CID Question Answer 644073 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O Question about this molecule: What is the right information about this molecule's absorption? Option A: It undergoes very little absorption following oral or topical administration. Option B: It has poor gastrointestinal absorption and is therefore formulated as a sublingual tablet. Option C: It has minimal oral absorption and its use has not been linked to instances of acute liver injury. Option D: It has good absorption and enhanced oral bioavailability. " B 5362449 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC Question about this molecule: What is the right information about this molecule's absorption? Option A: It is well absorbed in the gut with an oral bioavailability of 100% and easily crosses the blood-brain barrier. Option B: Its absorption in man is effected over a longer period of time as compared to corticotropin. Option C: It is rapidly absorbed from the gastrointestinal tract, where it enters the bloodstream and crosses the blood-brain barrier. Option D: It has poor absorption profile, and prodrug and other conjugated compounds have been developed for improved solubility, gastrointestinal absorption, and bioavailability. " C 444888 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=CC=C1CP(=O)(O)O[C@H](C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CO)NC(=O)C(Cl)Cl)NC(=O)C(F)(F)F Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It exhibits the action of causing respiratory depression in infants when combined with Chlorphenesin. Option B: It acts as a transition state analogue for the hydrolysis of chloramphenicol esters. Option C: It is very irritating to skin and mucous membranes and has keratolytic actions. Option D: It works primarily through the high osmolarity of the solution. " B 9830707 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C([C@H](C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5 Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It can act on both N-type and L-type calcium channels. Option B: It is a selective blocker of T-type Ca(2+) channels. Option C: It can inhibit phosphodiesterases and may have direct actions on calcium channels. Option D: It exhibits the action of inhibiting voltage-gated K(+) channels. " B 441401 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It inhibits bacterial protein synthesis by binding to a site on 23S ribosomal RNA of the 50S subunit and prevents further formation of a functional 70S initiation complex. Option B: It inhibits microbial cellular protein synthesis. Option C: It inhibits bacterial protein synthesis. Option D: It interferes with bacterial protein synthesis. " A 146672237 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CNC(=O)[C@@H]1C[C@@H](C=O)NC(=O)[C@H](CC2=CC(=CC=C2)F)NC(=O)C3=CC4=CC=CC=C4N3 Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It prevents the interaction of HIV-1 gp120 and chemokine receptor 5 (CCR5) necessary for CCR5-tropic HIV-1 to enter cells. Option B: It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. Option C: It inhibits the increase in promoter activity observed following overexpression of PKCdelta, constitutively active Ras, or MEKK1. Option D: It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture. " D 1566236 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-] Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity. Option B: It mediates a cytotoxic action on colorectal cancer cells by inducing cell arrest and apoptosis. Option C: It exhibits the actions of being a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter. Option D: It specifically blocks necrosis downstream of the activation of RIP3, a key signaling molecule in the programmed necrosis (necroptosis) pathway. " D 3135 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3NC2=O Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity. Option B: It has multiple actions, including activating GABA(B) receptors, enhancing NMDA current, blocking AMPA-receptor-mediated transmission, binding to the L-alpha-amino acid transporter, activating ATP-sensitive K(+) channels, activating hyperpolarization-activated cation channels, and modulating Ca(2+) current. Option C: It exhibits the actions of being a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter. Option D: It exhibits the action of mediating at least some of its immunomodulatory actions via inhibition of cyclic adenosine monophosphate (cAMP)-phosphodiesterase (PDE), and consequential increase in intracellular cAMP concentrations. " A 10206 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3 Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It exhibits the actions of being a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter. Option B: It antagonizes the strychnine-insensitive glycine site of the NMDA receptor and prevents neurodegeneration produced by quinolinic acid. Option C: It stimulates recovery of immunologic function in the lymphatic system after administration of antineoplastic agents or x-irradiation. Option D: It is used for the prevention and management of angina pectoris caused by coronary artery disease, but its onset of action is not rapid enough to offset an acute anginal episode. " C 2717 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1C(S(=O)(=O)CCC1=O)C2=CC=C(C=C2)Cl Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It binds to central benzodiazepine receptors which interact allosterically with GABA receptors. Option B: It acts on various receptors, including certain histamine, serotonin, and adrenergic receptors. Option C: It has the potential for interaction with adrenergic and serotonergic agents. Option D: It is a highly potent, competitive, preferential dopamine D3 receptor antagonist, centrally active upon systemic administration. " A 16222096 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It causes relaxation of smooth muscle in blood vessels and the prostate. Option B: It provides a totally novel mode of action with potential importance for diseases associated with ageing of the brain. Option C: It is commonly associated with serum enzyme elevations during therapy and to rare instances of clinically apparent acute liver injury. Option D: It has direct actions on blood vessels and increases cardiac output. " C 5401 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It provides a totally novel mode of action with potential importance for diseases associated with ageing of the brain. Option B: It is commonly associated with serum enzyme elevations during therapy and to rare instances of clinically apparent acute liver injury. Option C: It has direct actions on blood vessels and increases cardiac output. Option D: It causes relaxation of smooth muscle in blood vessels and the prostate. " D 5311507 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN(CCN1CC/C=C\\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It exhibits the actions of being a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter. Option B: It has cardiac stimulant action without evoking vasoconstriction or tachycardia. Option C: It stimulates recovery of immunologic function in the lymphatic system after administration of antineoplastic agents or x-irradiation. Option D: It has therapeutic actions similar to phenothiazine antipsychotics. " D 3823 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It interacts with 14-α demethylase, a cytochrome P-450 enzyme. Option B: It interacts with 14-alpha demethylase, a cytochrome P-450 enzyme. Option C: It interacts with 14-α demethylase. Option D: It interacts with 14-alpha demethylase. " A 6915744 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It inhibits bacterial protein synthesis. Option B: It inhibits microbial cellular protein synthesis. Option C: It interferes with bacterial protein synthesis. Option D: It inhibits DNA synthesis. " C 91699 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2 Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It has systemic protective, curative, and eradicant action. Option B: It is very irritating to skin and mucous membranes and has keratolytic actions. Option C: It has curative, protective, and eradicant action. Option D: It has systemic protective and curative action. " D 34312 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It is used for the prevention and management of angina pectoris caused by coronary artery disease, but its onset of action is not rapid enough to offset an acute anginal episode. Option B: It exhibits the action of having a delayed onset, narrow therapeutic window, need for regular monitoring and INR testing, and numerous drug-drug and drug-food interactions, which limits its effective use for stroke prevention. Option C: It exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols. Option D: It exhibits the action of having a reduced propensity for involvement in drug-drug interactions owing to its primarily reductive metabolism. " D 44472635 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C[C@@H](N[C@@H]1CC2=CC=C(C=C2)NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)[C@@H](C5=CC=CC=C5)O Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It exhibits the action of having a delayed onset, narrow therapeutic window, need for regular monitoring and INR testing, and numerous drug-drug and drug-food interactions, which limits its effective use for stroke prevention. Option B: It exhibits the action of being less likely to be associated with drug-drug interactions involving the CYP3A4, 2D6, or 2C9 enzymes. Option C: It exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols. Option D: It is used for the prevention and management of angina pectoris caused by coronary artery disease, but its onset of action is not rapid enough to offset an acute anginal episode. " B 10280735 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It is used for the prevention and management of angina pectoris caused by coronary artery disease, but its onset of action is not rapid enough to offset an acute anginal episode. Option B: It exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols. Option C: It exhibits the actions of being a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter. Option D: It exhibits the action of having a delayed onset, narrow therapeutic window, need for regular monitoring and INR testing, and numerous drug-drug and drug-food interactions, which limits its effective use for stroke prevention. " D 6468 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3 Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It exhibits the action of inhibiting NMDA receptors (receptors, N-methyl-D-aspartate). Option B: It inhibits the increase in promoter activity observed following overexpression of PKCdelta, constitutively active Ras, or MEKK1. Option C: It acts as a potent and ATP-competitive inhibitor of VEGFR2/KDR, Flt3, and cKit. Option D: It mediates a cytotoxic action on colorectal cancer cells by inducing cell arrest and apoptosis. " A 134160274 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)O Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It works quickly and has a short half-life. Option B: It displays rapid absorption and onset of action with the shortest half-life and duration of action. Option C: It has a rapid onset of action and short half-life. Option D: It has a fast onset of action. " C 5282138 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It can inhibit phosphodiesterases and may have direct actions on calcium channels. Option B: It has direct actions on blood vessels and increases cardiac output. Option C: It can act on both N-type and L-type calcium channels. Option D: It exhibits the action of directly stimulating the uterine muscle to increase force and frequency of contractions. " C 644073 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It has a fast onset of action. Option B: It has a slow onset of action and exhibits a ""ceiling effect"". Option C: It has a rapid onset of action and short half-life. Option D: It displays rapid absorption and onset of action with the shortest half-life and duration of action. " B 441401 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It has the potential for interaction with adrenergic and serotonergic agents. Option B: It has cardiac stimulant action without evoking vasoconstriction or tachycardia. Option C: It exhibits the actions of being a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter. Option D: It stimulates recovery of immunologic function in the lymphatic system after administration of antineoplastic agents or x-irradiation. " A 91439 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It has direct actions on blood vessels and increases cardiac output. Option B: It causes relaxation of smooth muscle in blood vessels and the prostate. Option C: It provides a totally novel mode of action with potential importance for diseases associated with ageing of the brain. Option D: It is commonly associated with serum enzyme elevations during therapy and to rare instances of clinically apparent acute liver injury. " C 92425 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It exhibits the action of acting as an inhibitor of cholinesterase and being highly toxic by all routes of exposure. Option B: It is a potent, specific inhibitor of cytochrome P450 oxidase enzymes and may alter the metabolism of other drugs. Option C: It inhibits protoporphyrinogen oxidase, an enzyme important in the synthesis of chlorophyll. Option D: It exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols. " C 5482 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It interacts with 14-alpha demethylase, a cytochrome P-450 enzyme. Option B: It interacts with 14-α demethylase, a cytochrome P-450 enzyme. Option C: It interacts with 14-alpha demethylase. Option D: It interacts with 14-α demethylase. " A 222757 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5 Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It can increase and sustain plasma levodopa concentrations. Option B: It can cause anterograde amnesia. Option C: It releases endogenous estradiol. Option D: It may cause liver failure. " C 5281037 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\\CC3=CC=CS3)/C(=O)O Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It is a potent, competitive inhibitor of angiotensin-converting enzyme (ACE). Option B: It competes with serotonin at receptor sites in smooth muscle. Option C: It performs 2 actions on the renin angiotensin system. Option D: It has direct actions on blood vessels and increases cardiac output. " C 2181 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCNC(C1)C2=CN=CC=C2 Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It binds irreversibly to acetylcholinesterase. Option B: It acts as a selective antagonist of the muscarinic acetylcholine receptors. Option C: It acts upon the nicotinic acetylcholine receptors. Option D: It inhibits acetylcholinesterase. " C 50367 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It has a rapid onset of action and short half-life. Option B: It has a specific mode of action on insects. Option C: It has a fast onset of action. Option D: It has a slow onset of action and exhibits a ""ceiling effect"". " B 86173 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It interferes with bacterial protein synthesis. Option B: It inhibits microbial cellular protein synthesis. Option C: It inhibits cell membrane ergosterol biosynthesis. Option D: It inhibits bacterial protein synthesis. " C 65863 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It interacts with 14-α demethylase. Option B: It inhibits DNA synthesis and interacts with SH groups. Option C: It interacts with 14-alpha demethylase. Option D: It causes premature chain termination during translation taking place in the ribosome. " C 42611257 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It binds to the ATP-binding domain of the mutant BRAF. Option B: It interacts with 14-alpha demethylase. Option C: It inhibits DNA synthesis and interacts with SH groups. Option D: It causes premature chain termination during translation taking place in the ribosome. " A 135403821 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1/C=C/C=C(\\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C6CCCC6)/C Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It inhibits the increase in promoter activity observed following overexpression of PKCdelta, constitutively active Ras, or MEKK1. Option B: It mediates a cytotoxic action on colorectal cancer cells by inducing cell arrest and apoptosis. Option C: It interacts with bacterial RNA polymerase but does not inhibit the mammalian enzyme. Option D: It has cardiac stimulant action without evoking vasoconstriction or tachycardia. " C 9862076 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl Question about this molecule: Which kind of action does this molecule have/exhibit? Option A: It prevents foliar and soil action and has respiration inhibitor effects. Option B: It inhibits the increase in promoter activity observed following overexpression of PKCdelta, constitutively active Ras, or MEKK1. Option C: It mediates a cytotoxic action on colorectal cancer cells by inducing cell arrest and apoptosis. Option D: It promotes binding to inhibitory gamma-aminobutyric acid subtype receptors and modulates chloride currents through receptor channels. " A 3010818 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5 Question about this molecule: Which kind of affinity does this molecule have/exhibit? Option A: It has a higher affinity to AR and no partial agonist activity compared to bicalutamide. Option B: It has moderate affinity for histamine and alpha adrenergic receptors, and no appreciable affinity for cholinergic muscarinic receptors. Option C: It can alter the affinity of the drug for NS3/4A or the activity of the enzyme itself. Option D: It has a high affinity for the mu-opioid receptor, but lower intrinsic activity compared to other full mu-opioid agonists. " C 71616 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O Question about this molecule: Which kind of affinity does this molecule have/exhibit? Option A: It is an antagonist of corticotropin-releasing factor 1 (CRF-1) receptors with a Ki of 1 nM. Option B: It has a higher affinity to AR and no partial agonist activity compared to bicalutamide. Option C: It is a high affinity D2 receptor antagonist with a Ki of 3 nM. Option D: It has an increased affinity for 14-alpha sterol demethylase. " D 644073 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O Question about this molecule: Which kind of affinity does this molecule have/exhibit? Option A: It has a higher affinity to AR and no partial agonist activity compared to bicalutamide. Option B: It is an antagonist of corticotropin-releasing factor 1 (CRF-1) receptors with a Ki of 1 nM. Option C: It has moderate affinity for histamine and alpha adrenergic receptors, and no appreciable affinity for cholinergic muscarinic receptors. Option D: It has a high affinity for the mu-opioid receptor, but lower intrinsic activity compared to other full mu-opioid agonists. " D 3559 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F Question about this molecule: Which kind of affinity does this molecule have/exhibit? Option A: It has low to moderate-affinity for NMDA receptors. Option B: It has no significant affinity at GABA receptors. Option C: It has a lower affinity for dopamine receptors. Option D: It has a high affinity for μ-opioid receptors. " C 10275777 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl Question about this molecule: Which kind of affinity does this molecule have/exhibit? Option A: It has low hERG channel affinity while sustaining its factor Xa inhibition capacity. Option B: It has a high affinity for the mu-opioid receptor, but lower intrinsic activity compared to other full mu-opioid agonists. Option C: It has moderate affinity for histamine and alpha adrenergic receptors, and no appreciable affinity for cholinergic muscarinic receptors. Option D: It has a higher affinity to AR and no partial agonist activity compared to bicalutamide. " A 148121 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O Question about this molecule: Which kind of affinity does this molecule have/exhibit? Option A: It has a high affinity for bone mineral. Option B: It has a high affinity for various substances. Option C: It has a great affinity for water. Option D: It has a higher affinity for the reduced folate carrier. " D 2361 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43 Question about this molecule: Which kind of agonist activity does this molecule have/exhibit? Option A: It is a very potent NMDA-receptor agonist. Option B: It has no partial agonist activity compared to bicalutamide. Option C: It acts as an agonist at α2 adrenoceptors. Option D: It is a potent agonist of the aryl hydrocarbon receptor. " D 2435 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br Question about this molecule: Which kind of agonist activity does this molecule have/exhibit? Option A: It is an alpha-Adrenergic Agonist. Option B: It is an alpha-1 Adrenergic Agonist. Option C: It is a potent agonist of the aryl hydrocarbon receptor. Option D: It acts as an agonist at α2 adrenoceptors. " A 287180 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)O Question about this molecule: Which kind of antibacterial activity does this molecule have/exhibit? Option A: It is active against Neisseria gonorrhoeae. Option B: It exhibits potent antibacterial activity against several Gram-positive bacterial strains. Option C: It has more activity against both gram-negative and gram-positive bacteria. Option D: It exhibits antibacterial activity against bacterial vaginosis and candidiasis. " A 10345604 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@H]1CC[C@@H]2[C@@H]1C=C[C@H]([C@H]2C(=O)C3=CC=CN3)/C=C/C=C(\\CC)/[C@H]4[C@H](CC[C@@H](O4)[C@@H](C)C(=O)O)C Question about this molecule: Which kind of antibacterial activity does this molecule have/exhibit? Option A: It exhibits activity against Gram-positive bacteria. Option B: It exhibits antibacterial activity against Gram-negative bacteria. Option C: It is more effective against certain Gram-negative bacteria. Option D: It is effective against many Gram-positive bacteria. " A 121225522 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCN(CC1)C2=C(C=C3C4=C2OCNN4C=C(C3=O)C(=O)O)F Question about this molecule: Which kind of antibacterial activity does this molecule have/exhibit? Option A: It is bactericidal against most Gram-positive bacteria. Option B: It is active against both Gram-positive and Gram-negative bacteria. Option C: It is a synthetic, broad spectrum bactericidal agent. Option D: It is effective against both Gram-negative and Gram-positive organisms. " C 3229 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O Question about this molecule: Which kind of antibacterial activity does this molecule have/exhibit? Option A: It is a DNA synthesis inhibitor. Option B: It has a wide spectrum of antibacterial activity. Option C: It is a broad spectrum antibacterial drug. Option D: It exhibits potent antibacterial activity. " A 135398736 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1[C@@H](C(=O)N1S(=O)(=O)[O-])NC(=O)/C(=N\\OC(C)(C)C(=O)O)/C2=CSC(=[NH+]2)N Question about this molecule: Which kind of antibacterial activity does this molecule have/exhibit? Option A: It exhibits potent antibacterial activity against several Gram-positive bacterial strains. Option B: It exhibits antibacterial activity against bacterial vaginosis and candidiasis. Option C: It has more activity against both gram-negative and gram-positive bacteria. Option D: It inhibits mucopeptide synthesis in the bacterial cell wall. " D 54708748 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1[C@H]2C=C[C@@]3(CO3)[C@](O2)(O[C@@H]1[C@H](C)/C=C(\\C)/C=C/C(=C\\4/C(=O)[C@@H](N(C4=O)[C@@H]5CC[C@@H]([C@@H](O5)C)O)[C@H](C)C(=O)NC)/O)C Question about this molecule: Which kind of antibacterial activity does this molecule have/exhibit? Option A: It is more effective against certain Gram-negative bacteria. Option B: It is active against a wide range of bacteria. Option C: It is effective against many Gram-positive bacteria. Option D: It is active against gram-positive bacteria. " D 6915744 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O Question about this molecule: Which kind of antibacterial activity does this molecule have/exhibit? Option A: It is effective against many Gram-positive bacteria. Option B: It is more effective against certain Gram-negative bacteria. Option C: It is active against both Gram-positive and Gram-negative bacteria. Option D: It exhibits activity against Gram-positive bacteria. " B 441401 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F Question about this molecule: Which kind of antibacterial activity does this molecule have/exhibit? Option A: It inhibits mucopeptide synthesis in the bacterial cell wall. Option B: It is used for the treatment of acute bacterial skin and skin structure infections. Option C: It inhibits the initiation of bacterial protein synthesis. Option D: It exhibits potent antibacterial activity against several Gram-positive bacterial strains. " C 12302502 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1OC2=C(O1)C=C3C(=C2)C4=C5C(=CC6=C4OCO6)C=CN=C5C3=O Question about this molecule: Which kind of antifungal activity does this molecule have/exhibit? Option A: It displays only moderate antifungal activity. Option B: It is used as a broad-spectrum antifungal drug. Option C: It has antibacterial and antifungal properties. Option D: It is a broad spectrum antifungal agent. " A 11146813 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H](C(C)C)[C@]1(CC[C@@]2(C3=C(CC[C@]2([C@@H]1C(=O)O)C)[C@]4(C[C@H]([C@@H](C([C@@H]4CC3)(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC(=O)C)C)C)C Question about this molecule: Which kind of antifungal activity does this molecule have/exhibit? Option A: It shows antifungal activity against various human and phytophathogenic fungi. Option B: It shows antifungal activity towards the pathogenic yeast Candida albicans. Option C: It has strong antifungal activity against Aspergillus fumigatus and Candida albicans. Option D: It exhibits antifungal activity against plant pathogenic fungi. " C 6918120 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCCCCOC1=CC=C(C=C1)C(=O)N[C@H]2C[C@H]([C@H](NC(=O)[C@@H]3[C@H]([C@H](CN3C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)[C@@H](C)O)O)[C@@H]([C@H](C5=CC=C(C=C5)O)O)O)[C@@H](C)O)C)O)O)O Question about this molecule: Which kind of antifungal activity does this molecule have/exhibit? Option A: It invades a fungus' ability to synthesize cell walls. Option B: It is a broad spectrum antifungal agent. Option C: It acts as an antifungal and protein synthesis inhibitor. Option D: It is used as a broad-spectrum antifungal drug. " A 6918120 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCCCCOC1=CC=C(C=C1)C(=O)N[C@H]2C[C@H]([C@H](NC(=O)[C@@H]3[C@H]([C@H](CN3C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)[C@@H](C)O)O)[C@@H]([C@H](C5=CC=C(C=C5)O)O)O)[C@@H](C)O)C)O)O)O Question about this molecule: Which kind of antifungal activity does this molecule have/exhibit? Option A: It is an antimycotic agent against Candida albicans. Option B: It shows antifungal activity towards the pathogenic yeast Candida albicans. Option C: It has strong antifungal activity against Aspergillus fumigatus and Candida albicans. Option D: It shows antifungal activity against various human and phytophathogenic fungi. " A 70678798 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]([C@@H](CCCCCCCCCCCC/C=C/C(CCCCCCCC1C2=CC(=C(C=C2CCN1)O)O)OC)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)N Question about this molecule: Which kind of antifungal activity does this molecule have/exhibit? Option A: It shows antifungal activity against various human and phytophathogenic fungi. Option B: It exhibits antifungal activity against fluconazole-resistant yeast Candida glabrata. Option C: It exhibits antifungal activity against plant pathogenic fungi. Option D: It shows antifungal activity towards the pathogenic yeast Candida albicans. " B 5430 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 Question about this molecule: Which kind of antifungal activity does this molecule have/exhibit? Option A: It is used to control a wide range of diseases including Aspergillus, Botrytis, Cladosporium and Fusarium. Option B: It has broad-spectrum fungicidal and fungistatic activity against a number of yeasts and fungi, most notably Candida species. Option C: It is used for the control of soil, root and leaf diseases caused by oomycetes, particularly Phytophthora and Pythium species. Option D: It displays potent broad-spectrum in vitro activity against dermatophytes, filamentous fungi and yeasts. " A 3391107 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F Question about this molecule: Which kind of antifungal activity does this molecule have/exhibit? Option A: It has a role as an antifungal agrochemical. Option B: It acts as an antifungal and protein synthesis inhibitor. Option C: It is used as a broad-spectrum antifungal drug. Option D: It is a broad spectrum antifungal agent. " A 9796266 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C(C(=C1)C#N)NC(=O)C2=C(C(=NS2)Cl)Cl Question about this molecule: Which kind of antifungal activity does this molecule have/exhibit? Option A: It is a broad spectrum antifungal agent. Option B: It is used as a broad-spectrum antifungal drug. Option C: It acts as an antifungal and protein synthesis inhibitor. Option D: It has a role as an antifungal agrochemical. " D 166548 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)O)O Question about this molecule: Which kind of antifungal activity does this molecule have/exhibit? Option A: It shows antifungal activity towards the pathogenic yeast Candida albicans. Option B: It shows antifungal activity against various human and phytophathogenic fungi. Option C: It has strong antifungal activity against Aspergillus fumigatus and Candida albicans. Option D: It is active against Aspergillus and Candida species. " D 2801756 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC2=C(C=C1Cl)N=NC3=NN=NN23 Question about this molecule: Which kind of antifungal activity does this molecule have/exhibit? Option A: It shows antifungal activity against various human and phytophathogenic fungi. Option B: It induces oxidative stress in yeast and filamentous fungi. Option C: It displays potent broad-spectrum in vitro activity against dermatophytes, filamentous fungi and yeasts. Option D: It has broad-spectrum fungicidal and fungistatic activity against a number of yeasts and fungi, most notably Candida species. " B 9862076 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl Question about this molecule: Which kind of antifungal activity does this molecule have/exhibit? Option A: It is a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. Option B: It shows antifungal activity towards the pathogenic yeast Candida albicans. Option C: It shows antifungal activity against various human and phytophathogenic fungi. Option D: It exhibits antifungal activity against fluconazole-resistant yeast Candida glabrata. " A 11755172 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1CC[C@H]2[C@H]([C@@H]1O)C=C([C@H]\\3[C@@]2(C(=O)O[C@@H](CCC/C=C(/[C@@H]([C@H](/C=C/C=C3)C)O)\\C(=O)O)C)C)C Question about this molecule: Which kind of antimicrobial activity does this molecule have/exhibit? Option A: It is active against a wide range of micro-organisms including some fungi and viruses, but is only slowly effective against spores. Option B: It has excellent activity against most aerobic gram-negative bacilli from the Enterobacteriaceae family, including Nocardia and some Mycobacterium. Option C: It shows moderate antimicrobial activity against Bacillus subtilis. Option D: It exhibits strong and specific antimicrobial activities against rapid-growing Mycobacteria including drug-resistant strains. " D 70678757 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCCC(C)C1C(C(=O)NC(=C)/C=C/C(=O)N[C@H](C(=O)N[C@@H](C(=O)O1)C(C)C)C)CCO Question about this molecule: Which kind of antimicrobial activity does this molecule have/exhibit? Option A: It is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms. Option B: It has in vitro activity against aerobic Gram-positive bacteria, certain Gram-negative bacteria, and anaerobic microorganisms. Option C: It exhibits moderate activity against Gram-positive bacteria. Option D: It has a broad spectrum of activity against Gram-positive organisms and a limited range of Gram-negative organisms. " C 8478 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-] Question about this molecule: Which kind of antimicrobial activity does this molecule have/exhibit? Option A: It is active against a broad spectrum of bacteria, fungi, moulds, and viruses. Option B: It has excellent activity against most aerobic gram-negative bacilli from the Enterobacteriaceae family, including Nocardia and some Mycobacterium. Option C: It is active against a wide range of micro-organisms including some fungi and viruses, but is only slowly effective against spores. Option D: It has activity against Gram-positive cocci and rods, Gram-negative cocci, Legionellae, mycoplasmas, chlamydiae, some types of spirochetes, Toxoplasma gondii, and Cryptosporidium. " A 441401 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F Question about this molecule: Which kind of antimicrobial activity does this molecule have/exhibit? Option A: It is active against a wide range of both aerobic and anaerobic gram-positive and gram-negative microorganisms. Option B: It has a broad spectrum of activity against both gram-positive and gram-negative microorganisms. Option C: It is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms. Option D: It has in vitro activity against aerobic Gram-positive bacteria, certain Gram-negative bacteria, and anaerobic microorganisms. " D 21778345 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C2CC3=C(C=CC(=C3)C(=O)O[C@@H](CC[C@]([C@@H](CC[C@@]2([C@H](CC1)Br)C)Br)(C)O)C(C)(C)Br)O Question about this molecule: Which kind of antineoplastic activity does this molecule have/exhibit? Option A: It exhibits broad spectrum activity against cultured tumor cell lines, including adriamycin-resistant HL-60 cells. Option B: It inhibits the growth of A431 human epidermoid carcinoma and MKN-7 human stomach cancer cell lines. Option C: It exhibits moderate cytotoxicity against several human tumour cell lines via specific apotopic cell death. Option D: It works against esophageal squamous cell carcinoma in vitro and in vivo. " C 9930678 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1C2=C(CC(O1)CC(=O)O)C3=C4C(=C5N3C(CC5)C(C)O)C=CC(=O)C4=C2O Question about this molecule: Which kind of antineoplastic activity does this molecule have/exhibit? Option A: It exhibits inhibitory efficacy against the growth of human tumour cells. Option B: It exhibits moderate cytotoxicity against several human tumour cell lines via specific apotopic cell death. Option C: It exhibits antiproliferative activity against A2780 human ovarian cancer cells. Option D: It exhibits inhibitory activity against breast cancer resistance protein. " A 5311105 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=C(C=C1/C=C/2\\C=C(OC2=O)C3=CC(=C(C=C3)O)O)O)O Question about this molecule: Which kind of antineoplastic activity does this molecule have/exhibit? Option A: It works against esophageal squamous cell carcinoma in vitro and in vivo. Option B: It has potent anti-leukemic effects, inducing apoptosis in myeloid leukemia cell lines and primary AML cells at nanomolar concentrations. Option C: It inhibits the growth of A431 human epidermoid carcinoma and MKN-7 human stomach cancer cell lines. Option D: It selectively inhibits survivin (BIRC5) gene promoter activity and down-regulates survivin in vitro, leading to induction of apoptosis. " C 10198594 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C/C=C/C1C2C(=CC(C(=O)O2)O)C(O1)/C=C/C Question about this molecule: Which kind of antineoplastic activity does this molecule have/exhibit? Option A: It inhibits the growth of A431 human epidermoid carcinoma and MKN-7 human stomach cancer cell lines. Option B: It has potent anti-leukemic effects, inducing apoptosis in myeloid leukemia cell lines and primary AML cells at nanomolar concentrations. Option C: It works against esophageal squamous cell carcinoma in vitro and in vivo. Option D: It exhibits broad spectrum activity against cultured tumor cell lines, including adriamycin-resistant HL-60 cells. " D 91885989 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C=CC2=C1N=C(N2C)NC3=C(C=C(C=C3)F)F)OC4=CC(=NC=C4)NC(=O)C Question about this molecule: Which kind of antineoplastic activity does this molecule have/exhibit? Option A: It inhibits the growth of A431 human epidermoid carcinoma and MKN-7 human stomach cancer cell lines. Option B: It has antineoplastic activity and is used in the therapy of acute leukemia and AIDS related Kaposi sarcoma. Option C: It is a type II JAK2 inhibitor with antineoplastic activity. Option D: It works against esophageal squamous cell carcinoma in vitro and in vivo. " C 16736469 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12C[C@H]([C@@H](C=C1CC[C@@H]3[C@@H]2CC(=O)[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6[C@H]([C@H](CCO6)OC)O)O Question about this molecule: Which kind of antineoplastic activity does this molecule have/exhibit? Option A: It works against esophageal squamous cell carcinoma in vitro and in vivo. Option B: It has potent anti-leukemic effects, inducing apoptosis in myeloid leukemia cell lines and primary AML cells at nanomolar concentrations. Option C: It inhibits the growth of A431 human epidermoid carcinoma and MKN-7 human stomach cancer cell lines. Option D: It exhibits antiproliferative activity against A2780 human ovarian cancer cells. " D 100036 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C2=CC3=C(C(=C2C(OC1=O)CC(=O)N)O)C(=O)C4=C(C3=O)C=CC=C4O Question about this molecule: Which kind of antineoplastic activity does this molecule have/exhibit? Option A: It inhibits the growth of Ehrlich ascites carcinoma in vitro. Option B: It inhibits the growth of A431 human epidermoid carcinoma and MKN-7 human stomach cancer cell lines. Option C: It works against esophageal squamous cell carcinoma in vitro and in vivo. Option D: It exhibits broad spectrum activity against cultured tumor cell lines, including adriamycin-resistant HL-60 cells. " A 73890923 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)NC1=NC(=CS1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C Question about this molecule: Which kind of antineoplastic activity does this molecule have/exhibit? Option A: It inhibits cell growth by inducing apoptosis independently of cyclooxygenase inhibition. Option B: It can reduce the viability of melanoma cells by triggering an endoplasmic reticulum (ER) stress response. Option C: It induces apoptosis and possesses a significant in vivo effect against myeloma. Option D: It induces apoptosis in human malignant glioblastoma cells. " B 53235510 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl Question about this molecule: Which kind of antineoplastic activity does this molecule have/exhibit? Option A: It suppresses tumour growth by inhibiting the FGFR pathway. Option B: It inhibits the growth of Ehrlich ascites carcinoma in vitro. Option C: It specifically inhibits growth of renal cells in culture. Option D: It inhibits tumor formation and growth by inhibiting LDH. " A 300471 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2 Question about this molecule: Which kind of antineoplastic activity does this molecule have/exhibit? Option A: It inhibits the growth of A431 human epidermoid carcinoma and MKN-7 human stomach cancer cell lines. Option B: It kills cancer cells by elevating oxidative stress levels beyond a breaking point, triggering programmed cell death. Option C: It exhibits broad spectrum activity against cultured tumor cell lines, including adriamycin-resistant HL-60 cells. Option D: It has potent anti-leukemic effects, inducing apoptosis in myeloid leukemia cell lines and primary AML cells at nanomolar concentrations. " B 5281037 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\\CC3=CC=CS3)/C(=O)O Question about this molecule: Which kind of antineoplastic activity does this molecule have/exhibit? Option A: It induces apoptosis in human malignant glioblastoma cells. Option B: It induces apoptosis and possesses a significant in vivo effect against myeloma. Option C: It reduces blood pressure by inhibiting norepinephrine production. Option D: It works against esophageal squamous cell carcinoma in vitro and in vivo. " C 6445540 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C Question about this molecule: Which kind of antineoplastic activity does this molecule have/exhibit? Option A: It acts to stabilize microtubules, preventing mitosis and causing growth arrest in cancer cells. Option B: It induces cell cycle arrest and apoptosis in several human cancer cell lines. Option C: It modulates the lipid content of cancer cell membranes and induces cell cycle arrest and apoptosis in several cancer cell lines. Option D: It exerts its effect by depolymerising microtubules. " A 9963968 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC1CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(CC(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O1)O)O)O)CCCCCCCCCCCCCC(CCCCCC(C)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O Question about this molecule: Which kind of antiviral activity does this molecule have/exhibit? Option A: It has broad antiviral activity against the Arenaviridae, Flaviviridae, Filoviridae, Paramyxoviridae, Pneumoviridae, and Coronaviridae viral families. Option B: It exhibits antiviral activity against herpes simplex virus type 1 (HSV-1), varicella-zoster virus (VZV), influenza A virus and human immunodeficiency virus type 1 (HIV-1). Option C: It exhibits inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. Option D: It has potent in vitro antiviral activity against a diverse panel of RNA viruses such as Ebola virus, MERS-CoV and SARS-CoV. " B 121304016 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4 Question about this molecule: Which kind of antiviral activity does this molecule have/exhibit? Option A: It inhibits gene expression in HIV-1 at the transcriptional level through interference with Tat-mediated transactivation. Option B: It has potent in vitro antiviral activity against a diverse panel of RNA viruses such as Ebola virus, MERS-CoV and SARS-CoV. Option C: It exhibits inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. Option D: It is used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients. " B 11598012 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H](CCC1C(O1)(C)CO)[C@H]2CC[C@@]3([C@@]2(CCC4=C3C(=O)C[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C Question about this molecule: Which kind of antiviral activity does this molecule have/exhibit? Option A: It exhibits antiviral activity against herpes simplex virus. Option B: It exhibits antiviral activity against influenza virus. Option C: It exhibits activity against the influenza virus. Option D: It exhibits antiviral activity against influenza A virus. " D 16130199 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)C Question about this molecule: Which kind of antiviral activity does this molecule have/exhibit? Option A: It inhibits gene expression in HIV-1 at the transcriptional level through interference with Tat-mediated transactivation. Option B: It is used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients. Option C: It has potent in vitro antiviral activity against a diverse panel of RNA viruses such as Ebola virus, MERS-CoV and SARS-CoV. Option D: It interferes with entry of HIV into cells by binding to the gp41 sub-unit