?", 5], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C36H35BrN2O6"], ["What is the definition of this compound's USAN stem?", "antibiotics, diarylquinoline structure"], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-quiline"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 8], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the calculated ALogP value for this compound?", 7.13], ["What is the molecular weight of this compound's parent molecule?", 555.52], ["What is the first recorded year of approval for this drug?", 2012], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["What is the molecular weight of this compound's parent molecule?", 532.13], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Please provide a description of this drug's mechanism of action.", "Advanced glycosylation end product-specific receptor antagonist"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["How many hydrogen bond donors does this compound have?", 0], ["What is the definition of this compound's USAN stem?", "receptor for advanced glycation endproducts (RAGE) inhibitors"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["What is the calculated ALogP value for this compound?", 8.44], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 2], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["What is the polar surface area (PSA) value of this compound?", 39.52], ["How many aromatic rings does this compound have?", 4], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-ragon"], ["How many rotatable bonds does this compound have?", 14], ["How many heavy (non-hydrogen) atoms does this compound have?", 38], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the molecular formula of this compound, including any salt that it may have?", "C32H38ClN3O2"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the molecular weight of this compound's parent molecule?", 293.32], ["What is the polar surface area (PSA) value of this compound?", 63.33], ["What is the calculated ALogP value for this compound?", 4.03], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Cyclooxygenase inhibitor"], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is there a black box warning associated with this drug?", "Yes"], ["What is the first recorded year of approval for this drug?", 1992], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H15NO3"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 5], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 4], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many heavy (non-hydrogen) atoms does this compound have?", 22], ["How many aromatic rings does this compound have?", 3]], "Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1": [["How many heavy (non-hydrogen) atoms does this compound have?", 28], ["What is the definition of this compound's USAN stem?", "enzyme inhibitors: histone deacetylase inhibitors"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["What is the polar surface area (PSA) value of this compound?", 106.34], ["What is the molecular weight of this compound's parent molecule?", 376.42], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 4], ["Please provide a description of this drug's mechanism of action.", "Histone deacetylase inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 3], ["What is the molecular formula of this compound, including any salt that it may have?", "C21H20N4O3"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 3.34], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 7], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-stat (-inostat)"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many aromatic rings does this compound have?", 3]], "N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the calculated ALogP value for this compound?", 5.06], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H9Cl2N3S2"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["Is it known whether this drug is administered parenterally?", "No"], ["What is the definition of this compound's USAN stem?", "systemic antifungals (miconazole type)"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Cytochrome P450 51 inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 1], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 21], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 354.29], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 2013], ["Is it known whether this drug is taken orally?", "No"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-conazole"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the polar surface area (PSA) value of this compound?", 41.61]], "CC[C@@H]1[C@@H]2CN(C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]3C[C@H]3CCCCC(F)(F)c3nc4ccc(OC)cc4nc3O2)[C@@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2(C)CC2)C[C@H]1C(C)C": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 3], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 15], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Please provide a description of this drug's mechanism of action.", "Hepatitis C virus serine protease, NS3/NS4A inhibitor"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the first recorded year of approval for this drug?", 2017], ["How many hydrogen bond donors does this compound have?", 3], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-vir (-previr)"], ["What is the definition of this compound's USAN stem?", "antivirals: serine protease inhibitors"], ["What is the molecular weight of this compound's parent molecule?", 861.02], ["How many heavy (non-hydrogen) atoms does this compound have?", 60], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is this compound an acid, a base, or neutral?", "ACID"], ["What is the calculated ALogP value for this compound?", 5.35], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 3], ["Determine the type of availability for this drug.", "prescription only"], ["How many rotatable bonds does this compound have?", 8], ["What is the polar surface area (PSA) value of this compound?", 195.22], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 11], ["What is the molecular formula of this compound, including any salt that it may have?", "C42H58F2N6O9S"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I": [["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 2], ["What is the definition of this compound's USAN stem?", "iodine-containing contrast media"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "io-"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 3], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 7], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "No"], ["Is there a black box warning associated with this drug?", "No"], ["Please provide a description of this drug's mechanism of action.", "Diagnostic agent"], ["What is the molecular formula of this compound, including any salt that it may have?", "C18H24I3N3O8"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 11], ["What is the first recorded year of approval for this drug?", 1995], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["What is the calculated ALogP value for this compound?", -0.99], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["How many rotatable bonds does this compound have?", 11], ["How many hydrogen bond acceptors does this compound have?", 8], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 179.66], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["How