of the viral envelope glycoprotein, so inhibiting fusion of viral and cellular membranes. " D 64983 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CN3 Question about this molecule: Which kind of antiviral activity does this molecule have/exhibit? Option A: It is used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients. Option B: It exhibits inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. Option C: It has potent in vitro antiviral activity against a diverse panel of RNA viruses such as Ebola virus, MERS-CoV and SARS-CoV. Option D: It inhibits gene expression in HIV-1 at the transcriptional level through interference with Tat-mediated transactivation. " D 146672237 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CNC(=O)[C@@H]1C[C@@H](C=O)NC(=O)[C@H](CC2=CC(=CC=C2)F)NC(=O)C3=CC4=CC=CC=C4N3 Question about this molecule: Which kind of antiviral activity does this molecule have/exhibit? Option A: It has potent in vitro antiviral activity against a diverse panel of RNA viruses such as Ebola virus, MERS-CoV and SARS-CoV. Option B: It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture. Option C: It inhibits gene expression in HIV-1 at the transcriptional level through interference with Tat-mediated transactivation. Option D: It is used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients. " B 67505836 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC Question about this molecule: Which kind of antiviral activity does this molecule have/exhibit? Option A: It has potent in vitro antiviral activity against a diverse panel of RNA viruses such as Ebola virus, MERS-CoV and SARS-CoV. Option B: It exhibits inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. Option C: It is effective against genotypes 1a, 1b, 4a, and 5a of HCV. Option D: It is used to treat influenza, herpes infection, viral hepatitis, acute respiratory viral infections, and SARS. " C 441243 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O Question about this molecule: Which kind of antiviral activity does this molecule have/exhibit? Option A: It exhibits antiviral activity against influenza virus. Option B: It dramatically improves antiviral activity. Option C: It exhibits antiviral activity against herpes simplex virus. Option D: It exhibits antiviral activity against influenza A virus. " B 5281037 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\\CC3=CC=CS3)/C(=O)O Question about this molecule: Which kind of antiviral activity does this molecule have/exhibit? Option A: It has similar biological activity as antivirals and neuroprotective effects. Option B: It inhibits norepinephrine production. Option C: It has broad spectrum activity against DNA viruses and significant antiviral activity against infections caused by a variety of viruses. Option D: It dramatically improves antiviral activity. " B 121304016 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4 Question about this molecule: Which kind of antiviral activity does this molecule have/exhibit? Option A: It exhibits inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. Option B: It has potent in vitro antiviral activity against a diverse panel of RNA viruses such as Ebola virus, MERS-CoV and SARS-CoV. Option C: It exhibits antiviral activity against herpes simplex virus type 1 (HSV-1), varicella-zoster virus (VZV), influenza A virus and human immunodeficiency virus type 1 (HIV-1). Option D: It has broad antiviral activity against the Arenaviridae, Flaviviridae, Filoviridae, Paramyxoviridae, Pneumoviridae, and Coronaviridae viral families. " D 44591583 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)O Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind to the bimetal center of the phosphodiesterase 4 enzyme. Option B: It can bind to the N-terminus of the D1 domain of NS5A. Option C: It can bind to the GnRH receptor (GnRHR). Option D: It can bind to 5HT2 receptors. " A 443872 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind to glucocorticoid receptors. Option B: It can bind with high affinity to specific cytoplasmic receptors. Option C: It can selectively bind to recombinant human mineralocorticoid receptors. Option D: It can cause binding to glucocorticoid receptors. " C 91665 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC(=O)N2CCC3=CC=CC1=C32 Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind to SV2A with 20 times higher affinity than levetiracetam. Option B: It can bind with high affinity to specific cytoplasmic receptors. Option C: It can bind in the naphthol pocket of fungal trihydroxynaphthalene reductase active site. Option D: It can bind strongly to the bone mineral, hydroxyapatite. " C 6000 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind to the angiotensin II type 1 (AT1) receptors with high affinity, causing inhibition of the action of angiotensin II on vascular smooth muscle. Option B: It can bind to nicotinic acetylcholine receptors on dopaminergic neurons in the cortico-limbic pathways. Option C: It can bind to 5-HT type 1A serotonin receptors on presynaptic neurons in the dorsal raphe and on postsynaptic neurons in the hippocampus. Option D: It can bind to nicotinic-cholinergic receptors at the autonomic ganglia, in the adrenal medulla, at neuromuscular junctions, and in the brain. " D 60198 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C Question about this molecule: Which kind of binding can this molecule cause? Option A: It can strongly bind to plasma protein (close to 100%). Option B: It can irreversibly bind to the active site of the enzyme resulting in permanent inhibition. Option C: It can bind and activate its receptors. Option D: It can bind with high affinity to specific cytoplasmic receptors. " B 65999 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind to 5-HT type 1A serotonin receptors on presynaptic neurons in the dorsal raphe and on postsynaptic neurons in the hippocampus. Option B: It can bind to nicotinic-cholinergic receptors at the autonomic ganglia, in the adrenal medulla, at neuromuscular junctions, and in the brain. Option C: It can bind to the angiotensin II type 1 (AT1) receptors with high affinity, causing inhibition of the action of angiotensin II on vascular smooth muscle. Option D: It can bind to nicotinic acetylcholine receptors on dopaminergic neurons in the cortico-limbic pathways. " C 10096344 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C Question about this molecule: Which kind of binding can this molecule cause? Option A: It can cause binding to beta adrenergic receptors. Option B: It can obey concentration-dependent protein binding. Option C: It can cause binding to sodium channels. Option D: It can cause plasma binding. " B 108150 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind to the VDR and modulate the T cells gene transcription of cell differentiation and proliferation related genes. Option B: It can bind with high affinity to specific cytoplasmic receptors. Option C: It can bind to the minor groove of DNA interfering with cell division and genetic transcription processes and DNA repair machinery. Option D: It can bind weakly to estrogen receptors and exhibits little estrogenic activity in estrogen-responsive tissues. " C 71661251 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC Question about this molecule: Which kind of binding can this molecule cause? Option A: It has a higher propensity to bind to muscarinic receptors than nicotinic receptors. Option B: It can bind stably and preferentially to three proteins necessary for viral replication of SARS-CoV-2. Option C: It can bind with high affinity to specific cytoplasmic receptors. Option D: It can bind to SV2A with 20 times higher affinity than levetiracetam. " B 9568614 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind RNA in bacterial ribosomes. Option B: It can bind to the (H+, K+)-ATPase enzyme. Option C: It can bind to a site on the bacterial 23S ribosomal RNA of the 50S subunit. Option D: It can cause irreversible binding to the (H+, K+)-ATPase enzyme. " D 942 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCCC1C2=CN=CC=C2 Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind to 5-HT type 1A serotonin receptors on presynaptic neurons in the dorsal raphe and on postsynaptic neurons in the hippocampus. Option B: It can bind to the angiotensin II type 1 (AT1) receptors with high affinity, causing inhibition of the action of angiotensin II on vascular smooth muscle. Option C: It can bind to nicotinic-cholinergic receptors at the autonomic ganglia, in the adrenal medulla, at neuromuscular junctions, and in the brain. Option D: It can bind to nicotinic acetylcholine receptors on dopaminergic neurons in the cortico-limbic pathways. " D 644073 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O Question about this molecule: Which kind of binding can this molecule cause? Option A: It can preferentially bind the opioid receptor. Option B: It can bind to estrogen receptors (ER). Option C: It can bind glutamate receptors, such as the NMDA receptor. Option D: It can bind and activate its receptors. " A 441401 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind to the bacterial 50S ribosomal subunit and may alter the cytoplasmic membrane. Option B: It can cause binding to the 30S ribosome. Option C: It can bind RNA in bacterial ribosomes. Option D: It can bind to a site on the bacterial 23S ribosomal RNA of the 50S subunit. " D 441140 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind to microtubules reversibly with high affinity. Option B: It can cause binding to microtubular proteins of the mitotic spindle. Option C: It can bind to spindle and cytoplasmic microtubules by binding to alpha and beta tubulin. Option D: It can bind to microtubules. " C 10629256 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(C[C@@H]7C[C@H](CN(C7)CC8=C6NC9=CC=CC=C89)C(C)(F)F)C(=O)OC)OC)C Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind to microtubules reversibly with high affinity. Option B: It can bind to microtubules. Option C: It can bind to spindle and cytoplasmic microtubules by binding to alpha and beta tubulin. Option D: It can bind to tubulin at or near the vinca binding sites. " D 208908 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind weakly to estrogen receptors and exhibits little estrogenic activity in estrogen-responsive tissues. Option B: It can bind with high affinity to specific cytoplasmic receptors. Option C: It can prevent receptor autophosphorylation upon ligand binding. Option D: It can bind on aryl hydrocarbon receptor acting as an antagonist/agonist of the pathway. " C 5362449 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind to a site on the extracellular aspect of the of the Na+/K+ ATPase pump in the membranes of heart cells (myocytes). Option B: It shows high affinity binding to several regions of the brain, including the medullary cough center. Option C: It can bind to SV2A with 20 times higher affinity than levetiracetam. Option D: It can bind with high affinity to specific cytoplasmic receptors. " B 60857 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3 Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind to 5-HT 2A/2C receptor subtype. Option B: It can cause binding to 5-HT2A receptors. Option C: It can cause binding to human 5-HT1B and 5-HT1D receptors. Option D: It can bind to 5HT2 receptors. " C 6918456 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4 Question about this molecule: Which kind of binding can this molecule cause? Option A: It can bind to 5HT2 receptors. Option B: It can cause binding to P2Y12 type ADP receptors on platelets. Option C: It can cause binding to 5-HT2A receptors. Option D: It can bind to 5-HT 2A/2C receptor subtype. " B 969491 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@H]4[C@@H]2O4)[C@]5(C(=C([C@@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl Question about this molecule: What is the right information about this molecule's bioaccumulation? Option A: It is not expected to bioaccumulate. Option B: It tends to bioaccumulate. Option C: There is a slight concern regarding its ability to bioaccumulate. Option D: It may bio-accumulate. " B 9862076 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl Question about this molecule: What is the right information about this molecule's bioaccumulation? Option A: It bioaccumulates and causes harmful health effects. Option B: There is a slight concern regarding its ability to bioaccumulate. Option C: There is some concern regarding its potential for bioaccumulation. Option D: It was found to bioaccumulate and cause harmful health effects. " C 7276 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C(O1)C2=CC=CC=C2 Question about this molecule: Which kind of carcinogenicity does this molecule have/exhibit? Option A: It is classified as a Group B2, probable human carcinogen. Option B: It is classified as a Group 2B, possible human carcinogen. Option C: It is classified as a probable human carcinogen. Option D: It is classified as a Group C, possible human carcinogen. " C 31275 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1COCCO1 Question about this molecule: Which kind of carcinogenicity does this molecule have/exhibit? Option A: It is classified as a probable human carcinogen. Option B: It is classified as a Group C, possible human carcinogen. Option C: It is classified as a Group B2, probable human carcinogen. Option D: It is classified as a Group 2B, possible human carcinogen. " A 15558498 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O Question about this molecule: Which kind of carcinogenicity does this molecule have/exhibit? Option A: It is among the most carcinogenic substances known. Option B: It is carcinogenic to humans by inhalation. Option C: It is carcinogenic in animals after oral exposure. Option D: It is probably carcinogenic to humans. " A 3589 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl Question about this molecule: Which kind of carcinogenicity does this molecule have/exhibit? Option A: It is classified as a probable human carcinogen. Option B: It is a potential carcinogen. Option C: Known human carcinogen. Option D: It is a possible human carcinogen. " D 5993 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl Question about this molecule: Which kind of carcinogenicity does this molecule have/exhibit? Option A: It is classified as a Group 2B, possible human carcinogen. Option B: It is classified as a Group B2, probable human carcinogen. Option C: It is classified as a Group B1, probable human carcinogen. Option D: It is classified as a Group C, possible human carcinogen. " B 84098 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3 Question about this molecule: Which kind of carcinogenicity does this molecule have/exhibit? Option A: It is a possible human carcinogen. Option B: It is a potential carcinogen. Option C: It is classified as a probable human carcinogen. Option D: Known human carcinogen. " A 42639814 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@](C)(CC/C=C(\\CO)/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@](C)(CC/C=C(\\C)/C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@](C)(CC/C=C(\\CO)/C(=O)O[C@H]4C[C@@]5([C@@H](C[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)C)C)[C@@H]5CC4(C)C)C)O)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C=C)C)C=C)C)O)O)C=C)O)O)O Question about this molecule: Which kind of cytotoxic activity does this molecule have/exhibit? Option A: It exhibits cytotoxic activity against a small panel of human tumour cell lines. Option B: It exhibits cytotoxic activity towards human cancer cell lines. Option C: It exhibits cytotoxic activity against human cancer cell lines. Option D: It exhibits cytotoxic activity against human tumour cell lines. " A 42639815 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@](C)(CC/C=C(\\CO)/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@](C)(CC/C=C(\\C)/C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@](C)(CC/C=C(\\CO)/C(=O)O[C@H]4C[C@@]5([C@@H](C[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)[C@@H]5CC4(C)C)C)O)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C=C)C)C=C)C)O)O)C=C)O)O)O Question about this molecule: Which kind of cytotoxic activity does this molecule have/exhibit? Option A: It exhibits cytotoxic activity against a small panel of human tumour cell lines. Option B: It exhibits cytotoxic activity against human cancer cell lines. Option C: It exhibits cytotoxic activity against human tumour cell lines. Option D: It exhibits cytotoxic activity towards human cancer cell lines. " A 42639816 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@](C)(CC/C=C(\\C)/C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@](C)(CC/C=C(\\CO)/C(=O)O[C@H]3C[C@@]4([C@@H](C[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)[C@@H]4CC3(C)C)C)O)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C=C)C)C=C)O)O)O Question about this molecule: Which kind of cytotoxic activity does this molecule have/exhibit? Option A: It exhibits cytotoxic activity towards human cancer cell lines. Option B: It exhibits cytotoxic activity against human tumour cell lines. Option C: It exhibits cytotoxic activity against a small panel of human tumour cell lines. Option D: It exhibits cytotoxic activity against human cancer cell lines. " C 25243252 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1C(=O)[C@@]23CC4=C(N2C(=O)[C@@]1(SS3)CO)C=C(C=C4)[N+](=O)[O-] Question about this molecule: Which kind of cytotoxic activity does this molecule have/exhibit? Option A: It exhibits cytotoxic activity against the KB epidermoid carcinoma cell line. Option B: It exhibits cytotoxic activity against several cancer cell lines derived from colon, cervix, and bone. Option C: It exhibits cytotoxic activity against four human cancer cell lines: HCT-116, A549, AGS, and DU145. Option D: It exhibits cytotoxic activity against HL60 leukemia cells. " C 52952112 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)C([C@@H]4C[C@H]([C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)OC(=O)C7=CC=CC=C7)(C)C)C Question about this molecule: Which kind of cytotoxic activity does this molecule have/exhibit? Option A: It exhibits cytotoxic activity against the KB epidermoid carcinoma cell line. Option B: It exhibits cytotoxic activity against human cancer cell lines. Option C: It exhibits cytotoxic activity towards human cancer cell lines. Option D: It exhibits cytotoxic activity against HL60 leukemia cells. " D 15953774 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=CCC1=CC(=C(C=C1O)O)C2=CC3=CC4=C(C=C3O2)OCO4)C Question about this molecule: Which kind of cytotoxic activity does this molecule have/exhibit? Option A: It exhibits cytotoxic activity against human cancer cell lines. Option B: It exhibits cytotoxic activity towards human cancer cell lines. Option C: It exhibits cytotoxic activity against the KB epidermoid carcinoma cell line. Option D: It exhibits cytotoxic activity against HL60 leukemia cells. " C 70697726 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)O[C@H]1C[C@@]([C@@H]2C=C[C@@]([C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)(C)O)(C)O Question about this molecule: Which kind of cytotoxic activity does this molecule have/exhibit? Option A: It exhibits cytotoxic activity against a small panel of human tumour cell lines. Option B: It exhibits cytotoxic activity against human tumour cell lines. Option C: It exhibits cytotoxic activity against human cancer cell lines. Option D: It exhibits cytotoxic activity towards human cancer cell lines. " C 25023212 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@@H](C[C@H](C/C=C\\C3=N[C@@H](CCC(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C)C)CC4=CC=C(C=C4)OC)CS3)C)C(C)(C)C Question about this molecule: Which kind of cytotoxic activity does this molecule have/exhibit? Option A: It exhibits cytotoxic activity against several cancer cell lines derived from colon, cervix, and bone. Option B: It exhibits cytotoxic activity against four human cancer cell lines: HCT-116, A549, AGS, and DU145. Option C: It exhibits cytotoxic activity against the KB epidermoid carcinoma cell line. Option D: It exhibits cytotoxic activity against HL60 leukemia cells. " A 10788 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CN(C(=S)SC1)C Question about this molecule: What is the right information about this molecule's decomposition? Option A: It may release gases and vapors such as hydrogen bromide, bromine, and carbon monoxide when heated to decomposition. Option B: It decomposes into a gaseous form when applied to wet soil. Option C: It emits highly toxic fumes of metallic nickel, oxides of sulfur, and oxides of nitrogen when heated to decomposition. Option D: It decomposes on heating to produce toxic and corrosive fumes including hydrogen chloride and chlorine. " B 2265 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-] Question about this molecule: What is the right information about this molecule's decomposition? Option A: It decomposes at 178-179 °C. Option B: It decomposes above 212 °F. Option C: It decomposes at 243-244 °C. Option D: Decomposition begins at approximately 419 °F. " C 92425 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F Question about this molecule: What is the right information about this molecule's decomposition? Option A: It decomposes above 212 °F. Option B: It will rapidly decompose. Option C: It may violently decompose if intensely heated when contaminated. Option D: It decomposes at 243-244 °C. " B 31275 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1COCCO1 Question about this molecule: What is the right information about this molecule's density? Option A: It is slightly denser than water. Option B: It is somewhat denser than water. Option C: It is denser than air. Option D: It is denser than water. " A 31347 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCS(=O)(=O)C1 Question about this molecule: What is the right information about this molecule's density? Option A: It is denser than water. Option B: It is somewhat denser than water. Option C: It is slightly denser than water. Option D: It is denser than air. " A 135418328 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=CC(=C1)O)N=NC(=O)CC2=CC=CC=C2 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It exhibits hypotensive and neuroprotective effects. Option B: It causes harmful health effects and bioaccumulates. Option C: It has neurotoxic effects. Option D: It exhibits neurotrophic effect of NGF. " D 11969465 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It induces cell cycle arrest and apoptosis in various cancer cells. Option B: It is a vasoconstrictor with effects similar to digitalis. Option C: It induces apoptosis and displays antitumour effects. Option D: It causes interstrand linkages in DNA resulting in cell apoptosis. " B 5040063 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCC1=C(N(N=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It results in a blockage or change in the expression of estrogen dependent genes. Option B: It is a potent, subtype-selective estrogen receptor agonist. Option C: It exhibits decreased platelet production as its physiologic effect. Option D: It exhibits decreased tracheobronchial stretch receptor activity. " B 5712 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C4=CC=C(O4)CO Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It is an activator of soluble guanylate cyclase and inhibits platelet aggregation. Option B: It decreases prostaglandin production and platelet aggregation. Option C: It decreases platelet aggregation. Option D: It can decrease platelet aggregation. " A 146026605 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C[C@H](OC1=O)O/C=C\\2/C(=O)O[C@@H]3[C@H]2CC4=CC=CC=C34.CC1=C[C@@H](OC1=O)O/C=C\\2/C(=O)O[C@H]3[C@@H]2CC4=CC=CC=C34 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It inhibits lateral shoot branching, stimulates germination of Striga, and aids in the symbiosis of over 80% of terrestrial plants with fungi at arbuscular mycorrihizae in roots. Option B: It increases secretion by the exocrine glands, and produces contraction of the iris sphincter muscle and ciliary muscle (when given topically to the eyes) by mainly stimulating muscarinic receptors. Option C: It potentiates the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking cortical and limbic arousal following stimulation of the reticular pathways. Option D: It can potentiate the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking the cortical and limbic arousal that occurs following stimulation of the reticular pathways. " A 16681432 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCCCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It decreases contractility of the uterine smooth muscle. Option B: It causes contraction of the uterus. Option C: It directly stimulates the uterine muscle to increase force and frequency of contractions. Option D: It can decrease blood pressure to realize its physiologic effect. " B 4057195 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C(C=C1)P(=CC(=O)NC(=O)N)(C2=CC=CC=C2)C3=CC=CC=C3 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It inhibits nuclear envelope expansion and nuclear elongation during the closed mitosis of fission yeast. Option B: It impairs energy-requiring processes, such as recovery from potentially lethal damage induced by radiation treatment and some cytotoxic drugs. Option C: It has a minimal side effect profile and uncomplicated metabolic profile, making it suitable for the treatment of mycotic outbreaks such as vaginal yeast infections and athlete's foot. Option D: It has therapeutic effects similar to salicylates, but lacks anti-inflammatory, antiplatelet, and gastric ulcerative effects. " A 6126 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-] Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It increases secretion by the exocrine glands, and produces contraction of the iris sphincter muscle and ciliary muscle (when given topically to the eyes) by mainly stimulating muscarinic receptors. Option B: It binds muscarinic acetycholine receptors and decreases secretory excretion of stomach acids, saliva, and sweat. Option C: It has developmental effects, such as CNS dysfunction, attention deficits, and minor craniofacial and limb anomalies, in the children of pregnant women exposed to high levels of this molecule or mixed solvents by inhalation. Option D: It can increase cyclic AMP, which is associated with relaxation of bronchial smooth muscle and inhibition of release of hypersensitivity mediators from mast cells in the lungs. " B 6445540 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has microtubule inhibition. Option B: It inhibits microtubules. Option C: It can inhibit microtubules. Option D: It leads to suppression of microtubule dynamics. " D 6436135 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC(CC)(CC(=O)NC1=CC=CC(=C1)/C=C/C2=NC(=CS2)C3CCC3)C(=O)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can increase cyclic AMP, which is associated with relaxation of bronchial smooth muscle and inhibition of release of hypersensitivity mediators from mast cells in the lungs. Option B: It produces smooth muscle relaxation and bronchodilation by acting on M3 muscarinic receptors in the airways. Option C: It increases secretion by the exocrine glands, and produces contraction of the iris sphincter muscle and ciliary muscle (when given topically to the eyes) by mainly stimulating muscarinic receptors. Option D: It prevents airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus. " D 10090485 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=NC(=CC=C1)C2=NN3CCCC3=C2C4=C5C=C(C=CC5=NC=C4)C(=O)N Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It leads to aberrant cell growth and proliferation in some cancers. Option B: It induces cell death and growth arrest in Burkitt lymphoma cell lines at low concentrations. Option C: It blocks TGF-beta-mediated tumor growth in glioblastoma. Option D: It induces cell cycle arrest and apoptosis in various cancer cells. " C 71306355 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)N1C(=NC(=N1)CC(=O)O)C2=CC=C(C=C2)Cl Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It increases large intestinal motility and inhibits large intestine fluid/electrolyte absorption. Option B: It produces bleaching of new growth on a variety of dicotyledonous weeds and is a potent inhibitor of Arabidopsis seedling growth. Option C: It causes longstanding nicotinic receptor activation, resulting in spastic paralysis of susceptible nematodes (worms). Option D: It potentiates the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking cortical and limbic arousal following stimulation of the reticular pathways. " B 2717 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1C(S(=O)(=O)CCC1=O)C2=CC=C(C=C2)Cl Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It inhibits lateral shoot branching, stimulates germination of Striga, and aids in the symbiosis of over 80% of terrestrial plants with fungi at arbuscular mycorrihizae in roots. Option B: It potentiates the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking cortical and limbic arousal following stimulation of the reticular pathways. Option C: It increases secretion by the exocrine glands, and produces contraction of the iris sphincter muscle and ciliary muscle (when given topically to the eyes) by mainly stimulating muscarinic receptors. Option D: It can potentiate the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking the cortical and limbic arousal that occurs following stimulation of the reticular pathways. " D 135415867 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can exhibit centrally-mediated muscle relaxation as its physiologic effect. Option B: It can decrease blood pressure to realize its physiologic effect. Option C: It exhibits decreased platelet production as its physiologic effect. Option D: It exhibits decreased blood pressure as its physiologic effect. " B 71657455 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CN=C2)F)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It mimics epilepsy by blocking the inhibitory action of GABA receptors. Option B: It induces cell cycle arrest and apoptosis in various cancer cells. Option C: It leads to aberrant cell growth and proliferation in some cancers. Option D: It induces cell death and growth arrest in Burkitt lymphoma cell lines at low concentrations. " C 5546 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It induces apoptosis and displays antitumour effects. Option B: It induces cell cycle arrest and apoptosis in various cancer cells. Option C: It induces autophagy in leukaemia cells. Option D: It is associated with a risk of producing hyperkalemia. " D 443872 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can produce sustained increases in plasma renin and serum aldosterone, consistent with inhibition of the negative regulatory feedback of aldosterone on renin secretion. Option B: It has developmental effects, such as CNS dysfunction, attention deficits, and minor craniofacial and limb anomalies, in the children of pregnant women exposed to high levels of this molecule or mixed solvents by inhalation. Option C: It produces anti-androgenic effects in animals by reducing testosterone production and, at very high levels, reducing estrogen production, possibly by inhibiting testicular and ovarian steroidogenesis. Option D: It induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua through its inhibition of progesterone. " A 26879 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CSC2=N[C@H](CN21)C3=CC=CC=C3 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It causes longstanding nicotinic receptor activation, resulting in spastic paralysis of susceptible nematodes (worms). Option B: It can cause noncirrhotic portal hypertension due to hepatoportal sclerosis and nodular regenerative hyperplasia with long term therapy. Option C: It has the ability to cause serious adverse effects, including agranulocytosis. Option D: It can cause transient serum enzyme elevations during therapy, rare cases of cholestatic hepatitis, instances of nodular regenerative hyperplasia, and sinusoidal obstruction syndrome when given in high doses. " C 10220503 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC(=O)NC[C@@H]1C[C@H]1C2=C3CCOC3=CC=C2 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can cause increased amount of this molecule in the blood of premature infants, which is marked by decreased motor activity, lethargy and poor feeding. Option B: It can cause an extension of the 24-hour circadian cycle and can lead to progressively delayed sleep onset. Option C: It does not result in developmental effects during inhalation exposure in animal studies, but reproductive effects such as a decrease in fertility, reduced testicular weights, and decreased sperm production have been noted. Option D: It can cause nervous stimulation at low to moderate activation levels, but overstimulation and blockage of the receptors at high levels, leading to paralysis and death. " B 2381 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It exhibits central nervous system stimulation. Option B: It can stimulate the central nervous system. Option C: It stimulates the central nervous system. Option D: It has effects in both the central and peripheral nervous systems. " D 6000 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It exhibits decreased central nervous system disorganized electrical activity as its physiologic effect. Option B: It can decrease central nervous system disorganized electrical activity to realize its physiologic effect. Option C: It exhibits the physiologic effect of decreased central nervous system disorganized electrical activity. Option D: It has positively reinforcing properties based on two types of central nervous system effects. " D 54677470 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has shown similar efficacy to theophylline in the treatment of asthma, but with significantly fewer side effects in animal and human studies. Option B: It demonstrates a high level of therapeutic efficacy and low risk of adverse effects during long-term treatment. Option C: It is a preferential COX-2 inhibitor, purportedly reducing the risk of adverse gastrointestinal tract effects. Option D: It has a decreased incidence of adverse effects compared to high dose monotherapy in the treatment of moderate hypertension. " C 135409642 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OCC6=C(OC(=O)O6)C Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can cause nervous stimulation at low to moderate activation levels, but overstimulation and blockage of the receptors at high levels, leading to paralysis and death. Option B: It can lower blood pressure and reduce the risk of fatal and nonfatal cardiovascular events, primarily strokes and myocardial infarctions. Option C: It can cause nervous stimulation at low to moderate activation levels, but overstimulation and receptor blockage at high levels, leading to paralysis and death. Option D: It improves cardiac function, reduces afterload, increases cardiac output, and prevents ventricular hypertrophy and remodeling. " B 6292 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It is a sedative-hypnotic drug that is similar in effect to barbiturates, a general central nervous system depressant. Option B: It is known to exacerbate psychopathological symptoms in schizophrenic patients, but there is no evidence of similar effects in healthy subjects. Option C: It demonstrates sedative, hypnotic, and anticonvulsant effects. Option D: It does not aggravate psychotic symptoms in patients with schizophrenia or schizoaffective disorders. " A 60198 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has a curative effect and a preventative effect. Option B: It irreversibly binds to the active site of the enzyme resulting in permanent inhibition. Option C: It has a comparatively favorable adverse effect profile. Option D: It has a very high potency and a comparable side effect profile to the parent compound. " B 5002 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has a decreased incidence of adverse effects compared to high dose monotherapy in the treatment of moderate hypertension. Option B: It demonstrates a high level of therapeutic efficacy and low risk of adverse effects during long-term treatment. Option C: It has shown similar efficacy to theophylline in the treatment of asthma, but with significantly fewer side effects in animal and human studies. Option D: It has reproductive effects in women exposed by inhalation to high levels and adverse effects on the developing fetus in animal tests. " B 3038522 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It leads to earlier disease relapse and shorter survival rates in AML patients with FLT3 mutations. Option B: It does not aggravate psychotic symptoms in patients with schizophrenia or schizoaffective disorders. Option C: It impairs energy-requiring processes, such as recovery from potentially lethal damage induced by radiation treatment and some cytotoxic drugs. Option D: It causes debilitating symptoms, significant functional limitations, and a reduced quality of life in patients with tenosynovial giant cell tumors. " A 3108 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It exhibits decreased platelet production as its physiologic effect. Option B: It can decrease platelet aggregation. Option C: It exhibits decreased platelet aggregation. Option D: It decreases prostaglandin production and platelet aggregation. " C 60947 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It decreases platelet aggregation. Option B: It can decrease platelet aggregation. Option C: It exhibits decreased platelet aggregation. Option D: It decreases prostaglandin production and platelet aggregation. " C 4369359 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It leads to glucose dependent increases in insulin and decreases in glucagon to improve control of blood sugar. Option B: It increases peripheral glucose utilization, decreases hepatic gluconeogenesis, and may increase the number and sensitivity of insulin receptors. Option C: It raises blood sugar through activation of hepatic receptors, stimulating glycogenolysis and the release of glucose. Option D: It can increase peripheral glucose utilization, decrease hepatic gluconeogenesis, and may increase the number and sensitivity of insulin receptors. " A 2265 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-] Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It is associated with elevations in serum aminotransferase levels, acute liver injury, and noncirrhotic portal hypertension with long-term use. Option B: It is associated with mild, asymptomatic and self-limited serum aminotransferase elevations during therapy that are usually accompanied by an increase in hepatic fat. Option C: It can cause transient mild-to-moderate serum aminotransferase elevations during the first 1 or 2 weeks of treatment, but has not been implicated in cases of clinically apparent liver injury with jaundice. Option D: It has been linked to mild, transient elevations in serum aminotransferase levels during therapy as well as rare instances of idiosyncratic drug-induced liver disease. " A 4235 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can cause nervous stimulation at low to moderate activation levels, but overstimulation and blockage of the receptors at high levels, leading to paralysis and death. Option B: It can mimic the natural effects of the body's opioids, endorphins, and enkephalins through the release of neurotransmitters involved in pain transmission. Option C: It decreases the metabolism and destruction of monoamines in the neurotransmitters. Option D: It works by blocking the transporter reuptake proteins for key neurotransmitters affecting mood, leaving more active neurotransmitter in the synapse. " C 5833 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can promote sodium and water excretion and potassium retention by competitively inhibiting mineralocorticoid receptors in the distal convoluted tubule. Option B: It produces smooth muscle relaxation and bronchodilation by acting on M3 muscarinic receptors in the airways. Option C: It increases secretion by the exocrine glands, and produces contraction of the iris sphincter muscle and ciliary muscle (when given topically to the eyes) by mainly stimulating muscarinic receptors. Option D: It can increase cyclic AMP, which is associated with relaxation of bronchial smooth muscle and inhibition of release of hypersensitivity mediators from mast cells in the lungs. " A 34312 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It exhibits decreased central nervous system disorganized electrical activity. Option B: It can decrease central nervous system disorganized electrical activity. Option C: It decreases central nervous system disorganized electrical activity. Option D: It exhibits the physiologic effect of decreased central nervous system disorganized electrical activity. " B 65999 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can potentiate the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking the cortical and limbic arousal that occurs following stimulation of the reticular pathways. Option B: It decreases systemic vascular resistance by blocking the vasoconstrictor and aldosterone-stimulating effects of angiotensin II. Option C: It can cause inhibition of the action of angiotensin II on vascular smooth muscle, leading to a reduction in arterial blood pressure. Option D: It potentiates the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking cortical and limbic arousal following stimulation of the reticular pathways. " C 108150 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can bind to the minor groove of DNA interfering with cell division and genetic transcription processes and DNA repair machinery. Option B: It causes interstrand linkages in DNA resulting in cell apoptosis. Option C: It induces cell cycle arrest and apoptosis in various cancer cells. Option D: It results in the formation of defective cell walls and cell death by binding to certain enzymes. " A 3589 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It causes central nervous system depression and irritation of the eyes and mucous membranes upon acute exposure in humans. Option B: It causes mucous membrane and eye irritation, and gastrointestinal effects. Option C: It can have effects on the liver and central nervous system from oral exposure in animal studies. Option D: It causes severe respiratory tract irritation and inflammation in humans upon acute inhalation exposure. " C 441243 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It may result in an exacerbation of the underlying chronic hepatitis B or C. Option B: It is known to exacerbate psychopathological symptoms in schizophrenic patients, but there is no evidence of similar effects in healthy subjects. Option C: It may exacerbate underlying chronic hepatitis B or C in coinfected patients. Option D: It does not aggravate psychotic symptoms in patients with schizophrenia or schizoaffective disorders. " A 9568614 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It prevents the final step in gastric acid production. Option B: It can decrease motility of the gastrointestinal and urinary tracts and inhibit gastric acid secretion. Option C: It inhibits gastric acid secretion. Option D: It decreases prostaglandin production and platelet aggregation. " A 9651 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It increases acetylcholine neurotransmission by blocking its breakdown in the synaptic cleft. Option B: It is the prototypical agonist at nicotinic cholinergic receptors, dramatically stimulating neurons and ultimately blocking synaptic transmission. Option C: It dramatically stimulates neurons and ultimately blocks synaptic transmission as the prototypical agonist at nicotinic cholinergic receptors. Option D: It inhibits acetylcholine hydrolysis and enhances cholinergic function through the accumulation of acetylcholine at cholinergic synapses. " A 10280735 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It inhibits root development and growth. Option B: It inhibits DNA synthesis and stops the growth of cancer cells. Option C: It prevents the stepwise amplification of protein factors needed to form blood clots by inhibiting factor Xa. Option D: It inhibits DNA synthesis and causes cell death. " C 60823 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can increase peripheral glucose utilization, decrease hepatic gluconeogenesis, and may increase the number and sensitivity of insulin receptors. Option B: It decreases hepatic cholesterol levels, increases hepatic uptake of cholesterol, and reduces plasma cholesterol levels. Option C: It increases peripheral glucose utilization, decreases hepatic gluconeogenesis, and may increase the number and sensitivity of insulin receptors. Option D: By inhibiting the endogenous production of cholesterol within the liver, it lowers abnormal cholesterol and lipid levels and ultimately reduces the risk of cardiovascular disease. " B 6468 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has dissociative anaesthetic, hallucinogenic, and stimulant effects. Option B: It can produce a dissociative state, similar to ketamine. Option C: It induces an early insulin response to meals, decreasing postprandial blood glucose levels. Option D: It is a hallucinogen and causes marked, long-lasting changes in brain serotonergic systems. " B 477468 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)[C@@H](CC(=O)N)O)C)O)O)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has a minimal side effect profile and uncomplicated metabolic profile, making it suitable for the treatment of mycotic outbreaks such as vaginal yeast infections and athlete's foot. Option B: It inhibits the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall, as an echinocandin antifungal. Option C: It increases cellular permeability causing leakage of cellular contents by inhibiting the synthesis of ergosterol, an essential component of the fungal cell membrane. Option D: It can cause noncirrhotic portal hypertension due to hepatoportal sclerosis and nodular regenerative hyperplasia with long term therapy. " B 25151504 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has a minimal side effect profile and uncomplicated metabolic profile, making it suitable for the treatment of mycotic outbreaks such as vaginal yeast infections and athlete's foot. Option B: It is not associated with significantly adverse cardiopulmonary side effects, unlike nonselective beta-blockers used in ocular hypertension. Option C: It has a decreased incidence of adverse effects compared to high dose monotherapy in the treatment of moderate hypertension. Option D: It allows for better treatment outcomes and a decreased side effect profile by increasing systemic exposure of anti-retrovirals (ARVs) without increasing dosage. " D 942 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCCC1C2=CN=CC=C2 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It dramatically stimulates neurons and ultimately blocks synaptic transmission as the prototypical agonist at nicotinic cholinergic receptors. Option B: It inhibits acetylcholine hydrolysis and enhances cholinergic function through the accumulation of acetylcholine at cholinergic synapses. Option C: It is the prototypical agonist at nicotinic cholinergic receptors, dramatically stimulating neurons and ultimately blocking synaptic transmission. Option D: It increases acetylcholine neurotransmission by blocking its breakdown in the synaptic cleft. " A 3440 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It exhibits increased diuresis as its physiologic effect. Option B: It exhibits increased cellular death as its physiologic effect. Option C: It can exhibit increased diuresis as its physiologic effect. Option D: It exhibits increased diuresis at the loop of Henle as its physiologic effect. " D 60846 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can lower blood pressure and reduce the risk of fatal and nonfatal cardiovascular events, primarily strokes and myocardial infarctions. Option B: By inhibiting the endogenous production of cholesterol within the liver, it lowers abnormal cholesterol and lipid levels and ultimately reduces the risk of cardiovascular disease. Option C: It improves cardiac function, reduces afterload, increases cardiac output, and prevents ventricular hypertrophy and remodeling. Option D: It can increase cyclic AMP, which is associated with relaxation of bronchial smooth muscle and inhibition of release of hypersensitivity mediators from mast cells in the lungs. " C 54676038 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It prevents carboxylation of vitamin K-dependent clotting factors and interferes with coagulation. Option B: It can inhibit vitamin K reductase, resulting in depletion of the reduced form of vitamin K (vitamin KH2). Option C: It can effectively and safely increase lumbar and hip bone mineral density in osteoporotic patients who also received vitamin D3 supplementation. Option D: It inhibits vitamin K reductase, resulting in depletion of the reduced form of vitamin K (vitamin KH2). " D 4976 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CNCCCC1C2=CC=CC=C2C=CC3=CC=CC=C13 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It blocks serotonin reuptake and increases serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors during acute use. Option B: It can down-regulate cerebral cortical β-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. Option C: It blocks serotonin reuptake and increases serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors during acute use. Option D: It down-regulates cerebral cortical β-adrenergic receptors and sensitizes post-synaptic serotonergic receptors with chronic use. " D 65015 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It exhibits increased hematopoietic stem cell mobilization. Option B: It exhibits increased cellular death as its physiologic effect. Option C: It can exhibit increased diuresis as its physiologic effect. Option D: It exhibits increased diuresis as its physiologic effect. " A 644073 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has serious side effects including allergic reactions, irregular heartbeats, and low or high blood pressure, as well as less serious side effects such as headaches, insomnia, and impotence. Option B: Its antianginal effects were identified after it produced headaches in factory workers and relief from chest pain in workers with angina pectoris or heart failure. Option C: It dissociates from opioid receptors very slowly, resulting in a long duration of action and relief from pain or withdrawal symptoms for upwards of 24-36 hours. Option D: It is accompanied by a wide range of symptoms, from mental and physical retardation to poor intellectual functioning, emotional instability, tremor, ataxia, and psychosis. " C 23652731 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It reduces the accumulation of glucosylceramide by inhibiting glucosylceramide synthase. Option B: It raises blood sugar through activation of hepatic receptors, stimulating glycogenolysis and the release of glucose. Option C: It increases peripheral glucose utilization, decreases hepatic gluconeogenesis, and may increase the number and sensitivity of insulin receptors. Option D: It leads to glucose dependent increases in insulin and decreases in glucagon to improve control of blood sugar. " A 2315 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C(C=C1)CC2NC3=C(C=C(C(=C3)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N2 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can decrease blood pressure to realize its physiologic effect. Option B: It exhibits increased cellular death as its physiologic effect. Option C: It can decrease cell membrane integrity to realize its physiologic effect. Option D: It exhibits increased diuresis as its physiologic effect. " D 132706 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC1=NN(C(=N1)CCCC)CC2=CN=C(C=C2)C3=CC=CC=C3C4=NNN=N4 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It potentiates the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking cortical and limbic arousal following stimulation of the reticular pathways. Option B: It can potentiate the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking the cortical and limbic arousal that occurs following stimulation of the reticular pathways. Option C: It decreases systemic vascular resistance by blocking the vasoconstrictor and aldosterone-stimulating effects of angiotensin II. Option D: It increases secretion by the exocrine glands, and produces contraction of the iris sphincter muscle and ciliary muscle (when given topically to the eyes) by mainly stimulating muscarinic receptors. " C 10237 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It is the prototypical agonist at nicotinic cholinergic receptors, dramatically stimulating neurons and ultimately blocking synaptic transmission. Option B: It mimics epilepsy by blocking the inhibitory action of GABA receptors. Option C: It increases acetylcholine neurotransmission by blocking its breakdown in the synaptic cleft. Option D: It dramatically stimulates neurons and ultimately blocks synaptic transmission as the prototypical agonist at nicotinic cholinergic receptors. " B 123619 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It selectively inhibits isoform 2 of cyclo-oxigenase enzyme (COX-2) to reduce the generation of prostaglandins (PGs) from arachidonic acid. Option B: It promotes insulin sensitivity and the improved uptake of blood glucose via agonism at the peroxisome proliferator-activated receptor-gamma (PPARγ). Option C: It decreases systemic vascular resistance by blocking the vasoconstrictor and aldosterone-stimulating effects of angiotensin II. Option D: It induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua through its inhibition of progesterone. " A 15376 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It decreases blood pressure. Option B: It exhibits decreased blood pressure. Option C: It increases the regional cerebral blood flow. Option D: It can cause decreased blood pressure. " C 5735 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It inhibits lateral shoot branching, stimulates germination of Striga, and aids in the symbiosis of over 80% of terrestrial plants with fungi at arbuscular mycorrihizae in roots. Option B: It acts indiscriminately at the benzodiazepine binding site on α1, α2, α3 and α5 GABAA containing receptors as full agonists, causing an enhancement of the inhibitory actions of GABA to produce the therapeutic (hypnotic and anxiolytic) and adverse effects of zopiclone, similar to benzodiazepines. Option C: It is limited by the development of movement disorders induced by dopamine-blockade, such as drug-induced parkinsonism, akathisia, dystonia, tardive dyskinesia, as well as other side effects including sedation, weight gain, and prolactin changes. Option D: It blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors, depresses the release of hypothalamic and hypophyseal hormones, and affects basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis. " B 441140 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can disrupt (depolymerize) microtubules, blocking anisotropic growth of plant cells. Option B: It exhibits microtubule inhibition as its physiologic effect. Option C: It exhibits decreased mitosis and microtubule inhibition as its physiologic effects. Option D: It can interfere with cell functions, such as meiosis and intracellular transportation, by binding to microtubules. " C 3559 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It inhibits lateral shoot branching, stimulates germination of Striga, and aids in the symbiosis of over 80% of terrestrial plants with fungi at arbuscular mycorrihizae in roots. Option B: It can bind to 5-HT type 1A serotonin receptors on presynaptic neurons in the dorsal raphe and on postsynaptic neurons in the hippocampus, thus inhibiting the firing rate of 5-HT-containing neurons in the dorsal raphe. Option C: It is limited by the development of movement disorders induced by dopamine-blockade, such as drug-induced parkinsonism, akathisia, dystonia, tardive dyskinesia, as well as other side effects including sedation, weight gain, and prolactin changes. Option D: It blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors, depresses the release of hypothalamic and hypophyseal hormones, and affects basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis. " C 1935 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)N Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It inhibits acetylcholine hydrolysis and enhances cholinergic function through the accumulation of acetylcholine at cholinergic synapses. Option B: It acts by blocking central cholinergic receptors and balancing cholinergic and dopaminergic activity in the basal ganglia. Option C: It can inhibit the hydrolysis of acetylcholine released from functioning cholinergic neurons. Option D: It is a competitive, reversible antagonist of muscarinic receptors and blocks the effects of acetylcholine and other choline esters. " C 57363 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has developmental effects, such as CNS dysfunction, attention deficits, and minor craniofacial and limb anomalies, in the children of pregnant women exposed to high levels of this molecule or mixed solvents by inhalation. Option B: It can cause transient serum enzyme elevations during therapy, rare cases of cholestatic hepatitis, instances of nodular regenerative hyperplasia, and sinusoidal obstruction syndrome when given in high doses. Option C: It can cause noncirrhotic portal hypertension due to hepatoportal sclerosis and nodular regenerative hyperplasia with long term therapy. Option D: It can target the underlying disease by blocking the effects of the primary androgen involved in benign prostate hyperplasia and androgenic alopecia. " D 4886 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCOC1=CC=C(C=C1)OCCCN2CCOCC2 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can cause nervous stimulation at low to moderate activation levels, but overstimulation and blockage of the receptors at high levels, leading to paralysis and death. Option B: It prevents ionic fluctuations needed for neuron membrane depolarization and action potential propagation. Option C: It improves cardiac function, reduces afterload, increases cardiac output, and prevents ventricular hypertrophy and remodeling. Option D: It can cause nervous stimulation at low to moderate activation levels, but overstimulation and receptor blockage at high levels, leading to paralysis and death. " B 2585 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has reproductive effects in women exposed by inhalation to high levels and adverse effects on the developing fetus in animal tests. Option B: It has a decreased incidence of adverse effects compared to high dose monotherapy in the treatment of moderate hypertension. Option C: It is known to exacerbate psychopathological symptoms in schizophrenic patients, but there is no evidence of similar effects in healthy subjects. Option D: It has shown similar efficacy to theophylline in the treatment of asthma, but with significantly fewer side effects in animal and human studies. " B 159269 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has good tolerance, lack of toxicity, and no dose-limiting side effects. Option B: It is known to exacerbate psychopathological symptoms in schizophrenic patients, but there is no evidence of similar effects in healthy subjects. Option C: It is not associated with significantly adverse cardiopulmonary side effects, unlike nonselective beta-blockers used in ocular hypertension. Option D: It has a decreased incidence of adverse effects compared to high dose monotherapy in the treatment of moderate hypertension. " A 5487 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can cause nervous stimulation at low to moderate activation levels, but overstimulation and receptor blockage at high levels, leading to paralysis and death. Option B: It can reduce spasticity by increasing presynaptic inhibition of motor neurons. Option C: It may work by suppressing repetitive neuronal firing through inhibition of voltage-sensitive sodium channels. Option D: It can induce vasodilation of arterioles and large coronary arteries by activating potassium channels. " B 392622 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It may exacerbate underlying chronic hepatitis B or C in coinfected patients. Option B: It may result in an exacerbation of the underlying chronic hepatitis B or C. Option C: It may result in an exacerbation of the underlying chronic hepatitis B or C in HBV or HCV coinfected patients receiving highly active antiretroviral therapy. Option D: It may result in an exacerbation of the underlying chronic hepatitis B or C in HBV or HCV coinfected patients. " C 445420 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(\\CC/C=C/C=C1)/C Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It prevents ionic fluctuations needed for neuron membrane depolarization and action potential propagation. Option B: It improves cardiac function, reduces afterload, increases cardiac output, and prevents ventricular hypertrophy and remodeling. Option C: It impairs energy-requiring processes, such as recovery from potentially lethal damage induced by radiation treatment and some cytotoxic drugs. Option D: It disrupts actin polymerization, prevents mitotic spindle formation, and inhibits cell replication. " D 92425 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It stimulates red blood cell production in response to low oxygen levels. Option B: It exhibits decreased blood pressure as its physiologic effect. Option C: It can cause porphyrin accumulation, photosensitization, and membrane lipid peroxidation. Option D: It can catalyze free radical formation and lipid peroxidation as well as the presence of interactions of iron in plasma. " C 4201 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It exhibits increased hematopoietic stem cell mobilization. Option B: It lowers blood pressure through arteriolar vasodilation. Option C: It exhibits arteriolar vasodilation. Option D: It can cause arteriolar vasodilation. " C 50294 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It exhibits decreased histamine release. Option B: It exhibits decreased blood pressure. Option C: It can decrease histamine release. Option D: It decreases blood pressure. " A 25074470 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It is more potent and safer than ethinylestradiol, reducing the environmental accumulation of unwanted endocrine disrupting chemicals and harmful epigenetic effects. Option B: It can cause noncirrhotic portal hypertension due to hepatoportal sclerosis and nodular regenerative hyperplasia with long term therapy. Option C: It possesses greater potency than endogenous LHRH and can reversibly repress gonadotropin secretion. Option D: It can cause transient serum enzyme elevations during therapy, rare cases of cholestatic hepatitis, instances of nodular regenerative hyperplasia, and sinusoidal obstruction syndrome when given in high doses. " C 5482 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It inhibits ergosterol synthesis, resulting in increased cellular permeability. Option B: It inhibits ergosterol synthesis, resulting in increased cellular permeability and leakage of cellular contents. Option C: It increases large intestinal motility and inhibits large intestine fluid/electrolyte absorption. Option D: It increases cellular permeability causing leakage of cellular contents by inhibiting the synthesis of ergosterol, an essential component of the fungal cell membrane. " A 24965990 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It is limited by the development of movement disorders induced by dopamine-blockade, such as drug-induced parkinsonism, akathisia, dystonia, tardive dyskinesia, as well as other side effects including sedation, weight gain, and prolactin changes. Option B: It does not result in developmental effects during inhalation exposure in animal studies, but reproductive effects such as a decrease in fertility, reduced testicular weights, and decreased sperm production have been noted. Option C: It is a selective dual antagonist of orexin receptors OX1R and OX2R, promoting sleep by reducing wakefulness and arousal. Option D: It has developmental effects, such as CNS dysfunction, attention deficits, and minor craniofacial and limb anomalies, in the children of pregnant women exposed to high levels of this molecule or mixed solvents by inhalation. " C 135463437 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1[C@@H]2[C@@H](C([C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)(O)O)OP(=O)(O1)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can cause elevated blood levels of ammonia, leading to neurologic problems, cerebral edema, coma, and death in a rare genetic disorder. Option B: It can cause metabolic acidosis, intracranial hemorrhage, feeding difficulties, and significant neurological symptoms. Option C: It has developmental effects, such as CNS dysfunction, attention deficits, and minor craniofacial and limb anomalies, in the children of pregnant women exposed to high levels of this molecule or mixed solvents by inhalation. Option D: It can cause transient serum enzyme elevations during therapy, rare cases of cholestatic hepatitis, instances of nodular regenerative hyperplasia, and sinusoidal obstruction syndrome when given in high doses. " B 5281037 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\\CC3=CC=CS3)/C(=O)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can increase norepinephrine activity. Option B: It has longer acting adrenergic effects compared to norepinephrine. Option C: It can increase norepinephrine and dopamine efflux throughout the brain, impair cognition, and have locomotor-activating effects. Option D: It can inhibit norepinephrine production and reduce blood pressure. " D 3902 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can cause signs and symptoms of hypoestrogenism. Option B: It can be associated with mild serum enzyme elevations and has been linked to rare instances of clinically apparent liver injury. Option C: It causes clinically apparent acute liver injury and rare instances of death. Option D: It is associated with transient serum enzyme elevations during therapy and with rare instances of acute liver injury. " A 4909 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It exhibits a decreased central nervous system disorganized electrical activity. Option B: It decreases central nervous system disorganized electrical activity. Option C: It can exhibit a decreased central nervous system disorganized electrical activity. Option D: It exhibits decreased central nervous system disorganized electrical activity. " C 53465279 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can reduce serum uric acid concentration through the inhibition of URAT1 and OAT4. Option B: It reduces serum uric acid levels by inhibiting the activity of an enzyme responsible for the synthesis of uric acid. Option C: It raises blood sugar through activation of hepatic receptors, stimulating glycogenolysis and the release of glucose. Option D: It leads to glucose dependent increases in insulin and decreases in glucagon to improve control of blood sugar. " A 92727 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It may exacerbate underlying chronic hepatitis B or C in coinfected patients. Option B: It can cause noncirrhotic portal hypertension due to hepatoportal sclerosis and nodular regenerative hyperplasia with long term therapy. Option C: It may result in an exacerbation of the underlying chronic hepatitis B or C in HBV or HCV coinfected patients receiving highly active antiretroviral therapy. Option D: It may result in an exacerbation of the underlying chronic hepatitis B or C in HBV or HCV coinfected patients. " D 49803313 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It does not aggravate psychotic symptoms in patients with schizophrenia or schizoaffective disorders. Option B: It has a minimal side effect profile and uncomplicated metabolic profile, making it suitable for the treatment of mycotic outbreaks such as vaginal yeast infections and athlete's foot. Option C: It can exhibit high selectivity to FLT3 preventing the c-Kit-driven myelosuppression observed in other therapies. Option D: Its use has largely been supplanted by triptans in current therapy due to the class's greater selectivity and more favourable side effect profile. " C 68844 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can decrease aqueous humor secretion by inhibiting carbonic anhydrase in the ciliary processes of the eye. Option B: It potentiates the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking cortical and limbic arousal following stimulation of the reticular pathways. Option C: It can increase cyclic AMP, which is associated with relaxation of bronchial smooth muscle and inhibition of release of hypersensitivity mediators from mast cells in the lungs. Option D: It increases secretion by the exocrine glands, and produces contraction of the iris sphincter muscle and ciliary muscle (when given topically to the eyes) by mainly stimulating muscarinic receptors. " A 148192 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can cause transient serum enzyme elevations during therapy, rare cases of cholestatic hepatitis, instances of nodular regenerative hyperplasia, and sinusoidal obstruction syndrome when given in high doses. Option B: It may result in an exacerbation of the underlying chronic hepatitis B or C in HBV or HCV coinfected patients receiving highly active antiretroviral therapy. Option C: It may result in an exacerbation of the underlying chronic hepatitis B or C in HBV or HCV coinfected patients. Option D: It can cause noncirrhotic portal hypertension due to hepatoportal sclerosis and nodular regenerative hyperplasia with long term therapy. " C 154575 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has good tolerance, lack of toxicity, and no dose-limiting side effects. Option B: It has anti-inflammatory effects as a selective PDE4 inhibitor. Option C: It has anti-aging effects and is inversely associated with the development of atherosclerosis. Option D: It has dose-dependent adverse effects and was the first drug to be offered commercially as a transdermal delivery system. " B 2435 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It is not associated with significantly adverse cardiopulmonary side effects, unlike nonselective beta-blockers used in ocular hypertension. Option B: It does not result in developmental effects during inhalation exposure in animal studies, but reproductive effects such as a decrease in fertility, reduced testicular weights, and decreased sperm production have been noted. Option C: It has therapeutic effects similar to salicylates, but lacks anti-inflammatory, antiplatelet, and gastric ulcerative effects. Option D: It has shown similar efficacy to theophylline in the treatment of asthma, but with significantly fewer side effects in animal and human studies. " A 6445540 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It leads to suppression of microtubule dynamics. Option B: It has microtubule inhibition. Option C: It can inhibit microtubules. Option D: It exhibits microtubule inhibition as its physiologic effect. " C 4919 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It acts by blocking central cholinergic receptors and balancing cholinergic and dopaminergic activity in the basal ganglia. Option B: It is the prototypical agonist at nicotinic cholinergic receptors, dramatically stimulating neurons and ultimately blocking synaptic transmission. Option C: It dramatically stimulates neurons and ultimately blocks synaptic transmission as the prototypical agonist at nicotinic cholinergic receptors. Option D: It inhibits acetylcholine hydrolysis and enhances cholinergic function through the accumulation of acetylcholine at cholinergic synapses. " A 16129704 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](CC6=CC=CC=C6)N Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can cause blood stagnation and changes in hematocrit, activated partial thromboplastin time, international normalized ratio, and blood pressure should be monitored. Option B: It can cause transient serum enzyme elevations during therapy, rare cases of cholestatic hepatitis, instances of nodular regenerative hyperplasia, and sinusoidal obstruction syndrome when given in high doses. Option C: It does not result in developmental effects during inhalation exposure in animal studies, but reproductive effects such as a decrease in fertility, reduced testicular weights, and decreased sperm production have been noted. Option D: It can cause a decrease in systemic arterial blood pressure and systemic vascular resistance without a substantial reduction in resting heart rate, cardiac output, or stroke volume, apparently because of its combined α- and β-adrenergic blocking activity. " A 89683805 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has a minimal side effect profile and uncomplicated metabolic profile, making it suitable for the treatment of mycotic outbreaks such as vaginal yeast infections and athlete's foot. Option B: It has therapeutic effects similar to salicylates, but lacks anti-inflammatory, antiplatelet, and gastric ulcerative effects. Option C: It does not result in developmental effects during inhalation exposure in animal studies, but reproductive effects such as a decrease in fertility, reduced testicular weights, and decreased sperm production have been noted. Option D: It acts as an allosteric inhibitor of mutant IDH2 enzyme to prevent cell growth and blocks several other enzymes that play a role in abnormal cell differentiation. " D 86173 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has minimal side effects, with the most common being headache and fatigue. Option B: It has a curative effect and a preventative effect. Option C: It has few side effects and is reported to be safe and effective. Option D: It has side effects that are a cause for concern. " B 5281078 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\\C)/CCC(=O)OCCN3CCOCC3)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It demonstrates increased bioavailability, higher efficacy, and reduced gastrointestinal effects. Option B: It demonstrates a high level of therapeutic efficacy and low risk of adverse effects during long-term treatment. Option C: It is a preferential COX-2 inhibitor, purportedly reducing the risk of adverse gastrointestinal tract effects. Option D: It has a higher incidence of severe adverse effects compared to warfarin. " A 3878 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It exhibits the physiologic effect of decreased central nervous system disorganized electrical activity. Option B: It can decrease central nervous system disorganized electrical activity. Option C: It can exhibit a decreased central nervous system disorganized electrical activity. Option D: It exhibits a decreased central nervous system disorganized electrical activity. " D 60857 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It leads to cranial blood vessel constriction. Option B: It exhibits decreased platelet production as its physiologic effect. Option C: It can decrease blood pressure to realize its physiologic effect. Option D: It exhibits decreased blood pressure as its physiologic effect. " A 3241 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can decrease immunologic activity. Option B: It can decrease blood pressure to realize its physiologic effect. Option C: It can decrease histamine release. Option D: It increases histamine release and cell-mediated immunity. " C 6918456 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can decrease platelet aggregation. Option B: It increases megakaryocyte maturation and platelet production. Option C: It exhibits decreased platelet production as its physiologic effect. Option D: It exhibits decreased platelet aggregation. " A 5210 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It may lead to breathing difficulty. Option B: It suppresses hunger signals and appetite. Option C: It can suppress hunger signals and appetite. Option D: It can suppress appetite. " D 3157 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It has few side effects and is reported to be safe and effective. Option B: It has long-lasting effects and can be administered once a day. Option C: It has side effects that are a cause for concern. Option D: It has minimal side effects, with the most common being headache and fatigue. " B 16132283 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC7=CN=CN7)N)O Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can increase peripheral glucose utilization, decrease hepatic gluconeogenesis, and may increase the number and sensitivity of insulin receptors. Option B: It decreases hepatic cholesterol levels, increases hepatic uptake of cholesterol, and reduces plasma cholesterol levels. Option C: It raises blood sugar through activation of hepatic receptors, stimulating glycogenolysis and the release of glucose. Option D: It increases peripheral glucose utilization, decreases hepatic gluconeogenesis, and may increase the number and sensitivity of insulin receptors. " C 86398 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It can increase peripheral glucose utilization, decrease hepatic gluconeogenesis, and may increase the number and sensitivity of insulin receptors. Option B: It raises blood sugar through activation of hepatic receptors, stimulating glycogenolysis and the release of glucose. Option C: It inhibits transport-associated phosphorylation of glucose, reducing mycelial growth. Option D: It increases peripheral glucose utilization, decreases hepatic gluconeogenesis, and may increase the number and sensitivity of insulin receptors. " C 14677 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42 Question about this molecule: Which kind of effects does this molecule have/exhibit? Option A: It is known to exacerbate psychopathological symptoms in schizophrenic patients, but there is no evidence of similar effects in healthy subjects. Option B: It can antagonize the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. Option C: It blocks the action of endogenous histamine, leading to temporary relief of negative symptoms caused by histamine. Option D: It antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. " C 2336 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3 Question about this molecule: What is the right information about this molecule's environmental impact? Option A: It can easily penetrate the soil and contaminate groundwater and nearby streams. Option B: It easily penetrates the soil to contaminate groundwater and waterways. Option C: It easily penetrates the soil and contaminates groundwater or nearby waterways. Option D: It easily penetrates the soil to contaminate groundwater and nearby waterways. " C 70697735 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1[C@H]([C@H](OC2=C1C(=CC(=C2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C4=CC(=C(C=C4)O)O)O Question about this molecule: What is the enzyme inhibition of this molecule? Option A: It inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT). Option B: It potently inhibits lipid peroxidation in mitochondria and inhibits TNF-alpha-induced NFkappaB activation. Also shown to inhibit topoisomerase II activity in vitro (IC50 = 7.41 muM). Option C: It is a dual inhibitor of acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2). Option D: It acts as an inhibitor of the enzyme mu-calpain (EC 3.4.22.52). " D 25178184 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=C(O3)C4=CC(=C(C=C4)C[C@@H](C(=C)C)O)O)O)CCC(O2)(C)C)C Question about this molecule: What is the enzyme inhibition of this molecule? Option A: It is an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor. Option B: It exhibits alpha-glucosidase inhibitory activity. Option C: It exhibits inhibitory activity against alpha-amylase and lipase. Option D: It acts as an inhibitor of the enzyme mu-calpain (EC 3.4.22.52). " B 25178185 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=CCC1=C(C=C(C=C1)C2=C(C(=O)C3=C4C(=C5C(=C3O2)CCC(O5)(C)C)CCC(O4)(C)C)O)O)C Question about this molecule: What is the enzyme inhibition of this molecule? Option A: It exhibits alpha-glucosidase inhibitory activity. Option B: It exhibits inhibitory activity against alpha-amylase and lipase. Option C: It is an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor. Option D: It acts as an inhibitor of the enzyme mu-calpain (EC 3.4.22.52). " A 54677470 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O Question about this molecule: Which kind of half-life does this molecule have/exhibit? Option A: It has a longer terminal elimination half-life than other drugs in this class. Option B: It has a longer half-life than most other NSAIDs. Option C: It has a longer half-life than somatostatin. Option D: It has a longer elimination half-life than any currently available cephalosporin. " B 134160274 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)O Question about this molecule: Which kind of half-life does this molecule have/exhibit? Option A: It has a short half-life. Option B: It has a long half-life. Option C: It has a very long half-life. Option D: It has a very short half-life. " A 447043 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O Question about this molecule: Which kind of half-life does this molecule have/exhibit? Option A: It has a very long half-life. Option B: It has a short half-life. Option C: It has a very short half-life. Option D: It has a long half-life. " D 6918140 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O Question about this molecule: Which kind of half-life does this molecule have/exhibit? Option A: It has a half-life of about 70 hours. Option B: It has a half-life of around 120 days. Option C: It has a short half-life of 3-5 minutes. Option D: It has a half-life of 110 minutes. " C 129900394 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C1=C[C@@]23[C@H](CC1)[C@]4(CCCC([C@@H]4C[C@H]2O)(C)C)C(=O)O3 Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It has shown inhibitory activity against biofilm formation of the dental bacterium Streptococcus mutans. Option B: It inhibits urate crystal deposition, possibly by inhibiting oxidation of glucose and subsequent lactic acid production in leukocytes. Option C: It inhibits excitatory neurotransmission through actions on kainate and AMPA receptors. Option D: It acts as a pharmacoenhancer in treatment of HIV-1 by inhibiting P450 enzymes that metabolise other medications. " A 136234286 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCCCCCC(C(C)(C)C(=O)NC1CCCCN(C1=O)O)OC(=O)[C@H](CCCCN(C=O)O)NC(=O)C2=C(OC(=N2)C3=CC=CC=C3O)C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits competitive inhibitory activity on tyrosinase in melanocytes. Option B: It is a potent inhibitor of actin polymerisation and DNA synthesis. Option C: It exerts an inhibitory effect on lipid peroxidation. Option D: It exhibits potent inhibitory activity towards mitochondrial NADH oxidase. " C 441764 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=CC(=C1)[C@H]2[C@@H](C3=C(O2)C(=CC(=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)O)CO)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activities against lipoxygenase and prostaglandin synthetase. Option B: It exhibits inhibitory activity against COX-2 and 5-lipooxygenase. Option C: It exhibits inhibitory activity against cyclooxygenase 1 and 2. Option D: It exhibits inhibitory activity against arachidonate 15-lipoxygenase. " A 442127 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1([C@H](CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: Ethion is an organophosphate insecticide with inhibitory activity towards the enzyme acetylcholinesterase (EC 3.1.1.7). Option B: It inhibits acetylcholinesterase, which breaks down acetylcholine to terminate signals from receptors. Option C: It exhibits inhibitory activity against acetylcholinesterase. Option D: It possesses significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7). " D 70697743 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N1)CC(=O)N)CO)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It has shown inhibitory activity against biofilm formation of the dental bacterium Streptococcus mutans. Option B: It possesses potent inhibitory activity against HT-29 colonic adenocarcinoma cells. Option C: It acts as a pharmacoenhancer in treatment of HIV-1 by inhibiting P450 enzymes that metabolise other medications. Option D: It exhibits inhibitory activity toward the spore germination of Cladosporium phlei. " D 51042201 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCCC3=CC=C(C=C3)O)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)(CO)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity against NF-kappaB. Option B: It exhibits inhibitory activity against chymotrypsin. Option C: It exhibits inhibitory activities against aromatase and NF-kappaB. Option D: It exhibits inhibitory activity against HIV-1 integrase. " C 191158 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC(=C2C3=C1OCC(C3OC4=C(C2=O)C(=C(C=C4)CC=C(C)C)O)C(C)(C)O)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity against hepatitis C protease. Option B: It exhibits inhibitory activity against chymotrypsin. Option C: It exhibits inhibitory activity against tyrosinase. Option D: It exhibits inhibitory activity against NF-kappaB. " A 21580417 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C2CC(=O)OC(C2=CC[C@]3([C@H]1C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity against chymotrypsin. Option B: It exhibits inhibitory activity against caspase-1. Option C: It exhibits inhibitory activity against tyrosinase. Option D: It exhibits inhibitory activity against HIV-1 integrase. " B 57398143 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@]12CCC(=O)OC([C@@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity on ADP-mediated platelet activation and aggregation. Option B: It exhibits inhibitory activity on the influx of extracellular calcium across both the myocardial and vascular smooth muscle cell membranes. Option C: It exhibits inhibitory activity on PAR-1, a thrombin receptor expressed on platelets. Option D: It exhibits inhibitory activity against the production of interleukin 1-beta from induced inflammasomes. " D 445420 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(\\CC/C=C/C=C1)/C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits actin polymerization, microfilament organization, and microfilament-mediated processes. Option B: It inhibits urate crystal deposition, possibly by inhibiting oxidation of glucose and subsequent lactic acid production in leukocytes. Option C: It inhibits excitatory neurotransmission through actions on kainate and AMPA receptors. Option D: It exhibits inhibitory activity on the influx of extracellular calcium across both the myocardial and vascular smooth muscle cell membranes. " A 253602 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)O[C@@H]1[C@H](CN[C@@H]1CC2=CC=C(C=C2)OC)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity on PAR-1, a thrombin receptor expressed on platelets. Option B: It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system. Option C: It exhibits inhibitory activity against the production of interleukin 1-beta from induced inflammasomes. Option D: It exhibits inhibitory activity on ADP-mediated platelet activation and aggregation. " B 16681402 