many hydrogen bond donors does this compound have?", 7], ["What is the molecular weight of this compound's parent molecule?", 791.11]], "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl": [["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Please provide a description of this drug's mechanism of action.", "D2-like dopamine receptor antagonist"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Is it known whether this drug is administered parenterally?", "Yes"], ["How many hydrogen bond donors does this compound have?", 0], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 21], ["How many aromatic rings does this compound have?", 2], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["How many hydrogen bond acceptors does this compound have?", 3], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 0], ["Please provide a description of this drug's mechanism of action.", "Serotonin 2a (5-HT2a) receptor antagonist"], ["What is the calculated ALogP value for this compound?", 4.89], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular formula of this compound, including any salt that it may have?", "C17H20Cl2N2S"], ["What is the molecular weight of this compound's parent molecule?", 318.87], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["What is the polar surface area (PSA) value of this compound?", 6.48], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["What is the first recorded year of approval for this drug?", 1957]], "CN[C@@H](C)C/C=C/c1cncc(OC(C)C)c1": [["What is the definition of this compound's USAN stem?", "nicotinic acetylcholine receptor partial agonists/agonists"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the polar surface area (PSA) value of this compound?", 34.15], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["What is the molecular formula of this compound, including any salt that it may have?", "C14H22N2O"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Please provide a description of this drug's mechanism of action.", "Neuronal acetylcholine receptor; alpha4/beta2 partial agonist"], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["How many rotatable bonds does this compound have?", 6], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors does this compound have?", 3], ["What is the calculated ALogP value for this compound?", 2.88], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-nicline"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the molecular weight of this compound's parent molecule?", 234.34], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["How many heavy (non-hydrogen) atoms does this compound have?", 17], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(C)OC(=O)CCC/C=C\\C[C@@H]1[C@@H](/C=C/C(F)(F)COc2ccccc2)[C@H](O)C[C@@H]1O": [["What is the calculated ALogP value for this compound?", 4.68], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Please provide a description of this drug's mechanism of action.", "Prostanoid FP receptor agonist"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is there a black box warning associated with this drug?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-prost"], ["How many rotatable bonds does this compound have?", 12], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["What is the molecular weight of this compound's parent molecule?", 452.54], ["What is the molecular formula of this compound, including any salt that it may have?", "C25H34F2O5"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["What is the polar surface area (PSA) value of this compound?", 75.99], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["How many heavy (non-hydrogen) atoms does this compound have?", 32], ["What is the definition of this compound's USAN stem?", "prostaglandins"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["How many hydrogen bond acceptors does this compound have?", 5], ["What is the first recorded year of approval for this drug?", 2012], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3": [["How many heavy (non-hydrogen) atoms does this compound have?", 19], ["How many rotatable bonds does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["What is the definition of this compound's USAN stem?", "selective melatonin receptor agonist"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 3], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["What is the calculated ALogP value for this compound?", 2.57], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 1], ["What is the first recorded year of approval for this drug?", 2005], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["What is the polar surface area (PSA) value of this compound?", 38.33], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Melatonin receptor agonist"], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-melteon"], ["How many aromatic rings does this compound have?", 1], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H21NO2"], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["What is the molecular weight of this compound's parent molecule?", 259.35], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors does this compound have?", 1], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CN[C@@H](C)[C@H](O)c1ccccc1.CN[C@@H](C)[C@H](O)c1ccccc1.O=S(=O)(O)O": [["What is the molecular weight of this compound's parent molecule?", 165.24], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the molecular formula of this compound, including any salt that it may have?", "C20H32N2O6S"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Does this compound satisfy the rule-of-three criteria?", "Yes"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-drine"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["How many heavy (non-hydrogen) atoms does this compound have?", 12], ["Is there a black box warning associated with this drug?", "No"], ["How many rotatable bonds does this compound have?", 3], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 2], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the definition of this compound's USAN stem?", "sympathomimetics"], ["What is the calculated ALogP value for this compound?", 1.33], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the first recorded year of approval for this drug?", 2016], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["How many aromatic rings does this compound have?", 1], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Please provide a description of this drug's mechanism of action.", "Adrenergic receptor agonist"], ["What is the polar surface area (PSA) value of this compound?", 32.26]], "Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C": [["What is the polar surface area (PSA) value of this compound?", 92.5], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 6], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["How many hydrogen bond acceptors does this compound have?", 4], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Racemic mixture"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["How many aromatic rings does this compound have?", 2], ["How many heavy (non-hydrogen) atoms does this compound have?", 24], ["What is the molecular formula of this compound, including any salt that it may have?", "C16H16ClN3O3S"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 3], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 2.71], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is this compound an acid, a base, or neutral?", "NEUTRAL"], ["Determine the type of availability for this drug.", "prescription only"], ["What is the first recorded year of approval for this drug?", 1973], ["How many rotatable bonds does this compound have?", 2], ["Is it known whether this drug is taken orally?