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C2=C(C=C1[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)C(=O)OC5=C(C=C(C(=C5O)OC)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)C(=O)O2)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity against HIV protease. Option B: It exhibits inhibitory activity against HIV-1 RNAse H. Option C: It exhibits inhibitory activity towards HIV-1 protease. Option D: It exhibits inhibitory activity against HIV-1 integrase. " B 65807 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C)CCO1)(C(=O)N2)O)O)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits ACE. Option B: It inhibits the Rho protein of E. coli. Option C: It inhibits GABA. Option D: It inhibits photosynthesis in susceptible species. " B 15817377 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=CCC[C@]\\1(C/C=C(\\C(=O)/C=C/[C@@]([C@@H](/C=C1)OC(=O)C=C(C)C)(C)O)/CO)C)C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity on muscarinic actions of acetylcholine at postganglionic parasympathetic neuroeffector sites. Option B: It has been found to inhibit root growth in rice seedlings (IC50 0.14 mM). Option C: It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Option D: Dysidine selectively inhibits human synovial phospholipase A2 (EC 3.1.1.4) with an IC50 = 2.0 muM. " B 70697741 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@]12CC[C@]3(CC(=O)C(C=C3[C@H]1CC[C@H]4[C@]2(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)(C)C)C(=O)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity on ADP-mediated platelet activation and aggregation. Option B: It exhibits inhibitory activity on PAR-1, a thrombin receptor expressed on platelets. Option C: It exhibits inhibitory activity against Tie2 kinase (EC 2.7.10.1) as well as modest activity against a variety of cultured mammalian cells. Option D: It exhibits inhibitory activity against the production of interleukin 1-beta from induced inflammasomes. " C 9883541 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC2=C(C(O1)OC)C(=O)C3=C(O2)C=C(C(=C3C(=O)O)O)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity against chymotrypsin. Option B: It exhibits inhibitory activity against tyrosinase. Option C: It exhibits inhibitory activity against metallo-beta-lactamases. Option D: It exhibits inhibitory activity against NF-kappaB. " C 5315393 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=C)C(CC1=CC(=CC2=C1OC(C=C2)(C)C)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory effect on platelet aggregation. Option B: It exhibits inhibitory activity against platelet aggregation. Option C: It exhibits inhibitory activity against DNA polymerase and platelet aggregation. Option D: It exhibits inhibitory activity against chymotrypsin. " B 21582644 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CCC[C@]([C@@H]1CC[C@@]3([C@@H]2CCC4=COC=C43)C)(C)C(=O)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity against NF-kappaB. Option B: It exhibits inhibitory activity against HIV-1 integrase. Option C: It exhibits inhibitory activity against androgen receptor. Option D: It exhibits inhibitory activity against chymotrypsin. " C 9799506 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1(C(CC2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC=C(C=C3)O)O)O)C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory effects on production of nitric oxide. Option B: It exhibits inhibitory activity against production of nitric oxide (NO). Option C: It has been shown to exhibit inhibitory activity against nitric oxide production. Option D: It exhibits inhibitory activity on nitric oxide production. " C 9909587 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCCCCCC1=COC2(C1=O)CC(C(O2)(CC(=O)O)C(=O)O)C(=O)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity against NF-kappaB. Option B: It exhibits inhibitory activity against tyrosinase. Option C: It exhibits inhibitory activity against chymotrypsin. Option D: It exhibits inhibitory activity against the enzyme heparanase. " D 25151504 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5 Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity on muscarinic actions of acetylcholine at postganglionic parasympathetic neuroeffector sites. Option B: It exhibits inhibitory activity on ADP-mediated platelet activation and aggregation. Option C: It inhibits excitatory neurotransmission through actions on kainate and AMPA receptors. Option D: It acts as a pharmacoenhancer in treatment of HIV-1 by inhibiting P450 enzymes that metabolise other medications. " D 9547976 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)C4=CC=C(C=C4)CO Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It is found to inhibit dimerization of HIV-1 protease subunits. Option B: It exhibits inhibitory activity against HIV protease. Option C: It exhibits inhibitory activity towards HIV-1 protease. Option D: It exhibits inhibitory activity against HIV-1 integrase. " A 18536633 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC(=CC(=C1)OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F)C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It is a potent inhibitor of p38alpha mitogen-activated protein kinase and BRD4. Option B: It is a potent inhibitor of the MDM2-p53 interaction. Option C: It exhibits competitive inhibitory activity on tyrosinase in melanocytes. Option D: It is a potent inhibitor of actin polymerisation and DNA synthesis. " A 10321583 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1[C@@H]2CCC=C([C@]2(CC[C@]1(C)CC3=C(C(=CC(=O)C3=O)NCCS(=O)(=O)O)O)C)C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Option B: Dysidine selectively inhibits human synovial phospholipase A2 (EC 3.1.1.4) with an IC50 = 2.0 muM. Option C: It inhibits excitatory neurotransmission through actions on kainate and AMPA receptors. Option D: It exhibits inhibitory activity on muscarinic actions of acetylcholine at postganglionic parasympathetic neuroeffector sites. " B 1285941 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)/C=C\\3/C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Option B: It exhibits inhibitory activity on muscarinic actions of acetylcholine at postganglionic parasympathetic neuroeffector sites. Option C: C646 is a potent, cell permeable and selective competitive inhibitor of p300 and CBP (p300/CBP) histone acetyltransferases. Option D: Dysidine selectively inhibits human synovial phospholipase A2 (EC 3.1.1.4) with an IC50 = 2.0 muM. " C 49803313 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5 Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Option B: It exhibits inhibitory activity on muscarinic actions of acetylcholine at postganglionic parasympathetic neuroeffector sites. Option C: Dysidine selectively inhibits human synovial phospholipase A2 (EC 3.1.1.4) with an IC50 = 2.0 muM. Option D: It inhibits excitatory neurotransmission through actions on kainate and AMPA receptors. " A 90488788 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=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)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(=O)O)NC(=O)C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits aberrant cell growth and proliferation by targeting IDH1. Option B: It inhibits the production of kynurenic acid in brain tissue slices. Option C: It strongly inhibits both calpains I and II. Option D: It inhibits urate crystal deposition, possibly by inhibiting oxidation of glucose and subsequent lactic acid production in leukocytes. " C 71657865 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(SC=C1)C(=O)NC(C)(C)C(=O)C2=C(C=C(C=C2)OC(C)C)C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits carbonic anhydrase in the ciliary processes of the eye. Option B: It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. Option C: It is an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. Option D: It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. " B 9552914 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)N/N=C/C3=CC4=NC=CN=C4C=C3)N Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme. Option B: It is a potent inhibitor of p38alpha mitogen-activated protein kinase and BRD4. Option C: It directly targets the Rho GEF binding domain, thereby preventing Rho from interacting with its GEFs. Option D: It exhibits competitive inhibitory activity on tyrosinase in melanocytes. " C 181498 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)[C@@H]1C2=C[C@@H]3[C@@H]4[C@@](C2=CC(=O)O1)(CCC[C@@]4(C(=O)O3)C)C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity against chymotrypsin. Option B: It exhibits inhibitory activity against activator protein 1 (AP-1). Option C: It exhibits inhibitory activity against NF-kappaB. Option D: It exhibits inhibitory activity against platelet aggregation. " B 11512578 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C)C[C@@H]1[C@]2([C@H]([C@@H](N1)C(=O)NCCN3CCOCC3)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It is a potent inhibitor of the MDM2-p53 interaction. Option B: It exhibits competitive inhibitory activity on tyrosinase in melanocytes. Option C: It is a potent inhibitor of p38alpha mitogen-activated protein kinase and BRD4. Option D: It is a potent inhibitor of actin polymerisation and DNA synthesis. " A 21330 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2 Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits carbonic anhydrase in the ciliary processes of the eye. Option B: It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. Option C: It is an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. Option D: It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. " C 11158353 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits carbonic anhydrase in the ciliary processes of the eye. Option B: It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. Option C: It is an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. Option D: It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. " C 21307 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(SCCO1)C(=O)NC2=CC=CC=C2 Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. Option B: It is an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. Option C: It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. Option D: It inhibits carbonic anhydrase in the ciliary processes of the eye. " B 11638999 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1CC[C@@H]2[C@](CCCC2(C)C)(C3=C1OC4=C(C(=C(C=C34)O)O)C=O)C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity against protein kinase C. Option B: It exhibits inhibitory activity on phosphoinositide 3-kinase enzymes (PI3Ks). Option C: It exhibits inhibitory activity against tyrosinase. Option D: It exhibits inhibitory activity against phosphatidylinositol-3-OH kinase. " D 44715324 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1C/C=C/C2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It is a potent inhibitor of the MDM2-p53 interaction. Option B: It exhibits competitive inhibitory activity on tyrosinase in melanocytes. Option C: It is a potent inhibitor of p38alpha mitogen-activated protein kinase and BRD4. Option D: It is a potent inhibitor of actin polymerisation and DNA synthesis. " D 16222096 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits mitogen-activated protein kinase kinase 1 (MAP2K1 or MEK1), and central components of the RAS/RAF/MEK/ERK signal transduction pathway. Option B: It exhibits inhibitory activity on ADP-mediated platelet activation and aggregation. Option C: It exhibits inhibitory activity on muscarinic actions of acetylcholine at postganglionic parasympathetic neuroeffector sites. Option D: It inhibits excitatory neurotransmission through actions on kainate and AMPA receptors. " A 71657455 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CN=C2)F)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits the production of kynurenic acid in brain tissue slices. Option B: It inhibits urate crystal deposition, possibly by inhibiting oxidation of glucose and subsequent lactic acid production in leukocytes. Option C: It inhibits excitatory neurotransmission through actions on kainate and AMPA receptors. Option D: It inhibits aberrant cell growth and proliferation by targeting IDH1. " D 3823 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits ergosterol synthesis and increases fungal cellular permeability. Option B: It exhibits inhibitory activity on muscarinic actions of acetylcholine at postganglionic parasympathetic neuroeffector sites. Option C: It inhibits excitatory neurotransmission through actions on kainate and AMPA receptors. Option D: It inhibits urate crystal deposition, possibly by inhibiting oxidation of glucose and subsequent lactic acid production in leukocytes. " A 2265 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-] Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits biosynthesis inhibitory activity. Option B: It exhibits nucleotide synthesis inhibitory activity. Option C: It exhibits cellular metabolism inhibitory activity. Option D: It exhibits enzyme inhibitory activity. " C 9568614 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits potent inhibitory activity towards mitochondrial NADH oxidase. Option B: It exhibits dimethylarginine dimethylaminohydrolase inhibitory activity. Option C: It exerts an inhibitory effect on lipid peroxidation. Option D: It inhibits the activity of dimethylarginine dimethylaminohydrolase (DDAH). " B 10280735 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits nucleotide synthesis inhibitory activity. Option B: It exhibits factor Xa inhibitory activity. Option C: It exhibits enzyme inhibitory activity. Option D: It exhibits biosynthesis inhibitory activity. " B 60823 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits competitive inhibitory activity on tyrosinase in melanocytes. Option B: It exhibits inhibitory activity against HMG-CoA reductase (EC 1.1.1.34/EC 1.1.1.88). Option C: It exhibits competitive inhibitory activity on HMG-CoA reductase. Option D: It exhibits HMG-Coenzyme A reductase inhibitory activity. " D 54676038 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits vitamin K reductase, resulting in depletion of the reduced form of vitamin K (vitamin KH2). Option B: It inhibits GABA. Option C: It inhibits vitamin K reductase. Option D: It inhibits aberrant cell growth and proliferation by targeting IDH1. " C 23652731 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits photosynthesis in susceptible species. Option B: It inhibits glucosylceramide synthase. Option C: It inhibits GABA. Option D: It inhibits acetolactate synthase. " B 1935 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)N Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits the hydrolysis of acetylcholine. Option B: Ethion is an organophosphate insecticide with inhibitory activity towards the enzyme acetylcholinesterase (EC 3.1.1.7). Option C: It exhibits inhibitory activity against acetylcholinesterase. Option D: It possesses significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7). " A 11625818 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5 Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity on phosphoinositide-3 kinase (PI3K) and mammalian target of rapamycin (mTOR). Option B: It targets P110δ, the delta isoform of the enzyme phosphatidylinositol-4,5-bisphosphate 3-kinase, also known as PI-3K. Option C: Dysidine selectively inhibits human synovial phospholipase A2 (EC 3.1.1.4) with an IC50 = 2.0 muM. Option D: It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). " B 68844 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits carbonic anhydrase in the ciliary processes of the eye. Option B: It exhibits dual 5α-reductase inhibitory activity. Option C: It exhibits enzyme inhibitory activity. Option D: It exhibits carbonic anhydrase inhibitory activity. " A 2187 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits the synthesis of DNA. Option B: It inhibits GABA. Option C: It inhibits the synthesis of DNA and RNA. Option D: It inhibits the enzyme aromatase. " D 16129704 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](CC6=CC=CC=C6)N Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It reversibly inhibits thrombin. Option B: It inhibits ACE. Option C: It inhibits GABA. Option D: It inhibits photosynthesis in susceptible species. " A 89683805 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It acts as a pharmacoenhancer in treatment of HIV-1 by inhibiting P450 enzymes that metabolise other medications. Option B: It inhibits excitatory neurotransmission through actions on kainate and AMPA receptors. Option C: It acts as an allosteric inhibitor of mutant IDH2 enzyme and blocks several other enzymes that play a role in abnormal cell differentiation. Option D: It exhibits inhibitory activity on ADP-mediated platelet activation and aggregation. " C 6918456 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4 Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity on muscarinic actions of acetylcholine at postganglionic parasympathetic neuroeffector sites. Option B: It exhibits inhibitory activity on ADP-mediated platelet activation and aggregation. Option C: It inhibits excitatory neurotransmission through actions on kainate and AMPA receptors. Option D: It exhibits inhibitory activity on PAR-1, a thrombin receptor expressed on platelets. " B 135403821 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1/C=C/C=C(\\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C6CCCC6)/C Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It inhibits DNA-dependent RNA polymerase activity. Option B: It exhibits inhibitory activity on RNA-dependent RNA polymerase (RdRp) enzyme complex. Option C: It exhibits inhibitory activity on DNA-dependent RNA polymerase. Option D: It exhibits RNA-dependent RNA polymerase inhibitory activity. " C 49867926 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity on muscarinic actions of acetylcholine at postganglionic parasympathetic neuroeffector sites. Option B: It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Option C: It exhibits inhibitory activity on phosphoinositide-3 kinase (PI3K) and mammalian target of rapamycin (mTOR). Option D: Dysidine selectively inhibits human synovial phospholipase A2 (EC 3.1.1.4) with an IC50 = 2.0 muM. " C 86398 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits inhibitory activity on transport-associated phosphorylation of glucose. Option B: It exhibits inhibitory activity against activator protein 1 (AP-1). Option C: It exhibits inhibitory activity against NF-kappaB. Option D: It exhibits inhibitory activity against chymotrypsin. " A 121304016 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4 Question about this molecule: Which kind of inhibitory activity does this molecule have/exhibit? Option A: It exhibits RNA-dependent RNA polymerase inhibitory activity. Option B: It exhibits inhibitory activity on RNA-dependent RNA polymerase (RdRp) enzyme complex. Option C: It exhibits inhibitory activity on DNA-dependent RNA polymerase. Option D: It inhibits DNA-dependent RNA polymerase activity. " B 10788 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CN(C(=S)SC1)C Question about this molecule: Which kind of irritant is this molecule? Option A: It is irritating to the skin and eyes. Option B: It is irritating to the eyes. Option C: It is extremely irritating, especially to the eyes. Option D: It is irritating to skin and eyes. " B 31275 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1COCCO1 Question about this molecule: Which kind of irritant is this molecule? Option A: It can irritate the skin and eyes in humans. Option B: It may irritate eyes and skin. Option C: It may irritate skin and eyes. Option D: It may irritate the skin. " D 86138 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N Question about this molecule: Which kind of irritant is this molecule? Option A: It is irritating to skin and eyes. Option B: It is mildly irritating to both the eyes and skin. Option C: It is not irritating to the skin or eyes. Option D: It is irritating to the skin and eyes. " C 5944 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)OC2=O)C)O3 Question about this molecule: Which kind of irritant is this molecule? Option A: It is a skin and eye irritant. Option B: It was formerly used as a counterirritant and vesicant. Option C: It is a severe eye irritant. Option D: It is used as a counterirritant. " B 9862076 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl Question about this molecule: Which kind of irritant is this molecule? Option A: It is a mild irritant to skin and eyes. Option B: It is reported to be a mild skin or eye irritant. Option C: It is a skin and eye irritant. Option D: It is a strong irritant to skin and eyes. " C 456557 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]([C@@H](C1=NC=C(C=C1)O)O)[C@@H](C(=O)N[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N Question about this molecule: What is the mechanism of this molecule's potency? Option A: It exerts a protecting effect on neuronal cells through suppressing L-glutamate toxicity. Option B: It prevents the production of endogenous prostaglandins involved in the mediation of pain, stiffness, tenderness and swelling. Option C: It disrupts DNA helical structure, induces DNA strand breaks and inhibits bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death. Option D: It inhibits fungal chitin biosynthesis by inhibiting chitin synthase. " D 25166913 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC[C@H](C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N Question about this molecule: What is the mechanism of this molecule's potency? Option A: It acts by binding to Smoothened (SMO) receptors and blocking signal transduction. Option B: It exerts its effect by depolymerising microtubules. Option C: It exerts a protecting effect on neuronal cells through suppressing L-glutamate toxicity. Option D: It prevents the production of endogenous prostaglandins involved in the mediation of pain, stiffness, tenderness and swelling. " A 589075 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC=CC=C3F Question about this molecule: What is the mechanism of this molecule's potency? Option A: It disrupts DNA helical structure, induces DNA strand breaks and inhibits bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death. Option B: It results in simultaneous NF-kappa beta suppression, Heat Shock Transcription Factor 1 (HSF1) suppression and p53 activation, and shows antitumour effects in animal models of various cancers. Option C: It works by binding to Arp2/3 complex, stabilising the inactive state of the complex and preventing its movement into the active conformation. Option D: It prevents the production of endogenous prostaglandins involved in the mediation of pain, stiffness, tenderness and swelling. " C 73890923 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)NC1=NC(=CS1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C Question about this molecule: What is the mechanism of this molecule's potency? Option A: It results in simultaneous NF-kappa beta suppression, Heat Shock Transcription Factor 1 (HSF1) suppression and p53 activation, and shows antitumour effects in animal models of various cancers. Option B: It disrupts DNA helical structure, induces DNA strand breaks and inhibits bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death. Option C: It prevents the production of endogenous prostaglandins involved in the mediation of pain, stiffness, tenderness and swelling. Option D: It can reduce the viability of melanoma cells by triggering an endoplasmic reticulum (ER) stress response. " D 477468 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)[C@@H](CC(=O)N)O)C)O)O)O Question about this molecule: What is the mechanism of this molecule's potency? Option A: It works by binding to Arp2/3 complex, stabilising the inactive state of the complex and preventing its movement into the active conformation. Option B: It prevents the production of endogenous prostaglandins involved in the mediation of pain, stiffness, tenderness and swelling. Option C: It inhibits the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall. Option D: It disrupts DNA helical structure, induces DNA strand breaks and inhibits bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death. " C 4440 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C Question about this molecule: What is the mechanism of this molecule? Option A: It is a serotonin 1b receptor agonist and serotonin 1d receptor agonist. Option B: It acts as a Serotonin 4 Receptor Agonist. Option C: It functions as a Serotonin 1b Receptor Agonist and Serotonin 1d Receptor Agonist. Option D: It acts as a Serotonin Uptake Inhibitor. " A 135415867 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O Question about this molecule: What is the mechanism of this molecule? Option A: It is an angiotensin 2 type 1 receptor antagonist. Option B: It acts as an angiotensin 2 receptor antagonist. Option C: It functions as an angiotensin 2 receptor antagonist. Option D: It acts as an endothelin receptor antagonist. " A 44591583 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)O Question about this molecule: What is the mechanism of this molecule? Option A: It is a Phosphodiesterase 5 Inhibitor. Option B: It inhibits Phosphodiesterase 3. Option C: It acts as a Phosphodiesterase 4 Inhibitor. Option D: It inhibits Phosphodiesterase 5. " C 16222096 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O Question about this molecule: What is the mechanism of this molecule? Option A: It is a kinase inhibitor. Option B: It is a kinase inhibitor and P-glycoprotein inhibitor. Option C: It has a protein kinase inhibitor mechanism of action. Option D: It has a renin inhibitor mechanism of action. " A 9869929 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO)Cl Question about this molecule: What is the mechanism of this molecule? Option A: It is a Phosphodiesterase 5 Inhibitor. Option B: It inhibits Phosphodiesterase 5. Option C: It acts as a Phosphodiesterase 4 Inhibitor. Option D: It inhibits Phosphodiesterase 3. " A 5281040 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O Question about this molecule: What is the mechanism of this molecule? Option A: It serves as a Histamine Receptor Antagonist. Option B: It is a Histamine Receptor Antagonist. Option C: It acts as a Smoothened Receptor Antagonist. Option D: It acts as a Leukotriene Receptor Antagonist. " D 71657455 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CN=C2)F)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N Question about this molecule: What is the mechanism of this molecule? Option A: It serves as an Isocitrate Dehydrogenase 1 Inhibitor, Cytochrome P450 3A4 Inducer, and Cytochrome P450 2C9 Inducer. Option B: It is a Protein Kinase Inhibitor, Cytochrome P450 3A4 Inhibitor, Cytochrome P450 2D6 Inhibitor, and Cytochrome P450 2C8 Inhibitor. Option C: It acts as a Cytochrome P450 2C19 Inhibitor, Cytochrome P450 3A4 Inhibitor, and Cytochrome P450 2C9 Inhibitor. Option D: It acts as a Tyrosine Kinase Inhibitor, Cytochrome P450 3A Inhibitor, and Cytochrome P450 2C9 Inhibitor. " A 71731823 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1C2=C(C=CC(=C2)F)C(=O)N(CC3=NN(C(=C3C4=CC(=C(N=C4)N)O1)C#N)C)C Question about this molecule: What is the mechanism of this molecule? Option A: It serves as a Farnesyltransferase Inhibitor, Cytochrome P450 2C8 Inhibitor, Cytochrome P450 3A Inhibitor, P-Glycoprotein Inhibitor, Cytochrome P450 2C19 Inhibitor, Organic Anion Transporting Polypeptide 1B1 Inhibitor, Organic Anion Transporting Polypeptide 1B3 Inhibitor, and Breast Cancer Resistance Protein Inhibitor. Option B: It acts as a Kinase Inhibitor, Cytochrome P450 3A Inducer, P-Glycoprotein Inducer, Cytochrome P450 2B6 Inducer, Organic Cation Transporter 1 Inhibitor, Organic Anion Transporter 3 Inhibitor, Multidrug and Toxin Extrusion Transporter 1 Inhibitor, and Breast Cancer Resistance Protein Inhibitor. Option C: It is a Cytochrome P450 3A Inhibitor, Receptor Tyrosine Kinase Inhibitor, Cytochrome P450 2B6 Inhibitor, P-Glycoprotein Inhibitor, Organic Cation Transporter 1 Inhibitor, and Organic Cation Transporter 2 Inhibitor. Option D: It acts as a Protein Kinase Inhibitor, Cytochrome P450 3A4 Inducer, Cytochrome P450 2B6 Inducer, Cytochrome P450 2C8 Inducer, Cytochrome P450 2C9 Inducer, Cytochrome P450 2C19 Inducer, Organic Anion Transporting Polypeptide 1B1 Inhibitor, Organic Anion Transporting Polypeptide 1B3 Inhibitor, Organic Anion Transporter 1 Inhibitor, Organic Anion Transporter 3 Inhibitor, and Breast Cancer Resistance Protein Inhibitor. " B 5546 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N Question about this molecule: What is the mechanism of this molecule? Option A: It has a high affinity for 5-HTA1 and 5-HTA2 receptors, displaying agonist activity on 5-HTA1 and antagonist on 5-HTA2, resulting in lowering of serotonin in the brain as well as an effect on increasing norepinephrine and dopamine neurotransmitters. Option B: It promotes the excretion of sodium ions and water while decreasing potassium excretion in the distal part of the nephron in the kidneys by working on the lumenal side. Option C: It activates 5-HT1D receptors on intracranial blood vessels, leading to vasoconstriction, and activates 5-HT1D receptors on sensory nerve endings of the trigeminal system, resulting in the inhibition of pro-inflammatory neuropeptide release. Option D: It inhibits serotonin reuptake, acts as a partial agonist of the 5-HT1B receptor, an agonist of 5-HT1A, and an antagonist of the 5-HT3, 5-HT1D, and 5-HT7 receptors. " B 3010818 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5 Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a histone deacetylase inhibitor, bile salt export pump inhibitor, organic anion transporting polypeptide 1B1 inhibitor, organic anion transporting polypeptide 1B3 inhibitor, organic anion transporter 1 inhibitor, and organic cation transporter 2 inhibitor. Option B: It acts as a cytochrome P450 3A inhibitor, P-glycoprotein inhibitor, cytochrome P450 2D6 inhibitor, organic anion transporting polypeptide 1B1 inhibitor, organic anion transporting polypeptide 1B3 inhibitor, breast cancer resistance protein inhibitor, and multidrug and toxin extrusion transporter 1 inhibitor. Option C: It serves as a hydroxyphenylpyruvate dioxygenase inhibitor, cytochrome P450 2C9 inhibitor, cytochrome P450 2E1 inducer, organic anion transporter 1 inhibitor, and organic anion transporter 3 inhibitor. Option D: It serves as an HCV NS3/4A protease inhibitor, cytochrome P450 3A inhibitor, P-glycoprotein inhibitor, organic anion transporting polypeptide 1B1 inhibitor, and organic anion transporting polypeptide 2B1 inhibitor. " D 443872 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC Question about this molecule: What is the mechanism of this molecule? Option A: It functions as an angiotensin 2 receptor antagonist. Option B: It functions as an aldosterone antagonist. Option C: It serves as an aldosterone antagonist. Option D: It acts as an angiotensin 2 receptor antagonist. " C 10182969 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N Question about this molecule: What is the mechanism of this molecule? Option A: It has a cyclooxygenase inhibitor mechanism of action. Option B: It has a protein kinase inhibitor mechanism of action. Option C: It serves as a cyclooxygenase inhibitor. Option D: It serves as a factor Xa inhibitor. " D 10220503 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC(=O)NC[C@@H]1C[C@H]1C2=C3CCOC3=CC=C2 Question about this molecule: What is the mechanism of this molecule? Option A: It serves as a somatostatin receptor agonist. Option B: It is a serotonin 1b receptor agonist and serotonin 1d receptor agonist. Option C: It acts as a GABA A agonist and GABA B agonist. Option D: It acts as a melatonin receptor agonist. " D 56959087 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC=C)O Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Competitive Opioid Antagonist and Partial Opioid Agonist. Option B: It acts as a Partial Opioid Agonist. Option C: It acts as an Opioid mu-Receptor Agonist. Option D: It acts as an Opioid Antagonist. " D 2381 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a cholinergic antagonist. Option B: It has a cholinergic antagonist mechanism of action. Option C: It serves as a cholinergic antagonist. Option D: It functions as a cholinergic muscarinic antagonist. " A 11556711 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C[C@@H](C(=O)[C@]1(CO1)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC3=CC=CC=C3)NC(=O)CN4CCOCC4 Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Proton Pump Inhibitor. Option B: It functions as a Proton Pump Inhibitor. Option C: It works as a Proteasome Inhibitor. Option D: It acts as a Proteasome Inhibitor. " D 5401 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC Question about this molecule: What is the mechanism of this molecule? Option A: It functions as an Adrenergic beta-Antagonist. Option B: It acts as an Adrenergic alpha1-Agonist. Option C: It acts as an Adrenergic alpha-Antagonist. Option D: It works as an Adrenergic alpha2-Agonist. " C 54677470 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Dipeptidase Inhibitor. Option B: It acts as a Lipase Inhibitor. Option C: It is a Cyclooxygenase Inhibitor. Option D: It works as a Cyclooxygenase Inhibitor. " C 54767916 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)[C@@H]3CC[C@H](N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC Question about this molecule: What is the mechanism of this molecule? Option A: It is an RNA Replicase Inhibitor, UGT1A1 Inhibitor, and Breast Cancer Resistance Protein Inhibitor. Option B: It is a P-Glycoprotein Inhibitor and Breast Cancer Resistance Protein Inhibitor. Option C: It acts as a mTOR Inhibitor and Protein Kinase Inhibitor. Option D: It is an UGT1A1 Inhibitor. " D 53235510 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl Question about this molecule: What is the mechanism of this molecule? Option A: It has a protein kinase inhibitor mechanism of action. Option B: It has an aromatase inhibitor mechanism of action. Option C: It is a pan-FGFR inhibitor. Option D: It has a renin inhibitor mechanism of action. " C 67505836 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a mTOR Inhibitor and Protein Kinase Inhibitor. Option B: It is a P-Glycoprotein Inhibitor and Breast Cancer Resistance Protein Inhibitor. Option C: It is a Norepinephrine Uptake Inhibitor and Serotonin Uptake Inhibitor. Option D: It is an RNA Replicase Inhibitor, UGT1A1 Inhibitor, and Breast Cancer Resistance Protein Inhibitor. " B 60198 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C Question about this molecule: What is the mechanism of this molecule? Option A: It functions as a Proton Pump Inhibitor. Option B: It acts as a Lipase Inhibitor. Option C: It acts as a Proton Pump Inhibitor. Option D: It is an Aromatase Inhibitor. " D 4369359 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N Question about this molecule: What is the mechanism of this molecule? Option A: It is a Dipeptidyl Peptidase 4 Inhibitor. Option B: It acts as a Lipase Inhibitor. Option C: It acts as a Dipeptidase Inhibitor. Option D: It acts as a Neuraminidase Inhibitor. " A 2789 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 Question about this molecule: What is the mechanism of this molecule? Option A: It inhibits Kinase, Cytochrome P450 3A, Cytochrome P450 3A4, Cytochrome P450 1A2, and Breast Cancer Resistance Protein. Option B: It inhibits Cytochrome P450 3A4, Cytochrome P450 2C19, and Cytochrome P450 2C9. Option C: It is a Cytochrome P450 2D6 Inhibitor and Cytochrome P450 3A4 Inducer. Option D: It inhibits Cytochrome P450 17A1, Cytochrome P450 2D6, and Cytochrome P450 2C8. " C 18283 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a nucleoside reverse transcriptase inhibitor. Option B: It is a nucleoside reverse transcriptase inhibitor and cytochrome P450 1A1 inhibitor. Option C: It inhibits nucleoside reverse transcriptase. Option D: It acts as a non-nucleoside reverse transcriptase inhibitor. " C 36462 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O Question about this molecule: What is the mechanism of this molecule? Option A: It inhibits DNA-dependent RNA polymerase. Option B: It inhibits DNA Polymerase. Option C: It functions as a DNA Polymerase Inhibitor. Option D: It inhibits topoisomerase. " D 4993 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl Question about this molecule: What is the mechanism of this molecule? Option A: It serves as a cyclooxygenase inhibitor. Option B: It inhibits dihydrofolate reductase. Option C: It has a cyclooxygenase inhibitor mechanism of action. Option D: It inhibits cyclooxygenase. " B 2265 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-] Question about this molecule: What is the mechanism of this molecule? Option A: It inhibits protein synthesis. Option B: It inhibits melanin synthesis. Option C: It inhibits nucleic acid synthesis. Option D: It inhibits protein kinase. " C 4235 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl Question about this molecule: What is the mechanism of this molecule? Option A: It inhibits protein synthesis. Option B: It inhibits protein kinase. Option C: It selectively and reversibly inhibits MAO-A. Option D: It inhibits AdoMet-mediated processes. " C 5394 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1C(=O)N2C=NC(=C2N=N1)C(=O)N Question about this molecule: What is the mechanism of this molecule? Option A: It has an alkylating activity. Option B: It has an alkylating activity mechanism of action. Option C: It has alkylating activity. Option D: It exhibits Methylating Activity. " C 2342 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCN(CC)C(=O)C1CN2CCC3=CC(=C(C=C3C2CC1OC(=O)C)OC)OC Question about this molecule: What is the mechanism of this molecule? Option A: It inhibits serotonin reuptake, acts as a partial agonist of the 5-HT1B receptor, an agonist of 5-HT1A, and an antagonist of the 5-HT3, 5-HT1D, and 5-HT7 receptors. Option B: It activates 5-HT1D receptors on intracranial blood vessels, leading to vasoconstriction, and activates 5-HT1D receptors on sensory nerve endings of the trigeminal system, resulting in the inhibition of pro-inflammatory neuropeptide release. Option C: It has a high affinity for 5-HTA1 and 5-HTA2 receptors, displaying agonist activity on 5-HTA1 and antagonist on 5-HTA2, resulting in lowering of serotonin in the brain as well as an effect on increasing norepinephrine and dopamine neurotransmitters. Option D: The mechanism is not known, but it presumably works via antagonism of muscarinic acetylcholine receptors and histamine H1 receptors. " D 64139 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F Question about this molecule: What is the mechanism of this molecule? Option A: It has a non-nucleoside reverse transcriptase inhibitor, cytochrome P450 3A inducer, cytochrome P450 2C9 inhibitor, cytochrome P450 2C19 inhibitor, and P-glycoprotein inhibitor mechanism of action. Option B: It is an androgen receptor antagonist, cytochrome P450 3A4 inducer, cytochrome P450 2C9 inducer, and cytochrome P450 2C19 inducer. Option C: It acts as a non-nucleoside reverse transcriptase inhibitor, cytochrome P450 3A inducer, cytochrome P450 2B6 inducer, cytochrome P450 2C9 inhibitor, cytochrome P450 2C19 inhibitor, and cytochrome P450 3A4 inhibitor. Option D: It inhibits Bcr-Abl tyrosine kinase, cytochrome P450 2C8, cytochrome P450 2D6, and UGT1A1, and it induces cytochrome P450 2B6 and cytochrome P450 2C8, and it inhibits P-glycoprotein. " C 4614 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3 Question about this molecule: What is the mechanism of this molecule? Option A: It has a 5-lipoxygenase inhibitor mechanism of action. Option B: It has a cyclooxygenase inhibitor mechanism of action. Option C: It serves as a cyclooxygenase inhibitor. Option D: It inhibits cyclooxygenase. " D 5833 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C Question about this molecule: What is the mechanism of this molecule? Option A: It functions as an aldosterone antagonist. Option B: It serves as an aldosterone antagonist. Option C: It functions as an angiotensin 2 receptor antagonist. Option D: It acts as an angiotensin 2 receptor antagonist. " A 34312 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a calcium channel antagonist. Option B: It has a sodium channel inhibition mechanism. Option C: It functions as a calcium channel antagonist and cytochrome P450 3A inhibitor. Option D: It functions as a calcium channel antagonist. " B 65999 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C Question about this molecule: What is the mechanism of this molecule? Option A: It acts as an endothelin receptor antagonist. Option B: It is an angiotensin 2 type 1 receptor antagonist. Option C: It functions as an angiotensin 2 receptor antagonist. Option D: It acts as an angiotensin 2 receptor antagonist. " C 10096344 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Lipase Inhibitor. Option B: It acts as a Dipeptidase Inhibitor. Option C: It is a Dipeptidyl Peptidase 4 Inhibitor. Option D: It acts as a Neuraminidase Inhibitor. " C 11949646 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Lipase Inhibitor. Option B: It acts as a Proton Pump Inhibitor. Option C: It is a Sodium-Glucose Transporter 2 Inhibitor. Option D: It functions as a Proton Pump Inhibitor. " C 108150 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O Question about this molecule: What is the mechanism of this molecule? Option A: It exhibits Methylating Activity. Option B: It has an alkylating activity mechanism of action. Option C: It has an alkylating activity. Option D: It has alkylating activity. " D 1201549 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 Question about this molecule: What is the mechanism of this molecule? Option A: It is a Cholinergic Antagonist and Cholinergic Muscarinic Antagonist. Option B: It is a Cholinergic Muscarinic Antagonist. Option C: It is a Cholinergic Antagonist and Histamine Receptor Antagonist. Option D: It works as a Cholinergic Muscarinic Agonist. " C 44472635 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C[C@@H](N[C@@H]1CC2=CC=C(C=C2)NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)[C@@H](C5=CC=CC=C5)O Question about this molecule: What is the mechanism of this molecule? Option A: It is an Adrenergic beta3-Agonist. Option B: It acts as an Adrenergic beta2-Agonist. Option C: It acts as an Adrenergic beta-Agonist. Option D: It works as an Adrenergic alpha2-Agonist. " A 71661251 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC Question about this molecule: What is the mechanism of this molecule? Option A: It is a breast cancer resistance protein inhibitor. Option B: It is a pan-FGFR inhibitor. Option C: It has a protein kinase inhibitor mechanism of action. Option D: It has a renin inhibitor mechanism of action. " A 441243 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O Question about this molecule: What is the mechanism of this molecule? Option A: It serves as a cytochrome P450 2D6 inhibitor. Option B: It is a HIV protease inhibitor and cytochrome P450 3A inhibitor. Option C: It is a proton pump inhibitor and cytochrome P450 2C19 inhibitor. Option D: It serves as a histone deacetylase inhibitor and cytochrome P450 2D6 inhibitor. " B 3827 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1 Question about this molecule: What is the mechanism of this molecule? Option A: It serves as a Histamine H1 Receptor Antagonist. Option B: It is a Histamine H1 Receptor Antagonist. Option C: It is a Histamine Receptor Antagonist. Option D: It serves as a Histamine Receptor Antagonist. " B 9568614 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC Question about this molecule: What is the mechanism of this molecule? Option A: It is a cytochrome P450 2C9 inhibitor. Option B: It acts as a P2Y12 receptor antagonist and a cytochrome P450 2C8 inhibitor. Option C: It is a proton pump inhibitor and cytochrome P450 2C19 inhibitor. Option D: It serves as a cytochrome P450 2D6 inhibitor. " C 24821094 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N Question about this molecule: What is the mechanism of this molecule? Option A: It works as a Proteasome Inhibitor. Option B: It acts as a Lipase Inhibitor. Option C: It works as a Protein Kinase Inhibitor. Option D: It is a Protein Kinase Inhibitor. " D 9651 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O Question about this molecule: What is the mechanism of this molecule? Option A: It functions as a cholinergic muscarinic antagonist. Option B: It acts as a cholinesterase inhibitor. Option C: It serves as a cholinergic antagonist. Option D: It acts as a cholinergic antagonist. " B 10280735 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C Question about this molecule: What is the mechanism of this molecule? Option A: It inhibits Factor Xa. Option B: It is a Protein Kinase Inhibitor. Option C: It works as a Protein Kinase Inhibitor. Option D: It acts as a Factor Xa Inhibitor. " D 60823 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Hydroxymethylglutaryl-CoA Reductase Inhibitor. Option B: It inhibits hydroxymethylglutaryl-CoA reductase. Option C: It is a 5-alpha Reductase Inhibitor. Option D: It serves as a 5-alpha Reductase Inhibitor. " A 25151504 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5 Question about this molecule: What is the mechanism of this molecule? Option A: It serves as a Farnesyltransferase Inhibitor, Cytochrome P450 2C8 Inhibitor, Cytochrome P450 3A Inhibitor, P-Glycoprotein Inhibitor, Cytochrome P450 2C19 Inhibitor, Organic Anion Transporting Polypeptide 1B1 Inhibitor, Organic Anion Transporting Polypeptide 1B3 Inhibitor, and Breast Cancer Resistance Protein Inhibitor. Option B: It acts as a Protein Kinase Inhibitor, Cytochrome P450 3A4 Inducer, Cytochrome P450 2B6 Inducer, Cytochrome P450 2C8 Inducer, Cytochrome P450 2C9 Inducer, Cytochrome P450 2C19 Inducer, Organic Anion Transporting Polypeptide 1B1 Inhibitor, Organic Anion Transporting Polypeptide 1B3 Inhibitor, Organic Anion Transporter 1 Inhibitor, Organic Anion Transporter 3 Inhibitor, and Breast Cancer Resistance Protein Inhibitor. Option C: It acts as a cytochrome P450 3A inhibitor, P-glycoprotein inhibitor, cytochrome P450 2D6 inhibitor, organic anion transporting polypeptide 1B1 inhibitor, organic anion transporting polypeptide 1B3 inhibitor, breast cancer resistance protein inhibitor, and multidrug and toxin extrusion transporter 1 inhibitor. Option D: It is a Cytochrome P450 3A Inhibitor, Receptor Tyrosine Kinase Inhibitor, Cytochrome P450 2B6 Inhibitor, P-Glycoprotein Inhibitor, Organic Cation Transporter 1 Inhibitor, and Organic Cation Transporter 2 Inhibitor. " C 41774 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO Question about this molecule: What is the mechanism of this molecule? Option A: It mimics epilepsy by blocking the inhibitory action of GABA receptors. Option B: It alters signal conduction in neurons by blocking fast voltage-gated sodium (Na+) channels in the neuronal cell membrane responsible for signal propagation. Option C: It is an alpha glucosidase inhibitor which decreases intestinal absorption of carbohydrates. Option D: It inhibits DNA synthesis, interferes with biochemical reactions of NAD and NADH, and inhibits some enzymes involved in gluconeogenesis. " C 60846 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O Question about this molecule: What is the mechanism of this molecule? Option A: It is an angiotensin 2 type 1 receptor antagonist. Option B: It functions as an angiotensin 2 receptor antagonist. Option C: It acts as an endothelin receptor antagonist. Option D: It acts as an angiotensin 2 receptor antagonist. " D 16362 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F Question about this molecule: What is the mechanism of this molecule? Option A: The exact mechanism of action is unknown, but it depresses the central nervous system. Option B: Its mechanism of action is unknown, but it interferes with action potential conduction. Option C: The precise mechanism of action is unknown, but it is postulated to block postsynaptic dopamine receptors. Option D: The exact mechanism of action is unknown, but it may be based on its ability to bind to and alter DNA. " C 3103 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3 Question about this molecule: What is the mechanism of this molecule? Option A: It competes with histamine for H1-receptor sites on effector cells. Option B: It is a Histamine H1 Receptor Antagonist. Option C: It serves as a Histamine Receptor Antagonist. Option D: It serves as a Histamine H1 Receptor Antagonist. " A 5352062 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C/C=C\\1/C(=O)N[C@H](C(=O)O[C@H]\\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(C)C Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a histone deacetylase inhibitor, bile salt export pump inhibitor, organic anion transporting polypeptide 1B1 inhibitor, organic anion transporting polypeptide 1B3 inhibitor, organic anion transporter 1 inhibitor, and organic cation transporter 2 inhibitor. Option B: It acts as a cytochrome P450 3A inhibitor, P-glycoprotein inhibitor, cytochrome P450 2D6 inhibitor, organic anion transporting polypeptide 1B1 inhibitor, organic anion transporting polypeptide 1B3 inhibitor, breast cancer resistance protein inhibitor, and multidrug and toxin extrusion transporter 1 inhibitor. Option C: It serves as a hydroxyphenylpyruvate dioxygenase inhibitor, cytochrome P450 2C9 inhibitor, cytochrome P450 2E1 inducer, organic anion transporter 1 inhibitor, and organic anion transporter 3 inhibitor. Option D: It serves as an HCV NS3/4A protease inhibitor, cytochrome P450 3A inhibitor, P-glycoprotein inhibitor, organic anion transporting polypeptide 1B1 inhibitor, and organic anion transporting polypeptide 2B1 inhibitor. " A 71616 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O Question about this molecule: What is the mechanism of this molecule? Option A: It is a Cytochrome P450 2D6 Inhibitor and Cytochrome P450 3A4 Inducer. Option B: It inhibits Kinase, Cytochrome P450 3A, Cytochrome P450 3A4, Cytochrome P450 1A2, and Breast Cancer Resistance Protein. Option C: It inhibits Cytochrome P450 17A1, Cytochrome P450 2D6, and Cytochrome P450 2C8. Option D: It inhibits Cytochrome P450 3A4, Cytochrome P450 2C19, and Cytochrome P450 2C9. " D 2372 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O Question about this molecule: What is the mechanism of this molecule? Option A: It has both agonist and antagonist effects on alpha-receptors and antagonist activity at beta-1 receptors. Option B: It inhibits DNA synthesis, interferes with biochemical reactions of NAD and NADH, and inhibits some enzymes involved in gluconeogenesis. Option C: It potentiates the action of GABA on GABA-A receptors. Option D: It mimics epilepsy by blocking the inhibitory action of GABA receptors. " A 644073 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Partial Opioid Agonist. Option B: It acts as an Opioid mu-Receptor Agonist. Option C: It is a Full Opioid Agonist. Option D: It acts as a Competitive Opioid Antagonist and Partial Opioid Agonist. " A 23652731 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Serotonin 2c Receptor Agonist and Cytochrome P450 2D6 Inhibitor. Option B: It inhibits Glucosylceramide Synthase, P-Glycoprotein, and Cytochrome P450 2D6. Option C: It inhibits Norepinephrine Uptake, Serotonin Uptake, and Cytochrome P450 2D6. Option D: It is a Serotonin Uptake Inhibitor and Cytochrome P450 2D6 Inhibitor. " B 132706 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC1=NN(C(=N1)CCCC)CC2=CN=C(C=C2)C3=CC=CC=C3C4=NNN=N4 Question about this molecule: What is the mechanism of this molecule? Option A: It decreases systemic vascular resistance by blocking the effects of angiotensin II. Option B: It works as an Angiotensin-converting Enzyme Inhibitor. Option C: It works as an Angiotensin 2 Receptor Antagonist. Option D: It is an Angiotensin-converting Enzyme Inhibitor. " A 10237 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3 Question about this molecule: What is the mechanism of this molecule? Option A: It inhibits urate crystal deposition, probably by inhibiting oxidation of glucose and subsequent lactic acid production in leukocytes. Option B: It potentiates the action of GABA on GABA-A receptors. Option C: It mimics epilepsy by blocking the inhibitory action of GABA receptors. Option D: It inhibits DNA synthesis, interferes with biochemical reactions of NAD and NADH, and inhibits some enzymes involved in gluconeogenesis. " C 4174 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2 Question about this molecule: What is the mechanism of this molecule? Option A: It acts as an Adrenal Steroid Synthesis Inhibitor. Option B: It functions as a Nucleic Acid Synthesis Inhibitor. Option C: It acts as a Nucleic Acid Synthesis Inhibitor. Option D: It works as an Adrenal Steroid Synthesis Inhibitor. " A 44603531 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=O)N1 Question about this molecule: What is the mechanism of this molecule? Option A: It is a Kinase Inhibitor, Cytochrome P450 2C9 Inhibitor, Breast Cancer Resistance Protein Inhibitor, UGT1A9 Inhibitor, and UGT1A1 Inhibitor. Option B: It is a HIV Protease Inhibitor, UGT1A1 Inhibitor, UDP Glucuronosyltransferases Inhibitor, Cytochrome P450 3A4 Inhibitor, Cytochrome P450 3A Inhibitor, and Cytochrome P450 2C8 Inhibitor. Option C: It acts as a HCV NS3/4A Protease Inhibitor, Breast Cancer Resistance Protein Inhibitor, and Cytochrome P450 3A Inhibitor. Option D: It serves as an AMPA Receptor Antagonist, UGT2B7 Inhibitor, UGT1A9 Inhibitor, Cytochrome P450 3A4 Inhibitor, and Cytochrome P450 2C8 Inhibitor. " C 5311304 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O Question about this molecule: What is the mechanism of this molecule? Option A: It acts as an Opioid mu-Receptor Agonist. Option B: It acts as a Competitive Opioid Antagonist and Partial Opioid Agonist. Option C: It is a Full Opioid Agonist. Option D: It acts as a Partial Opioid Agonist. " B 449193 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Phosphodiesterase 4 Inhibitor. Option B: It inhibits Phosphodiesterase 3. Option C: It inhibits Phosphodiesterase 5. Option D: It is a Phosphodiesterase 5 Inhibitor. " A 5735 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl Question about this molecule: What is the mechanism of this molecule? Option A: It is a cytochrome P450 3A4 inhibitor and P-glycoprotein interaction. Option B: It serves as a cytochrome P450 2D6 inhibitor. Option C: It is a cytochrome P450 2C9 inhibitor. Option D: It modulates benzodiazepine receptors. " D 3724 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I Question about this molecule: What is the mechanism of this molecule? Option A: It has a X-Ray Contrast Activity. Option B: It functions as a X-Ray Contrast Activity. Option C: It exhibits x-ray contrast activity. Option D: It is an X-Ray Contrast Activity. " C 10629256 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(C[C@@H]7C[C@H](CN(C7)CC8=C6NC9=CC=CC=C89)C(C)(F)F)C(=O)OC)OC)C Question about this molecule: What is the mechanism of this molecule? Option A: It inhibits melanin synthesis. Option B: It inhibits protein synthesis. Option C: It inhibits tubulin mitotic functioning. Option D: It inhibits microtubule polymerization. " D 1935 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)N Question about this molecule: What is the mechanism of this molecule? Option A: It functions as a Cholinesterase Reactivator. Option B: It functions as a Cholinesterase Inhibitor. Option C: It inhibits Cholinesterase. Option D: It exhibits Cholinesterase Inhibitor activity. " C 57363 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C Question about this molecule: What is the mechanism of this molecule? Option A: It is a 5-alpha Reductase Inhibitor. Option B: It works as a Proteasome Inhibitor. Option C: It acts as a Lipase Inhibitor. Option D: It serves as a 5-alpha Reductase Inhibitor. " D 5330286 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C Question about this molecule: What is the mechanism of this molecule? Option A: It is a Protein Kinase Inhibitor and Cytochrome P450 3A4 Inhibitor. Option B: It is a Serotonin Uptake Inhibitor and Cytochrome P450 2D6 Inhibitor. Option C: It works as a HIV Protease Inhibitor and Cytochrome P450 3A Inhibitor. Option D: It is a Kinase Inhibitor and Cytochrome P450 3A Inhibitor. " D 2585 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O Question about this molecule: What is the mechanism of this molecule? Option A: It acts as an adrenergic alpha-agonist and adrenergic beta-agonist. Option B: It is an adrenergic alpha-antagonist, adrenergic beta1-antagonist, and adrenergic beta2-antagonist. Option C: It serves as an adrenergic alpha-agonist. Option D: It serves as an adrenergic beta-antagonist. " B 159269 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O Question about this molecule: What is the mechanism of this molecule? Option A: It inhibits nucleoside reverse transcriptase. Option B: It acts as a non-nucleoside reverse transcriptase inhibitor. Option C: It is a nucleoside reverse transcriptase inhibitor and cytochrome P450 1A1 inhibitor. Option D: It acts as a nucleoside reverse transcriptase inhibitor. " A 10275777 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Factor Xa Inhibitor. Option B: It is a Protein Kinase Inhibitor. Option C: It inhibits Factor Xa. Option D: It works as a Protein Kinase Inhibitor. " C 443958 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC6(O2)CCCC6 Question about this molecule: What is the mechanism of this molecule? Option A: It agonizes corticosteroid hormone receptors. Option B: It serves as a prostaglandin receptor agonist. Option C: It acts as a corticosteroid hormone receptor agonist. Option D: It serves as a corticosteroid hormone receptor agonist. " C 5487 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl Question about this molecule: What is the mechanism of this molecule? Option A: It acts as an Adrenergic beta2-Agonist. Option B: It is an Adrenergic alpha2-Agonist. Option C: It works as an Adrenergic alpha2-Agonist. Option D: It acts as an Adrenergic alpha1-Agonist. " C 2541 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O Question about this molecule: What is the mechanism of this molecule? Option A: It is an Angiotensin-converting Enzyme Inhibitor. Option B: It works as an Angiotensin-converting Enzyme Inhibitor. Option C: It acts as an angiotensin 2 receptor antagonist. Option D: It works as an Angiotensin 2 Receptor Antagonist. " D 5078 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3 Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Serotonin 4 Receptor Agonist. Option B: It functions as a Serotonin 1b Receptor Agonist and Serotonin 1d Receptor Agonist. Option C: It is a serotonin 1b receptor agonist and serotonin 1d receptor agonist. Option D: It acts as a Serotonin Uptake Inhibitor. " C 24965990 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl Question about this molecule: What is the mechanism of this molecule? Option A: It is an Orexin Receptor Antagonist, P-Glycoprotein Inhibitor, and Cytochrome P450 3A Inhibitor. Option B: It is a P2Y12 Receptor Antagonist, Cytochrome P450 3A4 Inhibitor, and P-Glycoprotein Inhibitor. Option C: It acts as a Protein Kinase Inhibitor, Cytochrome P450 1A2 Inhibitor, and P-Glycoprotein Inhibitor. Option D: It is a Calcineurin Inhibitor, Cytochrome P450 3A4 Inhibitor, and P-Glycoprotein Inhibitor. " A 11625818 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5 Question about this molecule: What is the mechanism of this molecule? Option A: It works as a HIV Protease Inhibitor and Cytochrome P450 3A Inhibitor. Option B: It is a Kinase Inhibitor and Cytochrome P450 3A Inhibitor. Option C: It is a Protein Kinase Inhibitor and Cytochrome P450 3A4 Inhibitor. Option D: It is a Serotonin Uptake Inhibitor and Cytochrome P450 2D6 Inhibitor. " B 5717 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC Question about this molecule: What is the mechanism of this molecule? Option A: It is a Serotonin Uptake Inhibitor and Cytochrome P450 2D6 Inhibitor. Option B: It acts as a Vasopressin Receptor Antagonist and Cytochrome P450 3A Inhibitor. Option C: It is a Leukotriene Receptor Antagonist and Cytochrome P450 2C9 Inhibitor. Option D: It acts as a Serotonin 2c Receptor Agonist and Cytochrome P450 2D6 Inhibitor. " C 5281037 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\\CC3=CC=CS3)/C(=O)O Question about this molecule: What is the mechanism of this molecule? Option A: It acts as an endothelin receptor antagonist. Option B: It acts as an angiotensin 2 receptor antagonist. Option C: It is an angiotensin 2 type 1 receptor antagonist. Option D: It functions as an angiotensin 2 receptor antagonist. " B 3902 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3 Question about this molecule: What is the mechanism of this molecule? Option A: It is an Aromatase Inhibitor. Option B: It functions as a Proton Pump Inhibitor. Option C: It acts as a Proton Pump Inhibitor. Option D: It acts as a Lipase Inhibitor. " A 208908 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl Question about this molecule: What is the mechanism of this molecule? Option A: It works as a Protein Kinase Inhibitor. Option B: It works as a Proteasome Inhibitor. Option C: It is a Protein Kinase Inhibitor. Option D: It acts as a Lipase Inhibitor. " C 53465279 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)O Question about this molecule: What is the mechanism of this molecule? Option A: It works as a HIV Protease Inhibitor and Cytochrome P450 3A Inhibitor. Option B: It is an Urate Transporter 1 Inhibitor and Cytochrome P450 3A Inducer. Option C: It is a Protein Kinase Inhibitor and Cytochrome P450 3A4 Inhibitor. Option D: It is a Kinase Inhibitor and Cytochrome P450 3A Inhibitor. " B 92727 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Cytochrome P450 3A Inhibitor, P-Glycoprotein Inhibitor, Cytochrome P450 2D6 Inhibitor, and Organic Cation Transporter 2 Inhibitor. Option B: It works as a HIV Protease Inhibitor, Cytochrome P450 3A4 Inhibitor, Cytochrome P450 3A4 Inducer, and P-Glycoprotein Inducer. Option C: It is a HIV Protease Inhibitor, P-Glycoprotein Inhibitor, Cytochrome P450 3A Inhibitor, and Organic Anion Transporting Polypeptide 1B1 Inhibitor. Option D: It acts as a Cytochrome P450 3A4 Inhibitor, Organic Cation Transporter 2 Inhibitor, and P-Glycoprotein Inhibitor. " C 68844 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC Question about this molecule: What is the mechanism of this molecule? Option A: It is a Carbonic Anhydrase Inhibitor. Option B: It acts as a Dipeptidase Inhibitor. Option C: It serves as a Carbonic Anhydrase Inhibitor. Option D: It acts as a Carbonic Anhydrase Inhibitor and P-Glycoprotein Inhibitor. " A 148192 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC Question about this molecule: What is the mechanism of this molecule? Option A: It is a HIV Protease Inhibitor, UGT1A1 Inhibitor, UDP Glucuronosyltransferases Inhibitor, Cytochrome P450 3A4 Inhibitor, Cytochrome P450 3A Inhibitor, and Cytochrome P450 2C8 Inhibitor. Option B: It serves as an AMPA Receptor Antagonist, UGT2B7 Inhibitor, UGT1A9 Inhibitor, Cytochrome P450 3A4 Inhibitor, and Cytochrome P450 2C8 Inhibitor. Option C: It is a Cytochrome P450 3A Inhibitor, P-Glycoprotein Inhibitor, Cytochrome P450 1A2 Inhibitor, Cytochrome P450 2C9 Inhibitor, and Cytochrome P450 2D6 Inhibitor. Option D: It works as a Cytochrome P450 2C19 Inhibitor, Cytochrome P450 2C9 Inhibitor, Cytochrome P450 3A4 Inducer, and Cytochrome P450 2D6 Inducer. " A 2910 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl Question about this molecule: What is the mechanism of this molecule? Option A: It stimulates calcium ion influx through voltage-sensitive calcium channels, raising intracellular concentrations of calcium ions, which induces the secretion, or exocytosis, of insulin. Option B: It alters signal conduction in neurons by blocking fast voltage-gated sodium (Na+) channels in the neuronal cell membrane responsible for signal propagation. Option C: The mechanism is less well understood, but it may involve its action on carbonic anhydrases in the smooth muscle or its action on the large-conductance calcium-activated potassium (KCa) channel. Option D: It inhibits urate crystal deposition, probably by inhibiting oxidation of glucose and subsequent lactic acid production in leukocytes. " C 2187 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N Question about this molecule: What is the mechanism of this molecule? Option A: It has an aromatase inhibitor mechanism of action. Option B: It has a renin inhibitor mechanism of action. Option C: It has a protein kinase inhibitor mechanism of action. Option D: It has a cyclooxygenase inhibitor mechanism of action. " A 9829523 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC Question about this molecule: What is the mechanism of this molecule? Option A: It has a receptor tyrosine kinase inhibitor mechanism of action. Option B: It has an aromatase inhibitor mechanism of action. Option C: It has a protein kinase inhibitor mechanism of action. Option D: It has a renin inhibitor mechanism of action. " A 2435 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br Question about this molecule: What is the mechanism of this molecule? Option A: It has an adrenergic alpha-agonist mechanism of action. Option B: It is an adrenergic alpha-agonist. Option C: It acts as an adrenergic alpha-agonist and adrenergic beta-agonist. Option D: It serves as an adrenergic alpha-agonist. " A 6445540 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C Question about this molecule: What is the mechanism of this molecule? Option A: It inhibits essential PBPs, resulting in impaired cell wall homeostasis, loss of cell integrity, and bacterial cell death. Option B: It alters signal conduction in neurons by blocking fast voltage-gated sodium (Na+) channels in the neuronal cell membrane responsible for signal propagation. Option C: It inhibits cyclin-dependent kinases, arresting cell division and causing apoptosis in non-small lung cancer cells. Option D: It acts to stabilize microtubules thereby preventing mitosis and causing growth arrest in cancer cells. " D 4919 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O Question about this molecule: What is the mechanism of this molecule? Option A: It serves as a cholinergic antagonist. Option B: It acts as a cholinergic antagonist. Option C: It functions as a cholinergic muscarinic antagonist. Option D: It has a cholinergic antagonist mechanism of action. " B 89683805 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O Question about this molecule: What is the mechanism of this molecule? Option A: It inhibits Dihydroorotate Dehydrogenase. Option B: It inhibits cyclooxygenase. Option C: It inhibits Isocitrate Dehydrogenase 2. Option D: It inhibits dihydrofolate reductase. " C 3878 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Cytochrome P450 3A4 Inhibitor, Organic Cation Transporter 2 Inhibitor, and P-Glycoprotein Inhibitor. Option B: It serves as an Organic Cation Transporter 2 Inhibitor and Dihydrofolate Reductase Inhibitor. Option C: It acts as a Dihydrofolate Reductase Inhibitor, Cytochrome P450 2C8 Inhibitor, and Organic Cation Transporter 2 Inhibitor. Option D: It serves as a HIV Integrase Inhibitor, Multidrug and Toxin Extrusion Transporter 1 Inhibitor, and Organic Cation Transporter 2 Inhibitor. " B 3034010 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Proton Pump Inhibitor. Option B: It works as a Proteasome Inhibitor. Option C: It acts as a Lipase Inhibitor. Option D: It functions as a Proton Pump Inhibitor. " C 60857 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3 Question about this molecule: What is the mechanism of this molecule? Option A: It functions as a Serotonin 1b Receptor Agonist and Serotonin 1d Receptor Agonist. Option B: It acts as a Competitive Opioid Antagonist and Partial Opioid Agonist. Option C: It acts as an Opioid mu-Receptor Agonist. Option D: It acts as a Serotonin 4 Receptor Agonist. " A 42611257 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F Question about this molecule: What is the mechanism of this molecule? Option A: It is a P2Y12 Receptor Antagonist, Cytochrome P450 3A4 Inhibitor, and P-Glycoprotein Inhibitor. Option B: It acts as a Protein Kinase Inhibitor, Cytochrome P450 1A2 Inhibitor, and P-Glycoprotein Inhibitor. Option C: It is an Orexin Receptor Antagonist, P-Glycoprotein Inhibitor, and Cytochrome P450 3A Inhibitor. Option D: It is a Calcineurin Inhibitor, Cytochrome P450 3A4 Inhibitor, and P-Glycoprotein Inhibitor. " B 54682461 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4 Question about this molecule: What is the mechanism of this molecule? Option A: It acts as a Proton Pump Inhibitor. Option B: It functions as a HIV Protease Inhibitor. Option C: It inhibits HIV Protease. Option D: It functions as a Proton Pump Inhibitor. " C 3241 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N Question about this molecule: What is the mechanism of this molecule? Option A: It serves as a Histamine H1 Receptor Antagonist. Option B: It serves as a Histamine Receptor Antagonist. Option C: It acts as an Adrenergic Agonist and Histamine H1 Receptor Antagonist. Option D: It is a Histamine H1 Receptor Antagonist. " C 6918456 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4 Question about this molecule: What is the mechanism of this molecule? Option A: It acts as an Adrenergic Agonist and Histamine H1 Receptor Antagonist. Option B: It serves as a Histamine H1 Receptor Antagonist. Option C: It acts as a P2Y12 Receptor Antagonist. Option D: It antagonizes P2Y12 Receptor. " D 5210 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C Question about this molecule: What is the mechanism of this molecule? Option A: It is a Norepinephrine Uptake Inhibitor and Serotonin Uptake Inhibitor. Option B: It acts as a Serotonin Uptake Inhibitor. Option C: It inhibits Dopamine Uptake, Norepinephrine Uptake, and Serotonin Uptake. Option D: It serves as a Serotonin Uptake Inhibitor. " C 3157 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC Question about this molecule: What is the mechanism of this molecule? Option A: It functions as an Adrenergic beta-Antagonist. Option B: It acts as an Adrenergic alpha1-Agonist. Option C: It acts as an Adrenergic alpha-Antagonist. Option D: It works as an Adrenergic alpha2-Agonist. " C 4893 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC Question about this molecule: What is the mechanism of this molecule? Option A: It functions as an Adrenergic beta-Antagonist. Option B: It acts as an Adrenergic alpha1-Agonist. Option C: It works as an Adrenergic alpha2-Agonist. Option D: It acts as an Adrenergic alpha-Antagonist. " D 24812758 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F Question about this molecule: What is the mechanism of this molecule? Option A: It inhibits Glucosylceramide Synthase, P-Glycoprotein, and Cytochrome P450 2D6. Option B: It inhibits Microsomal Triglyceride Transfer Protein, Cytochrome P450 3A4, and P-Glycoprotein. Option C: It inhibits P-glycoprotein. Option D: It inhibits sodium-glucose transporter 2 and P-glycoprotein. " D 25166913 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC[C@H](C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N Question about this molecule: What is the mechanism of this molecule? Option A: It antagonizes androgen receptors. Option B: It antagonizes smoothened receptors. Option C: It antagonizes Adrenergic alpha receptors. Option D: It antagonizes Protease-activated Receptor-1. " B 644241 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 Question about this molecule: What is the mechanism of this molecule? Option A: It has a non-nucleoside reverse transcriptase inhibitor, cytochrome P450 3A inducer, cytochrome P450 2C9 inhibitor, cytochrome P450 2C19 inhibitor, and P-glycoprotein inhibitor mechanism of action. Option B: It acts as a non-nucleoside reverse transcriptase inhibitor, cytochrome P450 3A inducer, cytochrome P450 2B6 inducer, cytochrome P450 2C9 inhibitor, cytochrome P450 2C19 inhibitor, and cytochrome P450 3A4 inhibitor. Option C: It inhibits Bcr-Abl tyrosine kinase, cytochrome P450 2C8, cytochrome P450 2D6, and UGT1A1, and it induces cytochrome P450 2B6 and cytochrome P450 2C8, and it inhibits P-glycoprotein. Option D: It is an androgen receptor antagonist, cytochrome P450 3A4 inducer, cytochrome P450 2C9 inducer, and cytochrome P450 2C19 inducer. " C 11965427 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CS(=O)(=O)C1=CC=CC(=C1)C[C@@H](C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=CC5=C(C=C4)C=CO5)Cl Question about this molecule: What is the mechanism of this molecule? Option A: It is a serotonin 3 receptor antagonist. Option B: It is a serotonin 1b receptor agonist and serotonin 1d receptor agonist. Option C: It acts as a lymphocyte function-associated antigen-1 antagonist. Option D: It works as a serotonin uptake inhibitor. " C 5152 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O Question about this molecule: What is the mechanism of this molecule? Option A: It acts as an Adrenergic beta-Agonist. Option B: It acts as an Adrenergic beta2-Agonist. Option C: It works as an Adrenergic alpha2-Agonist. Option D: It is an Adrenergic beta3-Agonist. " B 4440 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C Question about this molecule: What is the right information about this molecule's medical effects? Option A: It has three distinct pharmacological actions implicated in the antimigraine effect of the triptans. Option B: This occurrence led to the development of novel second-generation ALK inhibitors such as this molecule to overcome crizotinib resistance. Option C: It works by blocking the transporter reuptake proteins for key neurotransmitters affecting mood, thereby leaving more active neurotransmitter in the synapse. Option D: It inhibits beta-tubulin synthesis, inhibiting development of germ tubes and the growth of mycelia. " A 5546 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N Question about this molecule: What is the right information about this molecule's medical effects? Option A: It inhibits sodium influx through voltage gated sodium channels in the neuronal cell membrane of peripheral nerves. Option B: It promotes the excretion of sodium ions and water while decreasing the potassium excretion in the distal part of the nephron in the kidneys. Option C: It alters signal conduction in neurons by blocking the fast voltage gated sodium (Na+) channels in the neuronal cell membrane that are responsible for signal propagation. Option D: It binds to sodium channels and reversibly stabilizes the neuronal membrane which decreases its permeability to sodium ions. " B 5401 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC Question about this molecule: What is the right information about this molecule's medical effects? Option A: It blocks neuromuscular transmission. Option B: It acts by inhibiting nuclear division. Option C: It acts to lower blood pressure. Option D: It works to reduce blood pressure and blood fluid volume. " C 16129706 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)CNC(=O)[C@H](C)N)C(=O)O)CO)[C@@H](C)O)CC6=CC=CC=C6)O Question about this molecule: What is the right information about this molecule's medical effects? Option A: During acute use, SSRIs block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. Option B: It acts through signalling pathways of G protein-coupled somatostatin receptors. Option C: It blocks serotonin reuptake and increases serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. Option D: It blocks the D2 somatodendritic autoreceptor, resulting in the blockade of postsynaptic dopamine receptors in the mesolimbic system and an increased dopamine turnover. " B 10071196 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C Question about this molecule: What is the right information about this molecule's medical effects? Option A: It treats hallucinations and delusions without causing extrapyramidal symptoms by acting on serotonin receptors. Option B: During acute use, SSRIs block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. Option C: It blocks serotonin reuptake and increases serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. Option D: It blocks the D2 somatodendritic autoreceptor, resulting in the blockade of postsynaptic dopamine receptors in the mesolimbic system and an increased dopamine turnover. " A 65999 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C Question about this molecule: What is the right information about this molecule's medical effects? Option A: Binding potentiates the action of GABA on GABA-A receptors by opening the chloride channel within the receptor, causing chloride influx and hyperpolarization. Option B: It binds to angiotensin II type 1 (AT1) receptors, inhibiting the action of angiotensin II on vascular smooth muscle and reducing arterial blood pressure. Option C: During acute use, SSRIs block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. Option D: It has three distinct pharmacological actions: (1) stimulation of presynaptic 5-HT1D receptors, (2) direct inhibition of trigeminal nuclei cell excitability via 5-HT1B/1D receptor agonism in the brainstem, and (3) vasoconstriction of meningeal, dural, cerebral or pial vessels as a result of vascular 5-HT1B receptor agonism. " B 4101 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1N2CN3CN1CN(C2)C3 Question about this molecule: What is the right information about this molecule's medical effects? Option A: It inhibits functioning of postsynaptic dopamine receptors. Option B: It releases formaldehyde under acidic conditions. Option C: It produces inhibitory postsynaptic potentials. Option D: It inhibits gastric acid secretion. " B 3440 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl Question about this molecule: What is the right information about this molecule's medical effects? Option A: It is a potent loop diuretic that acts on the kidneys to ultimately increase water loss from the body. Option B: It mainly acts on the cells of the distal part of the nephron and the collecting tubules in the kidney. Option C: It relaxes the muscles in the prostate and bladder neck, used in the symptomatic treatment of BPH. Option D: It blocks the neurotransmitter dopamine and the vagus nerve in the gastrointestinal tract. " A 6422843 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC Question about this molecule: What is the right information about this molecule's medical effects? Option A: It inhibits DNA synthesis and interacts with SH groups. Option B: It blocks neuromuscular transmission. Option C: It acts by inhibiting nuclear division. Option D: It acts by inhibition of mitochondrial respiration. " D 132706 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC1=NN(C(=N1)CCCC)CC2=CN=C(C=C2)C3=CC=CC=C3C4=NNN=N4 Question about this molecule: What is the right information about this molecule's medical effects? Option A: It blocks the D2 somatodendritic autoreceptor, resulting in the blockade of postsynaptic dopamine receptors in the mesolimbic system and an increased dopamine turnover. Option B: It competes with angiotensin II for binding at the AT1 receptor subtype. Option C: It blocks serotonin reuptake and increases serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. Option D: During acute use, SSRIs block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. " B 5735 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl Question about this molecule: What is the right information about this molecule's medical effects? Option A: It exerts its action by binding on the benzodiazepine receptor complex and modulation of the GABABZ receptor chloride channel macromolecular complex. Option B: Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell. Option C: It induces bronchoconstriction through muscarinic receptors in the lungs. Option D: Binding potentiates the action of GABA on GABA-A receptors by opening the chloride channel within the receptor, causing chloride influx and hyperpolarization. " A 441140 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC Question about this molecule: What is the right information about this molecule's medical effects? Option A: It inhibits glucose reabsorption in the proximal tubule of the nephron and causes glycosuria. Option B: It induces bronchoconstriction through muscarinic receptors in the lungs. Option C: It inhibits beta-tubulin synthesis, inhibiting development of germ tubes and the growth of mycelia. Option D: It binds to keratin in human cells, then once it reaches the fungal site of action, it binds to fungal microtubes thus altering the fungal process of mitosis. " D 3559 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F Question about this molecule: What is the right information about this molecule's medical effects? Option A: Dopamine-antagonizing medications such as this molecule are though to improve psychotic symptoms and states that are caused by an over-production of dopamine, such as schizophrenia, which is theorized to be caused by a hyperdopaminergic state within the limbic system of the brain. Option B: It is a triazole fungicide, also known as a DMI, or demethylation inhibiting fungicide due to its binding with and inhibiting the 14-alpha demethylase enzyme from demethylating a precursor to ergosterol. Option C: It has three distinct pharmacological actions: (1) stimulation of presynaptic 5-HT1D receptors, (2) direct inhibition of trigeminal nuclei cell excitability via 5-HT1B/1D receptor agonism in the brainstem, and (3) vasoconstriction of meningeal, dural, cerebral or pial vessels as a result of vascular 5-HT1B receptor agonism. Option D: Binding potentiates the action of GABA on GABA-A receptors by opening the chloride channel within the receptor, causing chloride influx and hyperpolarization. " A 57363 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C Question about this molecule: What is the right information about this molecule's medical effects? Option A: Dopamine-antagonizing medications such as this molecule are though to improve psychotic symptoms and states that are caused by an over-production of dopamine, such as schizophrenia, which is theorized to be caused by a hyperdopaminergic state within the limbic system of the brain. Option B: It aims to target the underlying disease by blocking the effects of the primary androgen involved in benign prostate hyperplasia and androgenic alopecia, thus reducing the risk for secondary complications while providing symptom control. Option C: It is a triazole fungicide, also known as a DMI, or demethylation inhibiting fungicide due to its binding with and inhibiting the 14-alpha demethylase enzyme from demethylating a precursor to ergosterol. Option D: It has three distinct pharmacological actions: (1) stimulation of presynaptic 5-HT1D receptors, (2) direct inhibition of trigeminal nuclei cell excitability via 5-HT1B/1D receptor agonism in the brainstem, and (3) vasoconstriction of meningeal, dural, cerebral or pial vessels as a result of vascular 5-HT1B receptor agonism. " B 441130 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O Question about this molecule: What is the right information about this molecule's medical effects? Option A: Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane. Option B: It interferes with the synthesis of vital cell wall components, which leads to cell death. Option C: It binds to surface membranes and proteins, causing proton leaks and cell death. Option D: It exerts a non-genomic action by targeting important signaling molecules in vascular endothelial cells (ECs). " B 10275777 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl Question about this molecule: What is the right information about this molecule's medical effects? Option A: Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane. Option B: Its action is driven by the competitive and reversible inhibition of the factor Xa. Option C: It exerts a non-genomic action by targeting important signaling molecules in vascular endothelial cells (ECs). Option D: It binds to surface membranes and proteins, causing proton leaks and cell death. " B 5577 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC Question about this molecule: What is the right information about this molecule's medical effects? Option A: Patients are advised to immediately contact their healthcare provider if a rash develops. Option B: Its actions are unclear but most likely involves the chemoreceptor trigger zone (CTZ). Option C: It selectively targets mutant proteins in malignant cells, acting similarly to erlotinib. Option D: It is used in cereal seed dressing and fungicidal non-mercurial seed dressing with special action against fusarium. " B 5078 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3 Question about this molecule: What is the right information about this molecule's medical effects? Option A: It binds to angiotensin II type 1 (AT1) receptors, inhibiting the action of angiotensin II on vascular smooth muscle and reducing arterial blood pressure. Option B: It is a triazole fungicide, also known as a DMI, or demethylation inhibiting fungicide due to its binding with and inhibiting the 14-alpha demethylase enzyme from demethylating a precursor to ergosterol. Option C: Binding potentiates the action of GABA on GABA-A receptors by opening the chloride channel within the receptor, causing chloride influx and hyperpolarization. Option D: It has three distinct pharmacological actions: (1) stimulation of presynaptic 5-HT1D receptors, (2) direct inhibition of trigeminal nuclei cell excitability via 5-HT1B/1D receptor agonism in the brainstem, and (3) vasoconstriction of meningeal, dural, cerebral or pial vessels as a result of vascular 5-HT1B receptor agonism. " D 5281037 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\\CC3=CC=CS3)/C(=O)O Question about this molecule: What is the right information about this molecule's medical effects? Option A: Binding potentiates the action of GABA on GABA-A receptors by opening the chloride channel within the receptor, causing chloride influx and hyperpolarization. Option B: It exerts its action by binding on the benzodiazepine receptor complex and modulation of the GABABZ receptor chloride channel macromolecular complex. Option C: This occurrence led to the development of novel second-generation ALK inhibitors such as this molecule to overcome crizotinib resistance. Option D: By inhibiting norepinephrine production, blood pressure is further reduced. " D 3902 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3 Question about this molecule: What is the right information about this molecule's medical effects? Option A: This occurrence led to the development of novel second-generation ALK inhibitors such as this molecule to overcome crizotinib resistance. Option B: It exerts its action by binding on the benzodiazepine receptor complex and modulation of the GABABZ receptor chloride channel macromolecular complex. Option C: This molecule exerts its actions against myasthenia gravis by competitive, reversible inhibition of acetylcholinesterase. Option D: It blocks production of estrogens by competitive, reversible binding to the heme of its cytochrome P450 unit. " D 50367 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 Question about this molecule: What is the right information about this molecule's medical effects? Option A: It is a thiadiazine insect growth regulator acting as moulting inhibitor for the persistent larvicidal action against some Coleoptera, Hemiptera and Acarina. Option B: It exerts its action by binding on the benzodiazepine receptor complex and modulation of the GABABZ receptor chloride channel macromolecular complex. Option C: Binding potentiates the action of GABA on GABA-A receptors by opening the chloride channel