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 365.84], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["Please provide a description of this drug's mechanism of action.", "Thiazide-sensitive sodium-chloride cotransporter inhibitor"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@H](C)O)C(=O)N1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@H](C)O)[C@H](C)O": [["What is the molecular formula of this compound, including any salt that it may have?", "C152H248N50O49S2"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 2 Clinical Trials"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has both."], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Please provide a description of this drug's mechanism of action.", "Amylin receptor AMY1, CALCR/RAMP1 agonist"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Calcitonin gene-related peptide type 1 receptor agonist"], ["What is the definition of this compound's USAN stem?", "peptides: amylin derivatives or mimics"], ["What is the molecular weight of this compound's parent molecule?", 3624.09], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tide (-lintide)"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"]], "CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5": [["What is the molecular formula of this compound, including any salt that it may have?", "C29H41NO4"], ["How many rotatable bonds does this compound have?", 4], ["How many heavy (non-hydrogen) atoms does this compound have?", 34], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["What is the first recorded year of approval for this drug?", 1981], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["What is the polar surface area (PSA) value of this compound?", 62.16], ["Please provide a description of this drug's mechanism of action.", "Kappa opioid receptor agonist"], ["Is it known whether this drug is administered parenterally?", "Yes"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is it known whether this drug is applied topically?", "Yes"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is there a black box warning associated with this drug?", "Yes"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the molecular weight of this compound's parent molecule?", 467.65], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["How many hydrogen bond donors does this compound have?", 2], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["Is it known whether this drug is taken orally?", "No"], ["What is the calculated ALogP value for this compound?", 4.41], ["How many aromatic rings does this compound have?", 1], ["Determine the type of availability for this drug.", "prescription only"], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["Determine if this compound is a prodrug.", "No"], ["How many hydrogen bond acceptors does this compound have?", 5], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 2], ["Please provide a description of this drug's mechanism of action.", "Mu opioid receptor agonist"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"]], "CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl": [["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "An achiral molecule"], ["Does this compound satisfy the rule-of-three criteria?", "No"], ["How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?", 0], ["What is the molecular weight of this compound's parent molecule?", 253.74], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has a small molecule structure."], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Approved"], ["Is there a black box warning associated with this drug?", "No"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Please provide a description of this drug's mechanism of action.", "Dihydrofolate reductase inhibitor"], ["How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?", 5], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["What is the polar surface area (PSA) value of this compound?", 83.79], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["What is the calculated ALogP value for this compound?", 2.21], ["How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?", 0], ["How many hydrogen bond donors does this compound have?", 5], ["How many aromatic rings does this compound have?", 1], ["How many heavy (non-hydrogen) atoms does this compound have?", 17], ["Determine the type of availability for this drug.", "prescription only"], ["What is the molecular formula of this compound, including any salt that it may have?", "C11H17Cl2N5"], ["How many rotatable bonds does this compound have?", 2], ["Is this compound an acid, a base, or neutral?", "BASE"], ["Is it known whether this drug is taken orally?", "Yes"], ["How many hydrogen bond acceptors does this compound have?", 2], ["Is the drug administered in this specific form, such as a particular salt?", "Yes"], ["How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?", 5], ["What is the first recorded year of approval for this drug?", 2000], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Small molecule"], ["Determine if this compound is a prodrug.", "Yes"]], "CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O": [["What is the definition of this compound's USAN stem?", "peptides: inhibition of growth hormone release"], ["Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.", "Single stereoisomer"], ["Please provide a description of this drug's mechanism of action.", "Somatostatin receptor 2 agonist"], ["What is the molecular weight of this compound's parent molecule?", 1131.4], ["Is it known whether this drug is administered parenterally?", "No"], ["Is it known whether this drug is applied topically?", "No"], ["Which USAN substem can this drug or clinical candidate name be matched with?", "-tide (-reotide)"], ["Is this compound a small molecule polymer, such as polystyrene sulfonate?", "No"], ["What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.", "Phase 3 Clinical Trials"], ["Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.", "No"], ["Is this molecule characterized by a small molecular structure or a protein sequence?", "It has both."], ["Is there a black box warning associated with this drug?", "No"], ["Determine the type of availability for this drug.", "unknown"], ["Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?", "No"], ["Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?", "Yes"], ["Please provide a description of this drug's mechanism of action.", "Somatostatin receptor 5 agonist"], ["Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?", "No"], ["Is it known whether this drug is taken orally?", "No"], ["Is the drug administered in this specific form, such as a particular salt?", "No"], ["Determine if this compound is a prodrug.", "No"], ["What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.", "Protein"], ["Please provide a description of this drug's mechanism of action.", "Somatostatin receptor 3 agonist"], ["What is the molecular formula of this compound, including any salt that it may have?", "C57H70N12O9S2"]]}
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