within the receptor, causing chloride influx and hyperpolarization. Option D: This occurrence led to the development of novel second-generation ALK inhibitors such as this molecule to overcome crizotinib resistance. " A 5362449 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC Question about this molecule: What is the right information about this molecule's medical effects? Option A: During acute use, SSRIs block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. Option B: It blocks serotonin reuptake and increases serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. Option C: It blocks the D2 somatodendritic autoreceptor, resulting in the blockade of postsynaptic dopamine receptors in the mesolimbic system and an increased dopamine turnover. Option D: It is an NMDA receptor antagonist (receptors, N-methyl-D-aspartate) and acts as a non-competitive channel blocker. " D 2435 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br Question about this molecule: What is the right information about this molecule's medical effects? Option A: Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane. Option B: It acts via decreasing aqueous humor synthesis. Option C: It interferes with the synthesis of vital cell wall components, which leads to cell death. Option D: It binds to surface membranes and proteins, causing proton leaks and cell death. " B 4919 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O Question about this molecule: What is the right information about this molecule's medical effects? Option A: It binds to angiotensin II type 1 (AT1) receptors, inhibiting the action of angiotensin II on vascular smooth muscle and reducing arterial blood pressure. Option B: It induces bronchoconstriction through muscarinic receptors in the lungs. Option C: Binding potentiates the action of GABA on GABA-A receptors by opening the chloride channel within the receptor, causing chloride influx and hyperpolarization. Option D: It is thought that this molecule acts by blocking central cholinergic receptors, and thus balancing cholinergic and dopaminergic activity in the basal ganglia. " D 86398 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N Question about this molecule: What is the right information about this molecule's medical effects? Option A: Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane. Option B: It has a broad spectrum of action, being systemic with protective and curative action. Option C: It is a common active ingredient in toothpaste, exerting an anti-sensitivity action. Option D: It has a non-systemic action with long residual activity. " D 14677 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42 Question about this molecule: What is the right information about this molecule's medical effects? Option A: It can reduce symptoms through its actions on histamine receptors. Option B: It blocks dopamine uptake in central adrenergic neurons by blocking dopamine transport or carrier proteins. Option C: It inhibits functioning of postsynaptic dopamine receptors. Option D: It blocks the action of endogenous histamine, leading to temporary relief of the negative symptoms brought on by histamine. " D 11965427 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CS(=O)(=O)C1=CC=CC(=C1)C[C@@H](C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=CC5=C(C=C4)C=CO5)Cl Question about this molecule: What is the right information about this molecule's medical effects? Option A: It blocks the action of androgens of adrenal and testicular origin that stimulate the growth of normal and malignant prostatic tissue. Option B: It protects the corneal surface and alleviates the symptoms of dry eye syndrome. Option C: It relaxes the smooth muscle of the bladder in the treatment of urinary frequency and incontinence. Option D: It relaxes the muscles in the prostate and bladder neck, used in the symptomatic treatment of BPH. " B 67519 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=NNN=N1 Question about this molecule: What is the right information about this molecule's melting point? Option A: Melting point 211-212 °C Option B: Melting point 55-157 °C Option C: Melting point 175.8-186.8 °C Option D: Melting point 173-175 °C " B 17596 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] Question about this molecule: What is the right information about this molecule's melting point? Option A: It is an acronym for High Melting eXplosive Option B: It has a melting point of 740-1785 °C. Option C: Melting point 68 °F (20 °C) Option D: It has a melting point of 195-196 °C. " A 34312 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N Question about this molecule: What is the right information about this molecule's metabolism? Option A: It is metabolized into dopamine, resulting in an increase in the levels of circulating dopamine in the blood and to various extracerebral tissues. Option B: It has a reduced propensity for involvement in drug-drug interactions owing to its primarily reductive metabolism. Option C: In HIV-1-infected patients and in patients with Lyme neuroborreliosis, a marked rise of KYNA metabolism was seen. Option D: This molecule is a prodrug that is metabolized to an active form, which blocks the ADP receptor involved in GPIIb/IIIa receptor activation leading to platelet aggregation. " B 3559 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F Question about this molecule: What is the right information about this molecule's metabolism? Option A: The metabolism of this molecule may be modulated by genetically determined polymorphic CYP2D6 activity. Option B: This molecule is a prodrug that is metabolized to an active form, which blocks the ADP receptor involved in GPIIb/IIIa receptor activation leading to platelet aggregation. Option C: It is metabolized into dopamine, resulting in an increase in the levels of circulating dopamine in the blood and to various extracerebral tissues. Option D: In HIV-1-infected patients and in patients with Lyme neuroborreliosis, a marked rise of KYNA metabolism was seen. " A 5362449 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC Question about this molecule: What is the right information about this molecule's metabolism? Option A: The drug undergoes O-demethylation (which produces dextrorphan), N-demethylation, and partial conjugation with glucuronic acid and sulfate ions. Option B: In HIV-1-infected patients and in patients with Lyme neuroborreliosis, a marked rise of KYNA metabolism was seen. Option C: This molecule is a prodrug that is metabolized to an active form, which blocks the ADP receptor involved in GPIIb/IIIa receptor activation leading to platelet aggregation. Option D: This molecule can be metabolized to dopamine on either side of the blood-brain barrier and is generally administered with a dopa decarboxylase inhibitor like carbidopa to prevent metabolism until after it has crossed the blood-brain barrier. " A 7276 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C(O1)C2=CC=CC=C2 Question about this molecule: What is the odor of this molecule? Option A: It has a mild pleasant odor. Option B: It has a faint pleasant odor. Option C: It has a sweet pleasant odor. Option D: It has a pleasant odor. " C 10788 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CN(C(=S)SC1)C Question about this molecule: What is the odor of this molecule? Option A: It has a pungent, acrid odor. Option B: It has a pungent odor. Option C: It has a pungent, irritating odor. Option D: It has a distinct, pungent odor. " A 31275 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1COCCO1 Question about this molecule: What is the odor of this molecule? Option A: It has a faint ethereal odor. Option B: It has a mild ethereal odor. Option C: It has a mild distinctive odor. Option D: It has an ethereal odor. " A 5430 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 Question about this molecule: What is the odor of this molecule? Option A: It is odorless. Option B: It is usually odorless. Option C: It is practically odorless. Option D: It is essentially odorless. " A 8490 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] Question about this molecule: What is the odor of this molecule? Option A: It has a characteristic aromatic odor. Option B: It has a mild distinctive odor. Option C: It has a characteristic odor. Option D: The odor is unknown. " D 660 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC(=O)OC2=CC=CC=C21 Question about this molecule: What is the odor of this molecule? Option A: It has a sweet odor. Option B: It has a pleasant odor. Option C: It has a sweet pleasant odor. Option D: It has a faint pleasant odor. " A 697993 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C2C(=C1)NC(=S)S2 Question about this molecule: What is the odor of this molecule? Option A: It has a disagreeable odor. Option B: It has an agreeable odor. Option C: It has a slightly disagreeable odor. Option D: It has a distinctive, disagreeable odor. " A 5917 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC2=NN=NN2CC1 Question about this molecule: What is the odor of this molecule? Option A: It has a slightly disagreeable odor. Option B: It has a distinctive, disagreeable odor. Option C: It has a disagreeable odor. Option D: It has a slightly pungent odor. " D 10868 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC(CC1)N=C=NC2CCCCC2 Question about this molecule: What is the odor of this molecule? Option A: It has a mild sweet odor. Option B: It has a mild odor. Option C: It has a heavy sweet odor. Option D: It has a sweet odor. " C 73111 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O Question about this molecule: What is the odor of this molecule? Option A: It has a slight aromatic odor. Option B: It has a slight odor. Option C: It has a slight sulfurous odor. Option D: It has a slight unpleasant odor. " B 1989 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2 Question about this molecule: What is the odor of this molecule? Option A: Strong irritating odor Option B: No odor. Option C: Almost no odor Option D: Strong odor. " C 441140 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC Question about this molecule: What is the odor of this molecule? Option A: It is odorless to a faint onion-like odor. Option B: It is odorless or almost odorless. Option C: It is odorless or nearly odorless. Option D: It has a very faint aromatic or phenolic odor. " B 5503 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2 Question about this molecule: What is the odor of this molecule? Option A: Odorless or with a slight odor. Option B: Odorless or with a faint odor. Option C: Odorless or faintly aromatic odor Option D: Odorless or faint aromatic odor. " A 3293 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C Question about this molecule: What is the odor of this molecule? Option A: It has a geranium-like odor. Option B: It has a mercaptan-like odor. Option C: It has a sweet chloroform-like odor. Option D: It has a strong mothball-like odor. " B 5143 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C2C(=C1)C(=O)NS2(=O)=O Question about this molecule: What is the odor of this molecule? Option A: Odorless or with a slight odor. Option B: Odorless or faintly aromatic odor Option C: Odorless or with a faint odor. Option D: Odorless or faint aromatic odor. " B 31347 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCS(=O)(=O)C1 Question about this molecule: What is the odor of this molecule? Option A: It has a weak oily odor. Option B: It has a sweet fruity odor. Option C: It has a strong fruity odor. Option D: It has a mild fruity odor. " A 2179 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42 Question about this molecule: How is the pharmacological activity of this molecule Option A: It has major activity against mycobacteria, commonly used in combination with other agents as therapy of tuberculosis. Option B: It is investigated for its use in treating cardiovascular disease and its activity against Severe Acute Respiratory Syndrome (SARS). Option C: It is effective in the treatment of acute leukemias and malignant lymphomas, but has poor activity in the treatment of solid tumors. Option D: It carries some activity against protozoans, and has been used off-label in the treatment of toxoplasmosis, malaria, and babesiosis. " C 644073 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O Question about this molecule: How is the pharmacological activity of this molecule Option A: It activates the vanilloid receptor in a subpopulation of primary afferent sensory neurons involved in nociception. Option B: It acts as a partial mu-opioid receptor agonist with a high affinity for the receptor, but lower intrinsic activity compared to other full mu-opioid agonists. Option C: It exerts activity against more resistant gram-negative bacilli such as Acinetobacter baumanii and Pseudomonas aeruginosa. Option D: It carries some activity against protozoans, and has been used off-label in the treatment of toxoplasmosis, malaria, and babesiosis. " B 135413542 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CNC[C@@H]1N2CC/C(=C\\C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\\O)/C5=NSC(=N5)N)SC3)C(=O)O)/C2=O Question about this molecule: How is the pharmacological activity of this molecule Option A: It has activity against methicillin-resistant Staphylococcus aureus. Option B: It carries some activity against protozoans, and has been used off-label in the treatment of toxoplasmosis, malaria, and babesiosis. Option C: It has activity against the Coronaviridae family, leading to considerable interest in it as a possible treatment for COVID-19. Option D: It has major activity against mycobacteria, commonly used in combination with other agents as therapy of tuberculosis. " A 9829523 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC Question about this molecule: How is the pharmacological activity of this molecule Option A: It has activity toward diverse solid and hematopoietic tumors. Option B: It has major activity against mycobacteria, commonly used in combination with other agents as therapy of tuberculosis. Option C: It carries some activity against protozoans, and has been used off-label in the treatment of toxoplasmosis, malaria, and babesiosis. Option D: It has activity against the Coronaviridae family, leading to considerable interest in it as a possible treatment for COVID-19. " A 42611257 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F Question about this molecule: How is the pharmacological activity of this molecule Option A: It is a potent and selective oral mitogen-activated protein kinase 1/2 (MEK 1/2) inhibitor. Option B: It has major activity against mycobacteria, commonly used in combination with other agents as therapy of tuberculosis. Option C: It is a cephalotaxine ester and protein synthesis inhibitor with established clinical activity as a single agent in hematological malignancies. Option D: It is a competitive kinase inhibitor with activity against BRAF kinase with mutations like V600E. " D 121304016 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4 Question about this molecule: How is the pharmacological activity of this molecule Option A: It is investigated for its use in treating cardiovascular disease and its activity against Severe Acute Respiratory Syndrome (SARS). Option B: It has major activity against mycobacteria, commonly used in combination with other agents as therapy of tuberculosis. Option C: It carries some activity against protozoans, and has been used off-label in the treatment of toxoplasmosis, malaria, and babesiosis. Option D: It has activity against the Coronaviridae family, leading to considerable interest in it as a possible treatment for COVID-19. " D 7276 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C(O1)C2=CC=CC=C2 Question about this molecule: What is the physical state of this molecule? Option A: It appears as a colorless liquid. Option B: It is a clear liquid. Option C: It is a liquid. Option D: It appears as a liquid. " C 31275 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1COCCO1 Question about this molecule: What is the physical state of this molecule? Option A: It appears as a clear colorless liquid. Option B: It is a clear colorless liquid. Option C: It is a dense colorless liquid. Option D: It appears as a colorless liquid. " A 5430 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 Question about this molecule: What is the physical state of this molecule? Option A: It is a solid. Option B: It appears as a colorless crystalline solid. Option C: It is a crystalline solid. Option D: It is a colorless crystalline solid. " A 660 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC(=O)OC2=CC=CC=C21 Question about this molecule: What is the physical state of this molecule? Option A: It is a liquid. Option B: It is a clear liquid. Option C: It appears as a colorless liquid. Option D: It appears as a liquid. " A 21202 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O Question about this molecule: What is the physical state of this molecule? Option A: It is a clear, colorless to light-yellow liquid. Option B: It is a colorless, clear, oily liquid. Option C: It is a clear, colorless, slightly syrupy liquid at room temperature. Option D: It appears as a colorless to pale-yellow oily liquid. " A 5311507 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN(CCN1CC/C=C\\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO Question about this molecule: What is the physical state of this molecule? Option A: It is a clear liquid. Option B: It is a liquid. Option C: It appears as a liquid. Option D: It appears as a colorless liquid. " B 67519 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=NNN=N1 Question about this molecule: What is the physical state of this molecule? Option A: It is an odorless white to slightly yellow crystalline powder. Option B: It is an odorless white to light-yellow crystalline powder. Option C: It is an odorless white to off-white microcrystalline powder. Option D: It is an odorless white to off-white crystalline powder. " B 697993 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C2C(=C1)NC(=S)S2 Question about this molecule: What is the physical state of this molecule? Option A: It is a colorless to pale yellow crystalline solid. Option B: It is a pale yellow to tan crystalline powder. Option C: It is a pale yellow crystalline compound. Option D: It occurs as a colorless to pale yellow solid. " B 5917 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC2=NN=NN2CC1 Question about this molecule: What is the physical state of this molecule? Option A: It appears as colorless crystals or white powder or chunky white solid. Option B: It appears as a white crystalline powder or granular solid. Option C: It appears as a colorless to light tan crystalline powder or solid. Option D: It is a white crystalline powder or solid. " B 10868 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC(CC1)N=C=NC2CCCCC2 Question about this molecule: What is the physical state of this molecule? Option A: It is a white crystalline powder. Option B: It is a white crystalline powder or solid. Option C: It is a fine white crystalline solid. Option D: It is a white crystalline solid. " D 5090 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 Question about this molecule: What is the physical state of this molecule? Option A: It is a solid. Option B: It appears as a colorless crystalline solid. Option C: It is a colorless crystalline solid. Option D: It is a crystalline solid. " A 3589 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl Question about this molecule: What is the physical state of this molecule? Option A: It is a solid. Option B: It is a crystalline solid. Option C: It appears as a colorless crystalline solid. Option D: It is a colorless crystalline solid. " A 942 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCCC1C2=CN=CC=C2 Question about this molecule: What is the physical state of this molecule? Option A: It is a colorless to light yellow liquid. Option B: It appears as a colorless to light yellow liquid. Option C: It appears as a colorless to light yellow or brown liquid. Option D: It is a clear colorless to light yellow liquid. " C 3440 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl Question about this molecule: What is the physical state of this molecule? Option A: It is an odorless white to off-white microcrystalline powder. Option B: It is an odorless white to slightly yellow crystalline powder. Option C: It is an odorless white to light-yellow crystalline powder. Option D: It is an odorless white to off-white crystalline powder. " B 441140 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC Question about this molecule: What is the physical state of this molecule? Option A: It is a white to cream-colored chalky powder. Option B: It is an odorless white to off-white microcrystalline powder. Option C: It appears as white to pale cream-colored crystalline powder. Option D: It is an odorless white to light-yellow crystalline powder. " C 5993 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl Question about this molecule: What is the physical state of this molecule? Option A: It is a dense colorless liquid. Option B: It is a clear colorless liquid. Option C: It appears as a colorless liquid. Option D: It appears as a clear colorless liquid. " D 8478 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-] Question about this molecule: What is the physical state of this molecule? Option A: It is a colorless crystalline solid. Option B: It is a solid. Option C: It is a crystalline solid. Option D: It appears as a colorless crystalline solid. " B 5280954 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)/C=C/C6=CC(=C(C(=C6)OC)OC)OC Question about this molecule: What is the physical state of this molecule? Option A: It is an odorless white to slightly yellow crystalline powder. Option B: It is an odorless white to cream colored crystalline powder. Option C: It is an odorless white to light-yellow crystalline powder. Option D: It is an odorless white to off-white crystalline powder. " B 2328 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O Question about this molecule: What is the physical state of this molecule? Option A: It appears slightly brown in color. Option B: It is a colorless or slightly yellow oily liquid. Option C: It appears as colorless or slightly yellow watery liquid. Option D: It is a colorless to slightly yellow viscous liquid. " A 3293 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C Question about this molecule: What is the physical state of this molecule? Option A: It is a clear light yellow to dark brown viscous liquid. Option B: It appears as a colorless to light yellow liquid. Option C: It appears as a colorless to light yellow or brown liquid. Option D: It is a colorless to light yellow liquid. " A 23674889 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+] Question about this molecule: What is the physical state of this molecule? Option A: It is a colorless, flammable liquid with a chloroform-like odor. Option B: Aqueous solutions are alkaline to litmus and phenolphthalein (pH approximately 9.3). Option C: It is a colorless, nonirritating, odorless, and tasteless gas. Option D: Aqueous solutions are yellow to brick-red and slightly acidic; they may be stabilized by the addition of 10% glucose. " B 2181 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCNC(C1)C2=CN=CC=C2 Question about this molecule: What is the physical state of this molecule? Option A: It is a liquid. Option B: It is a clear liquid. Option C: It appears as a liquid. Option D: It appears as a colorless liquid. " A 31347 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCS(=O)(=O)C1 Question about this molecule: What is the physical state of this molecule? Option A: It appears as a colorless oily liquid. Option B: It appears as a colorless, oily liquid. Option C: It appears as a colorless, fuming oily liquid. Option D: It is a colorless oily liquid. " D 37175 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl Question about this molecule: What is the physical state of this molecule? Option A: It appears as a colorless crystalline solid. Option B: It is a solidified oil. Option C: It is a solid. Option D: It is a crystalline solid. " B 135463437 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1[C@@H]2[C@@H](C([C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)(O)O)OP(=O)(O1)O Question about this molecule: What is the right information about this molecule's physiological effect? Option A: It results in a deficiency of three molybdenum-dependent enzymes. Option B: It may cause neurological dysfunction and lameness. Option C: It can lead to anemia in animals and erythrocytosis in humans. Option D: It may cause deficiency in older men. " A 46926973 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4 Question about this molecule: Which kind of potency does this molecule have/exhibit? Option A: It is the more potent enantiomer of racemic sarin, a nerve agent. Option B: It is a highly potent, selective and orally bioavailable Porcupine inhibitor. Option C: It is about 3 times more potent than the mixture of atracurium isomers as a neuromuscular blocking agent. Option D: It is a highly potent opiate analgesic psychoactive drug. " B 62886 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-] Question about this molecule: Which kind of potency does this molecule have/exhibit? Option A: It is an acetylcholinesterase (AChE) inhibitor (IC50 0.40 nM, >1,000 times more potent than tacrine). Option B: It is a cell-permeable, potent and selective agonist of the TRPV4 (transient receptor potential vanilloid 4) channel. Option C: It is about 3 times more potent than the mixture of atracurium isomers as a neuromuscular blocking agent. Option D: It is the more potent enantiomer of racemic sarin, a nerve agent. " C 2690 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=COC(=C1)C2=NN3C(=N2)C4=C(C=CC(=C4)Cl)N=C3N Question about this molecule: Which kind of potency does this molecule have/exhibit? Option A: It is a potent antagonist at adenosine A1 and adenosine A2A receptors. Option B: It is an acetylcholinesterase (AChE) inhibitor (IC50 0.40 nM, >1,000 times more potent than tacrine). Option C: It is a potent and selective antagonist for the 5-hydroxytryptamine 2B (5-HT2B) receptor. Option D: It is a cell-permeable, potent and selective agonist of the TRPV4 (transient receptor potential vanilloid 4) channel. " A 78357808 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C(=CC=C1)C)NC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC=NC(=C3)NC4=CC=C(C=C4)N5CCN(CC5)C Question about this molecule: Which kind of potency does this molecule have/exhibit? Option A: It is a cell-permeable, potent and selective agonist of the TRPV4 (transient receptor potential vanilloid 4) channel. Option B: It is 2 fold more potent against cyclin dependent kinase 5 (CDK5) and >150 times more potent against CDK1. Option C: It is a potent inhibitor of salt-inducible kinase 2, a potential target protein for therapy in ovarian cancer. Option D: It is an acetylcholinesterase (AChE) inhibitor (IC50 0.40 nM, >1,000 times more potent than tacrine). " C 3277600 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=NSC(=C1)NC(=O)NC2=CC3=C(C=C2)N(C=C3)C Question about this molecule: Which kind of potency does this molecule have/exhibit? Option A: It is a cell-permeable, potent and selective agonist of the TRPV4 (transient receptor potential vanilloid 4) channel. Option B: It is an acetylcholinesterase (AChE) inhibitor (IC50 0.40 nM, >1,000 times more potent than tacrine). Option C: It is 2 fold more potent against cyclin dependent kinase 5 (CDK5) and >150 times more potent against CDK1. Option D: It is a potent and selective antagonist for the 5-hydroxytryptamine 2B (5-HT2B) receptor. " D 67505836 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC Question about this molecule: What is the potency of this molecule? Option A: It displays enhanced antidiuretic potency compared to endogenous ADH. Option B: It mimics the actions of endogenous progesterone with a greater potency. Option C: It is a very potent option for the treatment of Hepatitis C. Option D: It is the most potent DAC inhibiting agent available on the market. " C 1201549 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 Question about this molecule: What is the potency of this molecule? Option A: It is the most potent DAC inhibiting agent available on the market. Option B: It mimics the actions of endogenous progesterone with a greater potency. Option C: It displays enhanced antidiuretic potency compared to endogenous ADH. Option D: It produces an increased potency for dopamine uptake inhibition. " D 25074470 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8 Question about this molecule: What is the potency of this molecule? Option A: It is approximately 10 times more potent than navitoclax with regard to induction of apoptosis in CLL cells. Option B: It is three times more potent than desflurane, but has lower potency compared to halothane and isoflurane. Option C: It has a significantly higher barrier to resistance than the first generation NS5A inhibitors, making it a highly potent and reliable alternative for treatment of chronic Hepatitis C. Option D: It possesses greater potency than endogenous LHRH and reversibly represses gonadotropin secretion. " D 222757 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5 Question about this molecule: What is the potency of this molecule? Option A: It is the most potent form of all mammalian estrogenic steroids and acts as the major female sex hormone. Option B: It has a significantly higher barrier to resistance than the first generation NS5A inhibitors, making it a highly potent and reliable alternative for treatment of chronic Hepatitis C. Option C: It is approximately 10 times more potent than navitoclax with regard to induction of apoptosis in CLL cells. Option D: It possesses greater potency than endogenous LHRH and reversibly represses gonadotropin secretion. " A 5394 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1C(=O)N2C=NC(=C2N=N1)C(=O)N Question about this molecule: Which kind of reaction can this molecule cause? Option A: It can cause the formation of a highly reactive methyl diazonium cation capable of methylating various residues on adenosine and guanine bases leading to DNA lesions and eventual apoptosis. Option B: It can block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. Option C: It can cause chronic inhalation exposure resulting in significant decreases in lung function in workers, an asthma-like reaction characterized by wheezing, dyspnea, and bronchial constriction. Option D: It can cause decarboxylation of phenylpyruvate to give phenylacetate and reduction reaction to give phenyllactate. " A 443872 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC Question about this molecule: Which kind of reactivity does this molecule have/exhibit? Option A: It reacts with strong acids to form salts containing the anilinium (or phenylammonium) ion (C6H5-NH3+) and reacts with acyl halides to form amides. Option B: It blocks serotonin reuptake and increases serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors during acute use. Option C: It can block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors during acute use. Option D: It produces sustained increases in plasma renin and serum aldosterone, consistent with inhibition of the negative regulatory feedback of aldosterone on renin secretion. " D 5281037 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\\CC3=CC=CS3)/C(=O)O Question about this molecule: Which kind of reactivity does this molecule have/exhibit? Option A: It can block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors during acute use. Option B: Blocks serotonin reuptake and increases serotonin stimulation Option C: It blocks serotonin reuptake and increases serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors during acute use. Option D: It inhibits norepinephrine production to further reduce blood pressure. " D 5311304 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O Question about this molecule: Which kind of receptor activity does this molecule have/exhibit? Option A: It works as a partial agonist at central dopamine D2, dopamine D3, and serotonin 5-HT1A receptors and as an antagonist at serotonin 5-HT2A receptors. Option B: It has partial agonist activity at the D2 receptor, partial agonist activity at the 5-HT1A receptor, and antagonist profile at the 5-HT2A receptor. Option C: It acts as a weak agonist at mu, kappa, and delta opioid receptors within the central nervous system (CNS). Option D: It appears to be an agonist at kappa opioid receptors and an antagonist or partial agonist at mu opioid receptors. " D 2435 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br Question about this molecule: Which kind of receptor activity does this molecule have/exhibit? Option A: It acts as a weak TrkB receptor agonist. Option B: It is a non-selective α- and β-adrenergic receptor agonist. Option C: It is an alpha adrenergic receptor agonist (primarily alpha-2). Option D: It is an alpha- and beta-adrenergic receptor agonist. " C 25137855 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN(CCN1CC/C=C/2\\C3C=C(C=CC3SC4=CC=CC=C42)C(F)(F)F)CCO Question about this molecule: Which kind of receptor antagonist is this molecule? Option A: It is a neurokinin 1 receptor antagonist. Option B: It is an NMDA receptor antagonist. Option C: It acts as an OP1 receptor agonist. Option D: It is a D1 and D2 receptor antagonist. " D 28693 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5 Question about this molecule: Which kind of receptor antagonist is this molecule? Option A: It is an antagonist at various 5-HT receptor subtypes. Option B: It acts at serotonin receptors. Option C: It is an oral dopamine receptor agonist. Option D: It acts on dopamine receptors. " A 5917 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC2=NN=NN2CC1 Question about this molecule: Which kind of receptor antagonist is this molecule? Option A: It affects mu-, kappa-, and delta-opioid receptors. Option B: It is a gamma-aminobutyric acid type A (GABAA) receptor antagonist. Option C: It blocks serotonin reuptake and increases serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. Option D: It increases serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. " B 10071196 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C Question about this molecule: Which kind of receptor antagonist is this molecule? Option A: It acts on dopamine receptors. Option B: It acts at serotonin receptors. Option C: It stimulates dopamine D2 receptors. Option D: It is an oral dopamine receptor agonist. " B 5362449 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC Question about this molecule: Which kind of receptor antagonist is this molecule? Option A: It is an NMDA receptor antagonist. Option B: It acts as an OP1 receptor agonist. Option C: It is a neurokinin 1 receptor antagonist. Option D: It is a D1 and D2 receptor antagonist. " A 14677 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42 Question about this molecule: Which kind of receptor antagonist is this molecule? Option A: It stimulates dopamine D2 receptors. Option B: It is a histamine H1-receptor antagonist. Option C: It shows weak antagonism at the dopamine D2 receptor. Option D: It binds to the histamine H1 receptor. " D 60823 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 Question about this molecule: Which kind of reduction can this molecule cause? Option A: It can reduce morbidity of osteolytic bone metastases by inhibiting tumor-induced bone resorption. Option B: It can reduce the risk of ototoxicity associated with [cisplatin]. Option C: It can reduce abnormal cholesterol and lipid levels, and ultimately reduce the risk of cardiovascular disease. Option D: It can reduce estrogen levels by 98 percent while raising testosterone levels. " C 3902 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3 Question about this molecule: Which kind of reduction can this molecule cause? Option A: It can reduce estrogen levels by 98 percent while raising testosterone levels. Option B: It can cause hypoglycemia and require consistent food intake to decrease this risk. Option C: It can reduce the risk of ototoxicity associated with [cisplatin]. Option D: It can reduce abnormal cholesterol and lipid levels, and ultimately reduce the risk of cardiovascular disease. " A 4919 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O Question about this molecule: Which kind of reduction can this molecule cause? Option A: It can produce mydriasis and reduction in salivation. Option B: It can cause hypoglycemia and require consistent food intake to decrease this risk. Option C: It can reduce both supine and standing blood pressure. Option D: It can reduce estrogen levels by 98 percent while raising testosterone levels. " A 8982 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O Question about this molecule: What is the right information about this molecule's resistance? Option A: Most grasses are resistant to it. Option B: It is resistant to penicillinase. Option C: Resistance to it among susceptible organisms is relatively low. Option D: It is resistant to other penicillins, except those caused by MRSA. " D 3010818 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5 Question about this molecule: What is the right information about this molecule's resistance? Option A: The barrier for development of resistance to NS3/4A inhibitors is lower than that of NS5B inhibitors. Option B: Treatment with first-generation EGFR-TKIs has been associated with the development of resistance through activating mutations in the EGFR gene. Option C: It has a significantly higher barrier to resistance than the first generation NS5A inhibitors, such as [DB09027] and [DB09102]. Option D: The barrier to the development of resistance to NS5A inhibitors is lower than that of NS5B inhibitors. " A 16760564 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CNC3=CC=CC=C32)/C=C/C(=C/[C@H](C)[C@H](CC4=CC=CC=C4)OC)/C Question about this molecule: What is the right information about this molecule's resistance? Option A: It remains a valuable option in the face of growing resistance to front-line antibiotics such as β-lactams and cephalosporins. Option B: It is resistant to enzymatic hydrolysis by some general proteases, such as pepsin, trypsin, collagenase, and chymotrypsin. Option C: The toxins are also resistant to enzymatic hydrolysis by some general proteases. Option D: Treatment with first-generation EGFR-TKIs has been associated with the development of resistance through activating mutations in the EGFR gene. " C 67505836 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC Question about this molecule: What is the right information about this molecule's resistance? Option A: It is effective where resistance to organophosphate insecticides has developed. Option B: It exhibits a high barrier to the development of resistance. Option C: Resistance to it among susceptible organisms is relatively low. Option D: It resists corrosion even at high temperatures. " B 135398736 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1[C@@H](C(=O)N1S(=O)(=O)[O-])NC(=O)/C(=N\\OC(C)(C)C(=O)O)/C2=CSC(=[NH+]2)N Question about this molecule: What is the right information about this molecule's resistance? Option A: It is resistant to penicillinase. Option B: It is resistant to beta-lactamases. Option C: It is highly resistant to a broad spectrum of beta-lactamases. Option D: Most grasses are resistant to it. " B 71661251 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC Question about this molecule: What is the right information about this molecule's resistance? Option A: Treatment with first-generation EGFR-TKIs has been associated with the development of resistance through activating mutations in the EGFR gene. Option B: The barrier to the development of resistance to NS5A inhibitors is lower than that of NS5B inhibitors. Option C: The barrier for development of resistance to NS3/4A inhibitors is lower than that of NS5B inhibitors. Option D: It has a significantly higher barrier to resistance than the first generation NS5A inhibitors, such as [DB09027] and [DB09102]. " B 44603531 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=O)N1 Question about this molecule: What is the right information about this molecule's resistance? Option A: It has a significantly higher barrier to resistance than the first generation NS5A inhibitors, such as [DB09027] and [DB09102]. Option B: The barrier for development of resistance to NS3/4A inhibitors is lower than that of NS5B inhibitors. Option C: The barrier to the development of resistance to NS5A inhibitors is lower than that of NS5B inhibitors. Option D: Substitutions at amino acid positions 155, 156, or 168 can confer resistance to it. " D 6033664 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)/C=C(/C4=CC=C(C=C4)Cl)\\Cl)C Question about this molecule: What is the right information about this molecule's resistance? Option A: Insects with certain mutations in their sodium channel gene may be resistant to pyrethroid insecticides. Option B: It remains a valuable option in the face of growing resistance to front-line antibiotics such as β-lactams and cephalosporins. Option C: It can cause resistance in insects with certain mutations in their sodium channel gene to pyrethroid insecticides. Option D: The barrier for development of resistance to NS3/4A inhibitors is lower than that of NS5B inhibitors. " C 135415867 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It is associated with a low rate of serum aminotransferase elevations during therapy but has not been linked to instances of clinically apparent acute liver injury. Option B: It is associated with a low rate of transient serum aminotransferase elevations, but has yet to be linked to instances of acute liver injury. Option C: It is associated with a low rate of serum aminotransferase elevations during therapy, but has not been linked to instances of acute, clinically apparent liver injury. Option D: It is associated with a low rate of serum aminotransferase elevations during therapy, but has not been linked to instances of clinically apparent acute liver injury. " B 9869929 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO)Cl Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been linked to serum enzyme elevations during therapy or to instances of clinically apparent acute liver injury. Option B: It has not been linked to significant serum enzyme elevations during therapy or to instances of clinically apparent acute liver injury. Option C: It is not associated with serum enzyme elevations during therapy and has yet to be linked to instances of clinically apparent acute liver injury. Option D: It is a relatively new medication and has yet to be linked to instances of serum enzyme elevations or with clinically apparent acute liver injury. " D 2247 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It was withdrawn from market by the manufacturer in 1999 due to the potential to cause arrhythmias at high doses, especially when taken with CYP inhibitors or grapefruit juice. Option B: The potential of it to cause hepatotoxicity and the greater safety of newer anesthetics has led to a decrease in its use, currently limited to special situations, particularly in children. Option C: The FDA withdrew its approval for the use of this molecule gluconate topical tincture 0.5% due to a significant number of reports concerning chemical and thermal burns associated with the use of this product. Option D: It does not appear to be a significant cause of drug induced liver injury, but can be associated with flares of the underlying hepatitis B either during therapy or upon withdrawal. " A 71731823 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1C2=C(C=CC(=C2)F)C(=O)N(CC3=NN(C(=C3C4=CC(=C(N=C4)N)O1)C#N)C)C Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It is associated with a low rate of transient elevations in serum aminotransferase levels during therapy, but has not been convincingly linked to cases of clinically apparent liver injury with jaundice. Option B: It is associated with transient and usually mild elevations in serum aminotransferase during therapy, but has not been convincingly linked to cases of clinically apparent liver injury. Option C: It is associated with transient elevations in serum aminotransferase levels during treatment but has not been linked to instances of clinically apparent acute liver injury that have been described with other similar kinase inhibitors. Option D: It is associated with a moderate rate of transient elevations in serum aminotransferase during therapy, but has not been linked to instances of clinically apparent liver injury. " C 16130199 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)C Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been associated with serum aminotransferase elevations during therapy or episodes of acute, clinically apparent liver injury. Option B: It has not been associated with serum aminotransferase elevations or cases of clinically apparent acute liver injury. Option C: It has not been associated with serum aminotransferase elevations during therapy or instances of clinically apparent acute liver injury. Option D: It has not been linked to serum aminotransferase elevations during therapy nor to instances of clinically apparent liver injury. " A 3010818 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5 Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It is associated with a modest rate of minor serum enzyme elevations during therapy, but it has not been linked to cases of clinically apparent liver injury. However, it has been reported to cause reactivation of hepatitis B. Option B: It does not appear to be a significant cause of drug-induced liver injury, but initiation of therapy and sudden withdrawal of therapy can induce a transient exacerbation of the underlying hepatitis B. Option C: It is frequently associated with serum enzyme elevations, but more importantly, it has been linked to rapid onset, severe hypersensitivity reactions that can be associated with acute hepatic necrosis, liver failure, and death. Option D: It was not linked to instances of acute liver injury during therapy, but was linked to cases of severe cutaneous reactions such as DRESS and Stevens Johnson syndrome which were associated with mild hepatic injury. " D 10182969 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has a low rate of serum aminotransferase elevations during therapy and has not been linked to instances of clinically apparent acute liver injury. Option B: It is associated with a low rate of serum aminotransferase elevations during therapy and has not been linked to instances of clinically apparent acute liver injury. Option C: It has been linked to a low rate of serum aminotransferase elevations during therapy and to rare instances of clinically apparent liver injury. Option D: It is associated with a low rate of serum aminotransferase elevations during therapy and with rare instances of clinically apparent, acute liver injury. " C 10220503 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC(=O)NC[C@@H]1C[C@H]1C2=C3CCOC3=CC=C2 Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It is associated with a low rate of transient serum enzyme elevations during treatment, but has not been implicated in cases of clinically apparent acute liver injury. Option B: It has been linked to a low rate of serum enzyme elevations during therapy, but has not been implicated in cases of clinically apparent acute liver injury. Option C: It is associated with a low rate of transient serum enzyme elevations during therapy, but has not been implicated in cases of clinically apparent acute liver injury with jaundice. Option D: It is associated with a low rate of serum enzyme elevations, but has not been implicated in cases of clinically apparent liver injury. " D 56959087 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC=C)O Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been associated with serum enzyme elevations during therapy or with instances of clinically apparent liver injury. Option B: It has not been linked to serum enzyme elevations during therapy or to clinically apparent liver injury. Option C: It has not been found to be associated with serum enzyme elevations during therapy or to instances of clinically apparent liver injury. Option D: It has not been linked to serum enzyme elevations during therapy or to instances of clinically apparent liver injury. " B 2381 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been associated with serum enzyme elevations during treatment and must be a very rare cause of clinically apparent acute liver injury, if it occurs at all. Option B: It has been associated with rare instances of serum enzyme elevations during treatment, but has not been linked to cases of clinically apparent liver injury with jaundice. Option C: It has not been associated with worsening of serum enzyme elevations during therapy or with cases of clinically apparent liver injury with jaundice. Option D: It has not been associated with serum enzyme elevations during therapy or with cases of clinically apparent liver injury with jaundice, but its general use has been quite limited. " A 8490 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has been linked to rare instances of hypersensitivity reactions accompanied by mild-to-moderate acute liver injury. Option B: Neither inhalant nor oral it has been linked to serum enzyme elevations during therapy or to convincing instances of clinically apparent acute liver injury. Option C: Water is used to deactivate the mixture to lessen the explosion hazard. Option D: It has not been associated with serum enzyme elevations during treatment nor to instances of clinically apparent acute liver injury. " C 11556711 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C[C@@H](C(=O)[C@]1(CO1)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC3=CC=CC=C3)NC(=O)CN4CCOCC4 Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It is associated with a low rate of serum enzyme elevations during treatment and has been implicated in rare instances of clinically apparent, acute liver injury. Option B: It is associated with a low rate of serum enzyme elevations during treatment and to rare instances of clinically apparent, acute liver injury. Option C: It is associated with a low rate of transient serum enzyme elevations during treatment and has been implicated in rare cases of acute liver injury. Option D: It therapy is associated with low rate of transient serum enzyme elevations during treatment and has been implicated in rare cases of acute liver injury. " A 53235510 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It is associated with a moderate rate of transient elevations in serum aminotransferase during therapy, but has not been linked to instances of clinically apparent liver injury. Option B: It is associated with a low rate of transient elevations in serum aminotransferase levels during therapy, but has not been convincingly linked to cases of clinically apparent liver injury with jaundice. Option C: It is associated with a low rate of serum aminotransferase elevations during therapy, but has not been linked to instances of acute, clinically apparent liver injury. Option D: It is associated with transient and usually mild elevations in serum aminotransferase during therapy, but has not been convincingly linked to cases of clinically apparent liver injury. " D 60198 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has a low rate of serum enzyme elevations during therapy and rare instances of clinically apparent acute liver injury. Option B: It has a low rate of serum enzyme elevations during therapy and rare instances of clinically apparent liver injury. Option C: It has been linked to a low rate of serum enzyme elevations during therapy and to rare instances of clinically apparent acute liver injury. Option D: It has been associated with a low rate of serum enzyme elevations during therapy and rare instances of clinically apparent liver injury. " D 3108 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has been linked to a low rate of serum enzyme elevations during therapy, but has not been implicated in cases of clinically apparent acute liver injury. Option B: It is associated with a low rate of transient serum enzyme elevations during treatment, but has not been implicated in cases of clinically apparent acute liver injury. Option C: It is associated with a low rate of transient serum enzyme elevations during therapy, but has not been linked convincingly to cases of clinically apparent acute liver injury. Option D: It is associated with a low rate of serum enzyme elevations during treatment, but has not been linked to instances of clinically apparent acute liver injury. " D 2789 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been associated with serum aminotransferase or alkaline phosphatase elevations, and clinically apparent liver injury from it has not been reported and must be very rare, if it occurs at all. Option B: It has not been associated with serum aminotransferase elevations during therapy, and clinically apparent liver injury from this molecule has yet to be reported and must be rare, if it occurs at all. Option C: It has not been associated with serum aminotransferase or alkaline phosphatase elevations, and clinically apparent liver injury from it has been reported, but is very rare. Option D: Therapy with it has not been associated with serum aminotransferase elevations, and clinically apparent liver injury from it has yet to be reported and must be rare, if it occurs at all. " D 4046 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O Question about this molecule: What is the right information about this molecule's safety concerns? Option A: Long term therapy with this molecule is associated with a low rate of serum enzyme elevations and is a rare cause of clinically apparent acute liver injury. Option B: Long-term therapy is associated with a low rate of serum enzyme elevations and is a very rare cause of clinically apparent acute liver injury. Option C: It is associated with a low rate of transient and asymptomatic serum enzyme elevations and is a rare cause of clinically apparent acute liver injury. Option D: Long term therapy is associated with a low rate of serum enzyme elevations and is a rare cause of clinically apparent acute liver injury. " C 5394 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1C(=O)N2C=NC(=C2N=N1)C(=O)N Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It is associated with a low rate of serum enzyme elevations during treatment and has been implicated in rare instances of clinically apparent, acute liver injury. Option B: It is associated with a low rate of serum enzyme elevations during treatment and to rare instances of clinically apparent, acute liver injury. Option C: It has been associated with a low rate of serum enzyme elevations during treatment and with rare instances of clinically apparent cholestatic liver injury. Option D: It has been associated with a low rate of serum enzyme elevations during treatment and with rare instances of clinically apparent liver injury with jaundice. " C 64139 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It is associated with a minimal rate of serum enzyme elevations during therapy and has only rarely been implicated as a cause of clinically apparent liver injury. Option B: It is associated with a low rate of serum enzyme elevations during therapy and is an uncommon, but well-established cause of clinically apparent acute liver injury. Option C: It is associated with a minimal rate of serum enzyme elevations during therapy and has only rarely been implicated as a cause of clinically apparent acute liver injury. Option D: It is associated with a low rate of serum enzyme elevations during treatment and has been implicated in rare instances of clinically apparent, acute liver injury. " B 4449 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It does not appear to be a significant cause of drug induced liver injury, but can be associated with flares of the underlying hepatitis B either during therapy or upon withdrawal. Option B: It does not appear to be a significant cause of drug-induced liver injury, but initiation of therapy and sudden withdrawal of therapy can induce a transient exacerbation of the underlying hepatitis B. Option C: It was discontinued in 2003 in some countries due to the small possibility of hepatic (liver) injury, which could lead to the need for a liver transplant, or even death. Option D: It is associated with a modest rate of minor serum enzyme elevations during therapy, but it has not been linked to cases of clinically apparent liver injury. However, it has been reported to cause reactivation of hepatitis B. " C 10071196 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C Question about this molecule: What is the right information about this molecule's safety concerns? Option A: Use of it is associated with a low rate of serum enzyme elevations during therapy but it has not been linked to instances of clinically apparent acute liver injury. Option B: It is associated with a low rate of serum enzyme elevations during treatment, but has not been linked to instances of clinically apparent acute liver injury. Option C: It is associated with a low rate of transient serum enzyme elevations during therapy, but has not been linked convincingly to cases of clinically apparent acute liver injury. Option D: It is associated with a low rate of transient serum enzyme elevations during treatment, but has not been implicated in cases of clinically apparent acute liver injury. " A 65999 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It is associated with a low rate of serum aminotransferase elevations during therapy but has not been linked to instances of clinically apparent acute liver injury. Option B: It is associated with a low rate of serum aminotransferase elevations during therapy, but has not been linked to instances of clinically apparent acute liver injury. Option C: It is associated with a low rate of serum aminotransferase elevations during therapy, but has not been linked to instances of acute, clinically apparent liver injury. Option D: It is associated with a low rate of transient serum aminotransferase elevations, but has yet to be linked to instances of acute liver injury. " D 5090 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It was withdrawn from the market worldwide following reports of adverse reactions, including reports of carcinogenicity in animal studies. Option B: It was withdrawn in 2004 because of an association with an increase in cardiovascular events with its long-term use. Option C: Its therapy is associated with low rates of serum enzyme elevations and has been linked to only rare cases of clinically apparent liver injury. Option D: It was withdrawn from markets in 2005 due to concerns about a possible increased risk of heart attack and stroke. " B 1201549 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been associated with serum enzyme elevations during treatment and has not been linked to cases of clinically apparent acute liver injury. Option B: It has not been linked to serum enzyme elevations during therapy or to instances of clinically apparent acute liver injury. Option C: It has not been associated with serum enzyme elevations during treatment nor has it been implicated in cases of acute liver injury. Option D: It has not been associated with serum enzyme elevations during treatment nor to instances of clinically apparent acute liver injury. " A 3718 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It was withdrawn from the market worldwide following reports of adverse reactions, including reports of carcinogenicity in animal studies. Option B: It has not been associated with worsening of serum enzyme elevations during therapy or with cases of clinically apparent liver injury with jaundice. Option C: It has been associated with rare instances of serum enzyme elevations during treatment, but has not been linked to cases of clinically apparent liver injury with jaundice. Option D: It has not been associated with serum enzyme elevations during therapy or with cases of clinically apparent liver injury with jaundice, but its general use has been quite limited. " A 4101 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1N2CN3CN1CN(C2)C3 Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been linked to serum enzyme elevations during therapy or to instances of clinically apparent acute liver injury. Option B: It has not been linked to serum enzyme elevations or to instances of clinically apparent acute liver injury. Option C: It has not been linked to either serum enzyme elevations or to clinically apparent acute liver injury. Option D: It has not been linked to significant serum enzyme elevations during therapy or to instances of clinically apparent acute liver injury. " B 11511120 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been linked to instances of clinically apparent acute liver injury. Option B: It has not been linked to instances of clinically apparent liver injury. Option C: It has not been linked to instances of clinically apparent, acute liver injury. Option D: It has not been associated with instances of clinically apparent liver injury. " A 24821094 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N Question about this molecule: What is the right information about this molecule's safety concerns? Option A: Therapy with it has been associated with a low rate of serum enzyme elevations, but has not been clearly linked to cases of clinically apparent acute liver injury. Option B: It has been linked to rare cases of clinically apparent acute liver injury and to reactivation of hepatitis B. Option C: Chronic therapy with this molecule has not been associated with serum enzyme elevations, but has been linked to rare cases of mild, clinically apparent liver injury. Option D: Mesalamine therapy has been associated with a low rate of serum enzyme elevations during therapy and with rare instances of clinically apparent acute liver injury. " B 9651 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been linked to instances of clinically apparent acute liver injury. Option B: It has not been implicated as a cause of clinically apparent liver injury. Option C: It has not been implicated in causing clinically apparent acute liver injury. Option D: It has not been linked to instances of clinically apparent, acute liver injury. " B 10280735 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has been linked to rare instances of clinically apparent drug induced liver injury. Option B: It has been linked to rare cases of clinically apparent acute liver injury. Option C: It has been linked to rare instances of clinically apparent acute liver injury. Option D: It has been associated with rare instances of clinically apparent, acute liver injury. " C 16362 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been associated with serum aminotransferase elevations during therapy or episodes of acute, clinically apparent liver injury. Option B: It has not been linked to serum aminotransferase elevations during therapy nor to instances of clinically apparent liver injury. Option C: It has not been associated with serum aminotransferase elevations or cases of clinically apparent acute liver injury. Option D: It has not been associated with serum aminotransferase elevations during therapy or instances of clinically apparent acute liver injury. " C 5352062 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C/C=C\\1/C(=O)N[C@H](C(=O)O[C@H]\\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(C)C Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It does not appear to be a significant cause of drug-induced liver injury, but initiation of therapy and sudden withdrawal of therapy can induce a transient exacerbation of the underlying hepatitis B. Option B: It is frequently associated with serum enzyme elevations, but more importantly, it has been linked to rapid onset, severe hypersensitivity reactions that can be associated with acute hepatic necrosis, liver failure, and death. Option C: It is associated with a modest rate of minor serum enzyme elevations during therapy, but it has not been linked to cases of clinically apparent liver injury. However, it has been reported to cause reactivation of hepatitis B. Option D: It does not appear to be a significant cause of drug induced liver injury, but can be associated with flares of the underlying hepatitis B either during therapy or upon withdrawal. " C 969472 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCN(CC1)C(=O)O[C@H]2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been linked to either serum enzyme elevations or to clinically apparent acute liver injury. Option B: It has not been associated with serum enzyme elevations or clinically apparent liver injury. Option C: It has not been implicated in causing serum enzyme elevations or clinically apparent liver injury. Option D: It has not been implicated in causing liver enzyme elevations or clinically apparent acute liver injury. " C 449193 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been linked to serum enzyme elevations during therapy or to instances of clinically apparent acute liver injury. Option B: It has not been linked to significant serum enzyme elevations during therapy or to instances of clinically apparent acute liver injury. Option C: It has not been found to be associated with serum enzyme elevations during therapy or to instances of clinically apparent liver injury. Option D: It has not been linked to serum enzyme elevations during therapy or to instances of clinically apparent liver injury. " B 159269 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It is associated with a modest rate of minor serum enzyme elevations during therapy, but it has not been linked to cases of clinically apparent liver injury. However, it has been reported to cause reactivation of hepatitis B. Option B: It does not appear to be a significant cause of drug-induced liver injury, but initiation of therapy and sudden withdrawal of therapy can induce a transient exacerbation of the underlying hepatitis B. Option C: It does not appear to be a significant cause of drug induced liver injury, but can be associated with flares of the underlying hepatitis B either during therapy or upon withdrawal. Option D: It is frequently associated with serum enzyme elevations, but more importantly, it has been linked to rapid onset, severe hypersensitivity reactions that can be associated with acute hepatic necrosis, liver failure, and death. " C 10275777 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It is associated with a low rate of serum aminotransferase elevations during therapy, but has not been linked to instances of acute, clinically apparent liver injury. Option B: It has been linked to a low rate of serum aminotransferase elevations during therapy but has not been linked to instances of clinically apparent liver injury. Option C: It is associated with a low rate of serum aminotransferase elevations during therapy, but has not been linked to instances of clinically apparent acute liver injury. Option D: It is associated with a low rate of serum aminotransferase elevations during therapy but has not been linked to instances of clinically apparent acute liver injury. " B 2353 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been linked to serum aminotransferase elevations during therapy nor to instances of clinically apparent liver injury. Option B: It has not been associated with serum aminotransferase elevations during therapy or episodes of acute, clinically apparent liver injury. Option C: It has not been associated with serum aminotransferase elevations during therapy or instances of clinically apparent acute liver injury. Option D: It has not been associated with serum aminotransferase elevations or cases of clinically apparent acute liver injury. " A 5577 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been linked convincingly to elevations in serum enzymes during therapy and despite widescale use for almost 50 years, it has rarely been linked to instances of clinically apparent liver injury with jaundice. Option B: It has not been associated with worsening of serum enzyme elevations during therapy or with cases of clinically apparent liver injury with jaundice. Option C: It has been associated with rare instances of serum enzyme elevations during treatment, but has not been linked to cases of clinically apparent liver injury with jaundice. Option D: It has not been associated with serum enzyme elevations during therapy or with cases of clinically apparent liver injury with jaundice, but its general use has been quite limited. " A 4201 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been associated with instances of clinically apparent liver injury. Option B: It has not been linked convincingly to cases of clinically apparent acute liver injury. Option C: It has not been convincingly linked to cases of clinically apparent liver injury. Option D: It has not been linked to cases of clinically apparent liver injury. " C 25074470 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8 Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been associated with instances of clinically apparent liver injury. Option B: It has not been linked convincingly to cases of clinically apparent acute liver injury. Option C: It has not been linked to cases of clinically apparent liver injury. Option D: It has not been convincingly linked to cases of clinically apparent liver injury. " B 11693 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-] Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been associated with serum enzyme elevations or clinically apparent liver injury. Option B: It has not been linked to either serum enzyme elevations or to clinically apparent acute liver injury. Option C: It has not been implicated in causing serum enzyme elevations or clinically apparent liver injury. Option D: It has not been implicated in causing liver enzyme elevations or clinically apparent acute liver injury. " D 3902 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3 Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has a low rate of serum enzyme elevations during therapy and rare instances of clinically apparent acute liver injury. Option B: It has a low rate of serum enzyme elevations during therapy and rare instances of clinically apparent liver injury. Option C: It has been linked to a low rate of serum enzyme elevations during therapy and to rare instances of clinically apparent acute liver injury. Option D: It has been associated with a low rate of serum enzyme elevations during therapy and rare instances of clinically apparent liver injury. " B 2187 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has a low rate of serum enzyme elevations during therapy and rare instances of clinically apparent acute liver injury. Option B: It has a low rate of serum enzyme elevations during therapy and rare instances of clinically apparent liver injury. Option C: It has been linked to a low rate of serum enzyme elevations during therapy and to rare instances of clinically apparent acute liver injury. Option D: It has been associated with a low rate of serum enzyme elevations during therapy and rare instances of clinically apparent liver injury. " B 6445540 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It is associated with a low rate of serum enzyme elevation during therapy, but it has not been linked to cases of clinically apparent liver injury with jaundice. Option B: Its use is associated with a low rate of serum enzyme elevation, but it has not been linked to cases of clinically apparent liver injury with jaundice. Option C: It is associated with a low rate of serum enzyme elevations during treatment, but has not been linked to instances of clinically apparent acute liver injury. Option D: Use of it is associated with a low rate of serum enzyme elevations during therapy but it has not been linked to instances of clinically apparent acute liver injury. " B 68873 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been linked to serum enzyme elevations during therapy and is an exceedingly rare cause of idiosyncratic clinically apparent acute liver injury. Option B: It has not been associated with serum enzyme elevations during treatment and must be a very rare cause of clinically apparent acute liver injury, if it occurs at all. Option C: It has been linked to low rates of transient and asymptomatic serum enzyme elevations during therapy but has not been associated with instances of clinically apparent acute liver injury. Option D: It has been the subject of widespread safety concern due to the possibility of an increased risk of venous thromboembolism associated with its use. " D 16158208 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)N)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been associated with clinically apparent liver injury. Option B: It has not been associated with instances of clinically apparent liver injury. Option C: It has not been linked to episodes of clinically apparent liver injury. Option D: It has not been linked to instances of clinically apparent liver injury. " C 5210 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has been linked to rare cases of clinically apparent acute liver injury. Option B: It has only rarely been implicated in cases of clinically apparent, acute liver injury. Option C: It has been linked to rare instances of clinically apparent acute liver injury. Option D: It has been associated with rare instances of clinically apparent, acute liver injury. " B 3157 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It is associated with a low rate of serum aminotransferase elevations during therapy, but has not been linked to instances of acute, clinically apparent liver injury. Option B: It is associated with a low rate of transient and mild serum aminotransferase elevations during therapy but has not been linked to instances of clinically apparent acute liver injury. Option C: It is associated with a low rate of transient and asymptomatic serum aminotransferase elevations during therapy, but has not been linked to instances of clinically apparent acute drug-induced liver injury. Option D: It is associated with a low rate of transient serum aminotransferase elevations and has not been linked to instances of clinically apparent acute liver injury. " D 441383 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl Question about this molecule: What is the right information about this molecule's safety concerns? Option A: Cream and suppository forms have demonstrated high levels of safety, efficacy, and tolerability in clinical trials. There are 4 possible stereoisomers for terconazole due to the existence of 2 stereocentres. Option B: Eugenol in therapeutic doses has not been implicated in causing serum enzyme elevations or clinically apparent liver injury, but ingestions of high doses, as with an overdose, can cause severe liver injury. Option C: The use of it is pending revision due to safety concerns in regards to an increased risk of severe exacerbation of asthma symptoms, leading to hospitalization as well as death in some patients using long-acting beta agonists for the treatment of asthma. Option D: The potential of it to cause hepatotoxicity and the greater safety of newer anesthetics has led to a decrease in its use, currently limited to special situations, particularly in children. " A 644241 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It has not been associated with serum enzyme elevations during treatment and has not been linked to cases of clinically apparent acute liver injury. Option B: It was relatively safe and offered significant therapeutic benefits in cases of CML resistant to treatment with imatinib. Option C: Pharmacologic doses of it have not been associated with cases of clinically apparent drug-induced liver disease. Option D: It has not been associated with worsening of serum enzyme elevations during therapy or with cases of clinically apparent liver injury with jaundice. " B 115358 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)OC Question about this molecule: What is the right information about this molecule's safety concerns? Option A: It is associated with a low rate of transient serum enzyme elevations during therapy, but has not been linked convincingly to cases of clinically apparent acute liver injury. Option B: It has been linked to low rates of transient and asymptomatic serum enzyme elevations during therapy but has not been associated with instances of clinically apparent acute liver injury. Option C: It is associated with a low rate of transient serum enzyme elevations during treatment, but has not been implicated in cases of clinically apparent acute liver injury. Option D: It is associated with a low rate of transient serum enzyme elevations during therapy, but has not been implicated in cases of clinically apparent acute liver injury with jaundice. " B 9869929 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO)Cl Question about this molecule: Which kind of selectivity does this molecule have/exhibit? Option A: It has greater selectivity for PDE5. Option B: It has greater selectivity. Option C: It has selectivity for If channels. Option D: It has selectivity for PDE5 over PDE6. " D 56959087 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC=C)O Question about this molecule: Which kind of selectivity does this molecule have/exhibit? Option A: It has selectivity for estrogen receptor beta (ERβ). Option B: It has selectivity for peripheral opioid receptors. Option C: It has selectivity for peripheral blood vessels. Option D: It has selectivity for beta2 receptors. " B 11949646 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl Question about this molecule: Which kind of selectivity does this molecule have/exhibit? Option A: It has higher selectivity toward the alpha-2 adrenergic receptors. Option B: It has selectivity for inhibiting biosynthesis of valine and isoleucine. Option C: It has selectivity for muscarinic receptors in the lungs. Option D: It has selectivity for SGLT2 over SGLT1. " D 1201549 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 Question about this molecule: Which kind of selectivity does this molecule have/exhibit? Option A: It has selectivity for beta2 receptors. Option B: It has selectivity for estrogen receptor beta (ERβ). Option C: It has selectivity for dopamine uptake inhibition. Option D: It has selectivity for the H2 receptor. " C 49803313 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5 Question about this molecule: Which kind of selectivity does this molecule have/exhibit? Option A: It has greater selectivity. Option B: It has no selectivity. Option C: It has selectivity for If channels. Option D: It has good selectivity. " A 2435 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br Question about this molecule: Which kind of selectivity does this molecule have/exhibit? Option A: It has selectivity for muscarinic receptors in the lungs. Option B: It has higher selectivity toward the alpha-2 adrenergic receptors. Option C: It exerts the highest degree of selectivity for the serotonin transporter (SERT). Option D: It has selectivity for inhibiting biosynthesis of valine and isoleucine. " B 6033664 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)/C=C(/C4=CC=C(C=C4)Cl)\\Cl)C Question about this molecule: Which kind of sensitivity does this molecule have/exhibit? Option A: It can harm sensitive individuals. Option B: It becomes shock sensitive. Option C: It is a sensitive high explosive. Option D: It is especially sensitive to shock and heat. " A 6758 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC Question about this molecule: What is the smell of this molecule? Option A: It has a sweet smell. Option B: It has neither odor nor taste. Option C: It has no smell or taste. Option D: It has no smell. " B 17596 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] Question about this molecule: What is the smell of this molecule? Option A: It has no smell or taste. Option B: It has no smell. Option C: It has a distinctive smell. Option D: The smell is not known. " D 5993 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl Question about this molecule: What is the smell of this molecule? Option A: It has a sweet smell. Option B: It has a characteristically sharp smell. Option C: It has a mild, irritating smell. Option D: It has a sharp, unpleasant smell. " C 7219 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C=CC2=CC=CC=C21 Question about this molecule: How is the solubility of this molecule Option A: It is readily soluble in water. Option B: It is practically insoluble in water. Option C: It is insoluble in water. Option D: It is soluble in water. " C 31275 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1COCCO1 Question about this molecule: How is the solubility of this molecule Option A: It dissolves easily in water. Option B: It will dissolve in water. Option C: It easily dissolves in water. Option D: They readily dissolve in water. " C 8490 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] Question about this molecule: How is the solubility of this molecule Option A: It sinks and mixes slowly with water. Option B: It is mixed with up to 15% water. Option C: It sinks in and mixes slowly with water. Option D: It mixes slowly with water. " B 969491 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@H]4[C@@H]2O4)[C@]5(C(=C([C@@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl Question about this molecule: How is the solubility of this molecule Option A: It is soluble in water. Option B: It is readily soluble in water. Option C: It is practically insoluble in water. Option D: It is insoluble in water. " D 3589 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl Question about this molecule: How is the solubility of this molecule Option A: It is soluble in water. Option B: It is insoluble in water. Option C: It is readily soluble in water. Option D: It is practically insoluble in water. " B 17596 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] Question about this molecule: How is the solubility of this molecule Option A: It dissolves easily in water. Option B: It dissolves only slightly in water. Option C: They readily dissolve in water. Option D: It dissolves slightly in water. " D 5993 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl Question about this molecule: How is the solubility of this molecule Option A: It is insoluble in water and slightly denser than water. Option B: It is slightly soluble in water and denser than water. Option C: It is generally denser than water and insoluble in water. Option D: It is insoluble in water and denser than water. " C 8478 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-] Question about this molecule: How is the solubility of this molecule Option A: It dissolves in water to form flammable, corrosive solutions. Option B: It has a low aqueous solubility, low risk of leaching to groundwater, and is non-volatile. Option C: A 1% solution in water is slightly alkaline to litmus. Option D: It has improved water solubility due to the replacement of chlorine ligands by oxalato bidentate. " C 9161 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC2=C3C(=C1)C=CC3=CC=C2 Question about this molecule: How is the solubility of this molecule Option A: It is practically insoluble in water. Option B: It is readily soluble in water. Option C: It is insoluble in water. Option D: It is soluble in water. " C 5362449 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC Question about this molecule: How is the solubility of this molecule Option A: It is readily soluble in water. Option B: It is soluble in boiling water. Option C: Sparingly soluble in water. Option D: It is soluble in water. " C 60857 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3 Question about this molecule: How is the solubility of this molecule Option A: It is practically insoluble in water. Option B: It is soluble in water. Option C: It is soluble in boiling water. Option D: It is readily soluble in water. " D 9862076 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl Question about this molecule: How is the solubility of this molecule Option A: It has a low aqueous solubility. Option B: It has a low solubility profile. Option C: It has a high level of solubility. Option D: It has low aqueous solubility. " D 4707 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br Question about this molecule: Which kind of specificity does this molecule have/exhibit? Option A: It is specific for the gate-keeper T790M mutations which increases ATP binding activity to EGFR and result in poor prognosis for late-stage disease. Option B: It is a potent, cell-permeable, reversible ATP-competitive inhibitor of EGFR tyrosine kinase activity. Option C: It has higher specificity for pulmonary beta receptors versus beta1-adrenergic receptors located in the heart. Option D: It reduces pathologic arousal and affective tension in some psychotic patients, while the symptoms of abnormal mental integration are relatively unaffected. " B 6473883 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O Question about this molecule: Which kind of stability does this molecule have/exhibit? Option A: The oxazine ring containing the hemi-aminal group is unstable under both acidic and alkaline conditions. Option B: It is the most abundant and stable of the 25 known radioisotopes of zinc. Option C: At physiological pH, it is highly unstable, rapidly decomposing to give CO2, NO2, and hydroxyl radicals. Option D: It has greater lactone stability in plasma compared with other topoisomerase I inhibitors. " A 16760564 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CNC3=CC=CC=C32)/C=C/C(=C/[C@H](C)[C@H](CC4=CC=CC=C4)OC)/C Question about this molecule: How is the stability of this molecule Option A: Microcystins are chemically stable over a wide range of temperature and pH. Option B: It is chemically stable over a wide range of temperature and pH, possibly as a result of its cyclic structure. Option C: It is stable at acidic pH but undergoes spontaneous nonenzymatic hydrolysis at neutral or slightly basic pH. Option D: They are chemically stable over a wide range of temperature and pH. " B 5394 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1C(=O)N2C=NC(=C2N=N1)C(=O)N Question about this molecule: How is the stability of this molecule Option A: They are chemically stable over a wide range of temperature and pH. Option B: Microcystins are chemically stable over a wide range of temperature and pH. Option C: It is chemically stable over a wide range of temperature and pH, possibly as a result of its cyclic structure. Option D: It is stable at acidic pH but undergoes spontaneous nonenzymatic hydrolysis at neutral or slightly basic pH. " D 11949646 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl Question about this molecule: How is the stability of this molecule Option A: These molecules proved relatively pharmacokinetically unstable. Option B: It degrades rapidly and readily evaporates into air. Option C: It remains stereochemically stable following administration. Option D: Prolonged exposure to intense heat may cause the containers to rupture violently. " A 6033664 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)/C=C(/C4=CC=C(C=C4)Cl)\\Cl)C Question about this molecule: How is the stability of this molecule Option A: They are chemically stable over a wide range of temperature and pH. Option B: It degrades rapidly and readily evaporates into air. Option C: It is usually broken apart by sunlight and the atmosphere in one or two days. Option D: They are usually broken apart by sunlight and the atmosphere in one or two days. " D 2435 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br Question about this molecule: How is the stability of this molecule Option A: Lead is a stable element. Option B: It is oxidatively stable. Option C: It is unstable in the pure form. Option D: It is chemically stable. " B 6445540 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C Question about this molecule: How is the stability of this molecule Option A: Prolonged exposure to intense heat may cause the containers to rupture violently. Option B: It minimizes susceptibility to esterase degradation. Option C: It degrades rapidly and readily evaporates into air. Option D: Prolonged exposure to heat can cause the containers to rupture violently. " B 25166913 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC[C@H](C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N Question about this molecule: How is the stability of this molecule Option A: It is unstable in the pure form. Option B: They lack unstable functionality. Option C: It is a very unstable material. Option D: It is unstable. " B 4101 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1N2CN3CN1CN(C2)C3 Question about this molecule: What is the right information about this molecule's sublimation? Option A: It sublimes without decomposition at 410 °F. Option B: It sublimes readily at 217 °F and 54 mmHg. Option C: It sublimes slowly at 750 mmHg when heated to the melting point. Option D: It sublimes in a vacuum at about 505 °F with some decomposition. " D 441140 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC Question about this molecule: What is the right information about this molecule's sublimation? Option A: It sublimes slowly at 750 mmHg when heated to the melting point. Option B: It sublimes in a vacuum at about 505 °F with some decomposition. Option C: It sublimes readily at 217 °F and 54 mmHg. Option D: It sublimes without decomposition at 410 °F. " D 5546 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N Question about this molecule: Which kind of taste does this molecule have/exhibit? Option A: It has a bitter taste and slight odor. Option B: It is almost tasteless at first and has a slightly bitter aftertaste. Option C: It is tasteless at first with a bitter aftertaste. Option D: It has a slightly bitter aftertaste. " B 5430 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 Question about this molecule: Which kind of taste does this molecule have/exhibit? Option A: It is tasteless. Option B: It has a spicy taste. Option C: It has a sweet taste. Option D: It has a distinct taste. " A 8490 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] Question about this molecule: Which kind of taste does this molecule have/exhibit? Option A: It has a distinct taste. Option B: It is tasteless. Option C: The taste is unknown. Option D: It is odorless and tasteless. " C 4993 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl Question about this molecule: Which kind of taste does this molecule have/exhibit? Option A: It has a sweet taste. Option B: It has a spicy taste. Option C: It has a distinct taste. Option D: It is tasteless. " D 6758 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC Question about this molecule: Which kind of taste does this molecule have/exhibit? Option A: It has no odor or taste. Option B: It has neither odor nor taste. Option C: It has no taste. Option D: It has no smell or taste. " B 3440 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl Question about this molecule: Which kind of taste does this molecule have/exhibit? Option A: It is tasteless. Option B: It is almost tasteless. Option C: It has a distinct taste. Option D: It has a spicy taste. " B 73111 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O Question about this molecule: Which kind of taste does this molecule have/exhibit? Option A: It has a bitter taste and slight odor. Option B: It has a slightly bitter taste. Option C: It has a slight sweet taste. Option D: It has a slight odor and taste. " D 441140 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC Question about this molecule: Which kind of taste does this molecule have/exhibit? Option A: It is tasteless. Option B: It has a distinct taste. Option C: It has a spicy taste. Option D: It has a sweet taste. " A 8478 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-] Question about this molecule: Which kind of taste does this molecule have/exhibit? Option A: It has a very bitter taste. Option B: It has a slightly bitter taste. Option C: It has a bitter taste. Option D: It has a lightly bitter taste. " A 5339 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O Question about this molecule: Which kind of taste does this molecule have/exhibit? Option A: It has a sweet taste. Option B: It has a spicy taste. Option C: It is tasteless. Option D: It has a distinct taste. " C 4909 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 Question about this molecule: Which kind of taste does this molecule have/exhibit? Option A: It has a slightly acid taste. Option B: It has a slightly sweet taste. Option C: It has a slightly bitter burning taste. Option D: It has a slightly bitter taste. " D 4235 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl Question about this molecule: How is the tolerability of this molecule Option A: It is generally well tolerated but can rarely cause clinically apparent and serious acute liver injury. Option B: It may be better tolerated than other thrombocythemia treatments. Option C: It seems to be well tolerated, but patients with renal impairment may develop neurotoxicity. Option D: It has been better tolerated than tri- or heterocyclic antidepressants. " D 60846 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O Question about this molecule: How is the tolerability of this molecule Option A: The establishment of tolerability is required prior to dosing in treatment-naïve patients. Option B: Both cream and suppository forms have demonstrated high levels of safety, efficacy, and tolerability. Option C: It is generally well tolerated and a useful alternative to non-selective β-blocker drugs. Option D: It has a side-effect profile superior to that of other antihypertensive drugs. " D 65015 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3 Question about this molecule: How is the tolerability of this molecule Option A: It is well tolerated in most patients. Option B: It appears to be well tolerated. Option C: It is generally well tolerated. Option D: It was generally well tolerated. " C 441383 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl Question about this molecule: How is the tolerability of this molecule Option A: It has a side-effect profile superior to that of other antihypertensive drugs. Option B: Both cream and suppository forms have demonstrated high levels of safety, efficacy, and tolerability. Option C: It is generally well tolerated and a useful alternative to non-selective β-blocker drugs. Option D: The establishment of tolerability is required prior to dosing in treatment-naïve patients. " B 6324668 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can cause serious toxicity and possibly death. Option B: It exhibits rare acute liver toxicity. Option C: It exhibits potential neurotoxicity. Option D: It exhibits severe muscle toxicity. " C 124079379 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C(=C2C(=C1)OCO2)OC)C(=O)C(=C)C3=CC=CC=C3O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It causes extrahepatic biliary atresia in a zebrafish model. Option B: It has been associated with occasional cases of severe and distinctive acute hepatic failure. Option C: It can cause clinically apparent hepatic injury. Option D: It can cause rare instances of clinically apparent, acute cholestatic liver injury. " A 5281266 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]\\1[C@H]2[C@H](CC/C1=C\\C(=O)OCCN(C)C)[C@]3(CC[C@@H](C([C@@H]3C[C@@H]2O)(C)C)O)C Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with rare instances of idiosyncratic, clinically apparent liver injury that are usually mild and rapidly reversible on stopping. Option B: It has been linked to rare instances of clinically apparent, idiosyncratic drug induced liver disease. Option C: It has a digitalis-like effect on the heart and a strong local anesthetic action. Option D: It is one of the most potent and toxic long-acting local anesthetics, with parenteral use restricted to spinal anesthesia. " C 86367 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is toxic to birds, most aquatic organisms, and earthworms. Option B: It is moderately toxic to mammals, birds, earthworms and most aquatic organisms. Option C: It is moderately toxic to birds, most aquatic organisms, honeybees, and earthworms. Option D: It is moderately toxic to birds, most aquatic organisms, honeybees and earthworms. " A 11105289 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@H]1C[C@@]2([C@H](O[C@](C1)(O2)CCCCCCC[C@@H](C[C@@H]3[C@@H]([C@H]([C@H]([C@@](O3)(C[C@@H]([C@@H](C)/C=C/[C@H](CC[C@H]([C@H]([C@@H]4C[C@H]([C@@H]([C@H](O4)C[C@H]([C@@H](C[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C[C@@H](/C=C\\C=C\\C[C@H]([C@@H]([C@@H](C/C=C\\C(=C)CC[C@@H]([C@H]([C@@H]([C@H](C)C[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)/C=C\\[C@H]([C@@H](C[C@@H]7C[C@@H]8C[C@H](O7)[C@H](O8)CC[C@@H]9[C@@H](C[C@H](O9)CN)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)C[C@@H](C)CCCCC[C@H]([C@@H]([C@@H]([C@H]([C@@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C[C@@H]([C@@H](/C(=C/[C@@H](C[C@@H](C)[C@@H](C(=O)N/C=C/C(=O)NCCCO)O)O)/C)O)O)O)O)O)O)O)O)O)O)C Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with rare instances of idiosyncratic, clinically apparent liver injury that are usually mild and rapidly reversible on stopping. Option B: It is one of the most poisonous non-protein substances known, second only to maitotoxin in terms of toxicity in mice. Option C: Elevations in serum enzyme levels during therapy with this molecule are uncommon, and it has yet to be convincingly implicated in cases of idiosyncratic liver injury with jaundice. Option D: It more commonly causes transient elevations in serum aminotransferases without jaundice, but has been linked to rare instances of clinically apparent, idiosyncratic liver injury. " B 91692 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC(C1)N(CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is moderately toxic to mammals, birds, fish, and aquatic invertebrates. Option B: It is moderately toxic to birds, most aquatic organisms, honeybees, and earthworms. Option C: It is moderately toxic to mammals and does not bioaccumulate. Option D: It is moderately toxic to humans, mammals, birds and most aquatic organisms. " B 86173 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is moderately toxic to humans, mammals, birds and most aquatic organisms. Option B: It is considered to be a reproduction toxicant and is moderately toxic to birds and honey bees. Option C: It is moderately toxic to birds, most aquatic organisms, honeybees, and earthworms. Option D: It is moderately toxic to mammals, birds, fish, and aquatic invertebrates. " A 51351746 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N([C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O1)C(C)C)C)CC(C)C)C(C)C)C)[C@H](C)C(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: No toxicity has been reported in doses as high as 8 g per day. Option B: It is toxic to yeast at low concentrations (0.1-0.5 ug/ml). Option C: It has an acute toxicity (LD50) of 200 to 300 mg/kg in rodents. Option D: It has an incidence of severe liver damage of approximately 1 in 250,000 to 300,000 patient-years. " B 93483 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=CC=C1CSC(=NC2=C(C=C(C=C2)Cl)Cl)CN3C=NC=N3)Cl Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has low inhalation hazard and no apparent skin manifestations or other toxicity in humans. Option B: It shows a moderate level of toxicity to fish, daphnia and earthworms but is relatively non-toxic to honey bees, birds and algae. Option C: It has relatively low mammalian oral and dermal toxicity and broad control spectrum, making it widely used in lawn and garden settings. Option D: It can cause drowsiness, dizziness, headaches, eye, skin, and respiratory tract irritation, and unconsciousness at high levels when inhaled by humans. " B 9862076 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is moderately toxic to birds, most aquatic organisms, honeybees and earthworms. Option B: It is moderately toxic to birds, most aquatic organisms, honeybees, and earthworms. Option C: It is moderately toxic to humans, mammals, birds and most aquatic organisms. Option D: It is moderately toxic to mammals, birds, earthworms and most aquatic organisms. " A 153847 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC1(C(C1(Cl)Cl)C)C(=O)NC(C)C2=CC=C(C=C2)Cl Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is moderately toxic to mammals, birds, fish, and aquatic invertebrates. Option B: It shows a moderate level of toxicity to birds, fish and earthworms. Option C: It is moderately toxic to humans, mammals, birds and most aquatic organisms. Option D: It is moderately toxic to mammals, birds, earthworms and most aquatic organisms. " B 7276 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C(O1)C2=CC=CC=C2 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can cause clinically apparent liver injury. Option B: It can cause corneal injury, liver, and neurological effects. Option C: It can cause clinically apparent, acute liver injury. Option D: It can cause rare instances of acute, clinically apparent liver injury. " B 10788 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CN(C(=S)SC1)C Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has comparatively lower toxicity. Option B: It has low acute animal toxicity. Option C: It generally has been shown to be of low acute toxicity. Option D: It has low acute toxicity. " A 8982 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to rare instances of idiosyncratic drug induced liver disease. Option B: It has been linked to rare cases of idiosyncratic, clinically apparent liver injury. Option C: It has idiosyncratic liver injury. Option D: It has been linked to rare instances of clinically apparent, idiosyncratic liver injury. " C 71657455 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CN=C2)F)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with a low rate of transient serum aminotransferase elevations and rare instances of clinically apparent acute liver injury. Option B: It is associated with a moderate rate of serum aminotransferase elevations during therapy and rare instances of acute liver injury. Option C: It is associated with a moderate rate of serum aminotransferase elevations during therapy and rare instances of clinically apparent acute liver injury. Option D: It is associated with a low rate of transient serum aminotransferase elevations during therapy and rare cases of clinically apparent acute liver injury. " B 31275 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1COCCO1 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can irritate the eyes, nose, and throat and may cause headaches, dizziness, and nausea in humans. Option B: Acute and chronic inhalation exposure to it in humans can result in respiratory symptoms, and eye, nose, and throat irritation. Option C: It can cause vertigo, drowsiness, headache, anorexia, and irritation of the eyes, nose, throat, and lungs. Option D: It can cause irritation of the eyes, skin, nose, throat, and lungs, and damage to the brain and nervous system. " C 443872 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can be associated with transient asymptomatic elevations in serum aminotransferase levels and has been linked to rare instances of clinically apparent acute liver injury. Option B: It exhibits transient elevations in serum aminotransferase levels, but has yet to be linked to cases of clinically apparent drug induced liver disease. Option C: It is associated with transient and usually mild elevations in serum aminotransferase levels during therapy, but has not been linked to cases of clinically apparent acute liver injury. Option D: It can be associated with transient, usually asymptomatic elevations in serum aminotransferase levels and has been linked to rare instances of clinically apparent acute liver injury. " B 5430 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can cause mild and transient serum enzyme elevations and is rare cause of clinically apparent acute cholestatic liver injury. Option B: It causes clinically apparent cholestatic liver injury, which is rare but can be severe. Option C: It can cause mild and transient serum enzyme elevations and has been linked to rare instances of clinically apparent cholestatic liver injury. Option D: It can cause mild and transient serum enzyme elevations and is a rare cause of clinically apparent acute cholestatic liver injury. " B 2381 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been reported to cause serum enzyme elevations during therapy but has not been implicated in instances of clinically apparent acute liver injury. Option B: It has not been associated with serum enzyme elevations during treatment and must be a very rare cause of clinically apparent acute liver injury, if it occurs at all. Option C: It has not been linked to significant serum enzyme elevations during therapy or to instances of clinically apparent acute liver injury. Option D: It has a modest rate of serum enzyme elevations during therapy, but has not been convincingly linked to instances of clinically apparent acute liver injury. " B 5401 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with a low rate of transient serum aminotransferase elevations and rare instances of clinically apparent acute liver injury. Option B: It is associated with a low rate of transient serum aminotransferase elevations during therapy and rare cases of clinically apparent acute liver injury. Option C: It is associated with a low rate of transient serum aminotransferase elevations and with rare instances of clinically apparent acute liver injury. Option D: It is associated with a moderate rate of serum aminotransferase elevations during therapy and rare instances of clinically apparent acute liver injury. " A 67519 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=NNN=N1 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It emits toxic oxides of nitrogen when heated to decomposition. Option B: It emits toxic fumes when heated. Option C: It may emit toxic fumes when heated. Option D: It emits toxic oxides of nitrogen fumes when heated to decomposition. " D 54677470 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to rare instances of acute liver injury. Option B: It has been linked to rare instances of clinically apparent acute liver injury. Option C: It is linked to rare instances of clinically apparent acute liver injury. Option D: It is associated with rare instances of clinically apparent acute liver injury. " A 3823 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to instances of clinically apparent acute liver injury and long-term therapy to nodular regenerative hyperplasia. Option B: It has not been associated with serum enzyme elevations during therapy or with instances of clinically apparent acute liver injury with jaundice. Option C: It is a cause of clinically apparent acute drug induced liver injury and is no longer recommended as a first line antifungal agent. Option D: It has been associated with serum enzyme elevations during therapy and with rare instances of clinically apparent acute liver injury. " C 969491 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@H]4[C@@H]2O4)[C@]5(C(=C([C@@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is toxic by ingestion, inhalation, and skin absorption. Option B: It is toxic by inhalation, skin absorption, and ingestion. Option C: It is toxic by inhalation, skin absorption, or ingestion. Option D: It is toxic by inhalation, ingestion, and skin absorption. " B 2179 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It produces myelosuppression and cardiotoxic effects. Option B: It may cause neurotoxicity, especially in patients with renal impairment. Option C: It can cause sensitization and asthma in humans when inhaled at high concentrations. Option D: It can cause corneal injury, liver, and neurological effects. " A 5002 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has a moderate rate of serum aminotransferase elevations during therapy and rare instances of clinically apparent acute liver injury. Option B: It is associated with a low rate of transient serum aminotransferase elevations and with rare instances of clinically apparent acute liver injury. Option C: It is associated with a moderate rate of serum aminotransferase elevations and rare instances of clinically apparent acute liver injury. Option D: It is associated with serum aminotransferase elevations and rare instances of clinically apparent acute liver injury. " D 4369359 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to rare instances of clinically apparent acute liver injury. Option B: It has been linked to rare instances of acute liver injury. Option C: It is linked to rare instances of clinically apparent acute liver injury. Option D: It has only rare isolated reports of liver injury. " D 4046 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to instances of clinically apparent acute liver injury and long-term therapy to nodular regenerative hyperplasia. Option B: It has neurotoxic effects and potential serious neuropsychiatric effects. Option C: It has low to moderate acute toxicity, with kidney and liver effects as the main hazard concerns. Option D: It has not been associated with serum enzyme elevations during therapy or with instances of clinically apparent acute liver injury with jaundice. " B 18283 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is an uncommon, but well established cause of clinically apparent acute liver injury. Option B: It is a well-known cause of acute clinically apparent liver injury, which can be severe and sometimes fatal. Option C: It has been linked to rare, but occasionally severe cases of clinically apparent acute liver injury. Option D: It is an uncommon, but well-established cause of clinically apparent acute and chronic liver injury. " D 15558498 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is toxic and may be carcinogenic. Option B: It is mildly toxic and carcinogenic. Option C: It is highly toxic and carcinogenic. Option D: It is toxic and carcinogenic. " D 64139 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is an uncommon, but well-established cause of clinically apparent acute and chronic liver injury. Option B: It has been linked to rare, but occasionally severe cases of acute liver injury. Option C: It has been linked to rare, but occasionally severe cases of clinically apparent acute liver injury. Option D: It is an uncommon, but well established cause of clinically apparent acute liver injury. " D 4614 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to rare instances of idiosyncratic, clinically apparent acute liver injury. Option B: It has been linked to rare instances of idiosyncratic drug induced liver disease. Option C: It has been linked to rare instances of clinically apparent, idiosyncratic drug induced liver disease. Option D: It has been linked to rare instances of idiosyncratic drug-induced liver disease. " B 4449 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has an acute toxicity (LD50) of 200 to 300 mg/kg in rodents. Option B: It has low to moderate acute toxicity, with kidney and liver effects as the main hazard concerns. Option C: It has low inhalation hazard and no apparent skin manifestations or other toxicity in humans. Option D: It has an incidence of severe liver damage of approximately 1 in 250,000 to 300,000 patient-years. " D 5833 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to rare cases of clinically apparent drug induced liver disease. Option B: It has been linked to rare instances of clinically apparent acute drug induced liver injury. Option C: It has been linked to several instances of clinically apparent drug induced liver injury. Option D: It has been linked to rare instances of clinically apparent drug induced liver disease. " A 6758 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is toxic to fish. Option B: It is highly toxic to aquatic life, particularly fish. Option C: It is moderately toxic to fish. Option D: It is extremely toxic to birds. " A 34312 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to rare instances of clinically apparent acute drug induced liver injury. Option B: It is a known cause of clinically apparent acute drug induced liver injury. Option C: It has been linked to several instances of clinically apparent drug induced liver injury. Option D: It has very rarely been linked to clinically apparent acute drug induced liver injury. " A 3899 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with a moderate rate of serum aminotransferase elevations during therapy and rare instances of clinically apparent acute liver injury. Option B: It has a moderate rate of serum aminotransferase elevations during therapy and rare instances of clinically apparent acute liver injury. Option C: It is associated with a moderate rate of transient elevations in serum aminotransferase levels during therapy and with rare instances of clinically apparent acute liver injury. Option D: It is associated with frequent elevations in serum aminotransferase levels and with rare instances of clinically apparent acute liver injury. " D 10096344 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to rare instances of clinically apparent liver injury. Option B: It has been associated with rare instances of clinically apparent liver injury. Option C: It has been linked to rare instances of clinically apparent acute liver injury. Option D: It can be associated with rare instances of clinically apparent acute liver injury. " A 5090 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to transient serum aminotransferase elevations and rare instances of idiosyncratic drug induced liver disease. Option B: Therapy with this molecule is associated with transient elevations in serum aminotransferase levels and rare instances of clinically apparent acute liver injury, which can be severe and sometimes fatal. Option C: It can be associated with transient, usually asymptomatic elevations in serum aminotransferase levels and has been linked to rare instances of clinically apparent acute liver injury. Option D: It more commonly causes transient elevations in serum aminotransferases without jaundice, but has been linked to rare instances of clinically apparent, idiosyncratic liver injury. " A 108150 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been associated with serum enzyme elevations during therapy and with rare instances of clinically apparent acute liver injury. Option B: It is associated with a minimal rate of serum enzyme elevations during therapy and is a rare cause of clinically apparent liver injury. Option C: It can cause serum enzyme elevations during therapy and rare instances of clinically apparent acute liver injury. Option D: It is associated with a high rate of transient serum enzyme elevations during treatment and occasional instances of clinically apparent liver injury with jaundice. " D 9576037 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=NNC(=O)N(C1)/N=C/C2=CN=CC=C2 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It exhibits low acute toxicity to various organisms. Option B: It has low toxicity to mammals. Option C: It has low acute toxicity. Option D: It has low acute toxicity to mammals. " A 3589 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It exhibits toxicity by inhalation, skin absorption, and ingestion. Option B: It exhibits toxicity by ingestion, inhalation, and skin absorption. Option C: It may be toxic by ingestion, inhalation, and skin absorption. Option D: It is toxic by ingestion, inhalation, and skin absorption. " A 441243 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can cause clinically apparent acute liver injury. Option B: It can cause clinically apparent, acute liver injury. Option C: It can cause rare instances of acute, clinically apparent liver injury. Option D: It has been reported to cause clinically apparent fatal, acute liver injury. " A 60823 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can be associated with transient asymptomatic elevations in serum aminotransferase levels and has been linked to rare instances of clinically apparent acute liver injury. Option B: It is associated with mild, asymptomatic and self-limited serum aminotransferase elevations during therapy, and rarely with clinically apparent acute liver injury. Option C: It can cause mild, asymptomatic and self-limited serum aminotransferase elevations during therapy, and rarely with clinically apparent acute liver injury. Option D: It is associated with mild, asymptomatic and self-limited serum aminotransferase elevations during therapy and rarely with clinically apparent acute liver injury. " D 6468 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can cause inflammation and irritation to the urinary bladder and urethra, and similar changes have recently been described in the biliary tract, resulting in an acute or chronic cholestatic liver injury that can resemble sclerosing cholangitis. Option B: Ingestion of a large amount of this molecule can result in tinnitus, dizziness, headache, nausea, vomiting, dyspnea, erosion of the gastric mucosa, edema of internal organs, cyanosis, convulsions, delirium, and collapse in humans. Option C: It can lead to acute psychosis, aggressive and violent behaviors, and overdoses can cause status epilepticus, hyperthermia, rhabdomyolysis and subsequent renal, respiratory and hepatic failure. Option D: It has been associated with rare instances of idiosyncratic acute liver injury; in addition, prolonged high dose therapy can cause the “infusion syndrome” which is marked by bradyarrhythmias, metabolic acidosis, rhabdomyolysis, hyperlipidemia and an enlarged or fatty liver. " C 5944 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)OC2=O)C)O3 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: Acute exposure to high levels of it may cause severe dermatitis, eye irritation and tearing, asthma, gastritis, renal failure, vertigo, tremors, convulsions, and coma in humans. Option B: It can cause ulceration of the gastrointestinal and genitourinary tracts, along with electrolyte and renal function disturbance. Option C: It can cause minor transient serum enzyme elevations and has been linked to cases of acute liver injury including cholestatic hepatitis and acute veno-occlusive disease. Option D: It can lead to acute psychosis, aggressive and violent behaviors, and overdoses can cause status epilepticus, hyperthermia, rhabdomyolysis and subsequent renal, respiratory and hepatic failure. " B 942 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCCC1C2=CN=CC=C2 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is toxic by inhalation and skin absorption. Option B: It is very toxic by ingestion, inhalation, and skin absorption. Option C: It is toxic by inhalation and by skin absorption. Option D: It is toxic by ingestion and skin absorption. " C 41774 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with rare instances of clinically apparent acute liver injury. Option B: It has rare instances of clinically apparent acute liver injury. Option C: It has been linked to rare instances of clinically apparent acute liver injury. Option D: It can be associated with rare instances of clinically apparent acute liver injury. " C 60846 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with a low rate of transient serum aminotransferase elevations and rare instances of acute liver injury. Option B: It is associated with a low rate of transient serum aminotransferase elevations and rare instances of clinically apparent acute liver injury. Option C: It has a low rate of transient serum aminotransferase elevations and has been linked to rare instances of acute liver injury. Option D: It is associated with a low rate of transient serum aminotransferase elevations and with rare instances of clinically apparent acute liver injury. " C 4976 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CNCCCC1C2=CC=CC=C2C=CC3=CC=CC=C13 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can cause mild and transient serum enzyme elevations and is a rare cause of clinically apparent acute cholestatic liver injury. Option B: It has a low rate of mild and transient serum enzyme elevations and rare cases of clinically apparent acute cholestatic liver injury. Option C: It can cause mild and transient serum enzyme elevations and is rare cause of clinically apparent acute cholestatic liver injury. Option D: It can cause mild and transient serum enzyme elevations and has been linked to rare instances of clinically apparent cholestatic liver injury. " B 65015 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is generally well tolerated and has not been linked to serum enzyme elevations or clinically apparent liver injury. Option B: It has not been linked to instances of serum enzyme elevations during therapy or to clinically apparent liver injury. Option C: It has not been associated with serum enzyme elevations during therapy or with instances of clinically apparent liver injury. Option D: It is well tolerated and has not been linked to serum enzyme elevations or episodes of clinically apparent liver injury. " A 71616 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with transient and asymptomatic elevations in serum aminotransferase levels and is a well-known cause of clinically apparent, acute liver injury that can be severe and even fatal. Option B: It can cause transient and usually asymptomatic elevations in serum aminotransferase levels and is a rare cause of clinically apparent, acute liver injury. Option C: It can be associated with transient, usually asymptomatic elevations in serum aminotransferase levels and has been linked to rare instances of clinically apparent acute liver injury. Option D: It is associated with transient, asymptomatic serum aminotransferase elevations and is a known cause of clinically apparent acute drug-induced liver injury. " D 71301 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with rare instances of clinically apparent acute liver injury. Option B: It is linked to rare instances of clinically apparent acute liver injury. Option C: It has been linked to rare instances of clinically apparent acute liver injury. Option D: It has not been linked to instances of clinically apparent liver injury. " D 644073 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has mild, asymptomatic and self-limited serum aminotransferase elevations during therapy and rarely with clinically apparent acute liver injury. Option B: It is associated with mild and transient serum enzyme elevations and with moderate-to-severe clinically apparent liver injury when abused by intravenous administration or the sublingual formations. Option C: It is associated with mild, asymptomatic and self-limited serum aminotransferase elevations during therapy and rarely with clinically apparent acute liver injury. Option D: It can cause mild, asymptomatic and self-limited serum aminotransferase elevations during therapy, and rarely with clinically apparent acute liver injury. " B 23652731 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has not been associated with serum enzyme elevations during therapy or with instances of clinically apparent liver injury. Option B: It has not been linked to serum enzyme elevations during therapy or to instances of clinically apparent acute liver injury. Option C: It has not been linked to significant serum enzyme elevations during therapy or to instances of clinically apparent acute liver injury. Option D: It has not been linked to instances of serum enzyme elevations during therapy or to clinically apparent liver injury. " B 441401 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can cause mild and transient serum enzyme elevations and is a rare cause of clinically apparent acute and chronic cholestatic liver injury. Option B: It has been linked to rare instances of lactic acidosis and liver injury probably as a result of hepatic mitochondrial toxicity. Option C: It can cause mild and transient serum enzyme elevations and has been linked to rare instances of clinically apparent cholestatic liver injury. Option D: It can cause mild and transient serum enzyme elevations and is rare cause of clinically apparent acute cholestatic liver injury. " B 969472 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CCN(CC1)C(=O)O[C@H]2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has low toxicity and good selectivity. Option B: It has low acute animal toxicity. Option C: It has low toxicity, offering a safer alternative to other drugs used for insomnia. Option D: It has low acute toxicity. " C 73675 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is toxic in large doses. Option B: It can produce toxicity in high enough doses. Option C: It produces birth defects and embryotoxicity at high doses. Option D: It exhibits toxicity causing digestive problems and can be lethal in high doses. " C 441140 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to rare instances of clinically apparent acute drug induced liver injury. Option B: It has been linked to several instances of clinically apparent drug induced liver injury. Option C: It is a known cause of clinically apparent acute drug induced liver injury. Option D: It has very rarely been linked to clinically apparent acute drug induced liver injury. " D 3724 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is much less toxic than chromium (VI). Option B: It is believed to be less toxic to the kidneys than most other intravascular contrast agents. Option C: It is less potent but less toxic than the molecule produced in the 1950s. Option D: It is less toxic than most other nitrogen mustards, but it is a known carcinogen. " B 3559 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with rare instances of clinically apparent acute liver injury. Option B: It is linked to rare instances of clinically apparent acute liver injury. Option C: It has been linked to rare instances of clinically apparent acute liver injury. Option D: It has been linked to clinically apparent acute liver injury in very rare instances. " D 1935 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)N Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with a moderate rate of serum aminotransferase elevations and rare instances of clinically apparent acute liver injury. Option B: It is associated with a moderate rate of serum aminotransferase elevations during therapy and rare instances of clinically apparent acute liver injury. Option C: It has a moderate rate of serum aminotransferase elevations during therapy and rare instances of clinically apparent acute liver injury. Option D: It is associated with a very high rate of serum aminotransferase elevations and clinically apparent, acute liver injury. " D 57363 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has a low rate of transient serum aminotransferase elevations during therapy. Option B: It is associated with a low rate of transient serum aminotransferase elevations. Option C: It has a low rate of transient serum aminotransferase elevations and has been linked to rare instances of acute liver injury. Option D: It is associated with a low rate of transient serum aminotransferase elevations and rare instances of acute liver injury. " B 447043 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with rare instances of clinically apparent acute liver injury. Option B: It is linked to rare instances of clinically apparent acute liver injury. Option C: It has been linked to rare instances of clinically apparent acute liver injury. Option D: It has been linked to rare instances of acute liver injury. " D 6033664 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)/C=C(/C4=CC=C(C=C4)Cl)\\Cl)C Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can harm sensitive individuals. Option B: It can harm sensitive individuals, but is generally harmless to human beings in the concentrations used in such products. Option C: It can harm sensitive individuals, but in general, it is harmless to human beings. Option D: It is generally harmless to human beings but can harm sensitive individuals. " A 5993 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is toxic by inhalation, ingestion, and skin absorption. Option B: It is toxic by ingestion, inhalation, or skin absorption. Option C: It is toxic by ingestion, inhalation, and skin absorption. Option D: It is toxic by inhalation, ingestion, or skin absorption. " D 441130 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can rarely result in clinically apparent, cholestatic liver injury. Option B: It can cause rare instances of clinically apparent, acute cholestatic liver injury. Option C: It has been linked to rare instances of clinically apparent cholestatic liver injury. Option D: It is a rare cause of clinically apparent acute cholestatic liver injury. " A 5330286 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can cause liver injury marked by progressive intrahepatic bile duct injury, some of which resulted in liver transplantation or were fatal. Option B: It can result in weakness, headache, dizziness, nausea, abdominal pain, myotonia, hypotension, renal and hepatic injury, and delayed neuropathy. Option C: It can cause an unusual form of liver injury called pseudocirrhosis caused by shrinkage of tumor metastases in the liver combined with desmoplastic changes and vascular damage, that can be severe, progressive and even fatal. Option D: It can lead to liver injury, jaundice, enlargement of the liver and spleen, portal hypertension, and cirrhosis. " C 2585 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to at least one instance of clinically apparent liver injury. Option B: It has rare occurrences of clinically apparent liver injury. Option C: It has been linked to rare instances of clinically apparent acute liver injury. Option D: It has been associated with rare instances of clinically apparent liver injury. " A 91439 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been associated with rare instances of idiosyncratic acute liver injury; in addition, prolonged high dose therapy can cause the “infusion syndrome” which is marked by bradyarrhythmias, metabolic acidosis, rhabdomyolysis, hyperlipidemia and an enlarged or fatty liver. Option B: It can lead to acute psychosis, aggressive and violent behaviors, and overdoses can cause status epilepticus, hyperthermia, rhabdomyolysis and subsequent renal, respiratory and hepatic failure. Option C: It can reverse free radical neurotoxicity produced by 1-ethyl-4-phenylpyridium (MPP+) in dopaminergic neurones and reverse the decrease of neuronal growth factors and dopamine receptors in the brain. Option D: Ingestion of a large amount of this molecule can result in tinnitus, dizziness, headache, nausea, vomiting, dyspnea, erosion of the gastric mucosa, edema of internal organs, cyanosis, convulsions, delirium, and collapse in humans. " C 5487 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to rare instances of acute liver injury, a few of which have been fatal. Option B: It has been linked to rare cases of drug-induced liver injury, some of which have been fatal. Option C: It has rare instances of acute liver injury, some of which have been fatal. Option D: It has been linked to rare instances of acute liver injury, some of which have been severe. " A 2353 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is extremely toxic to birds. Option B: It is relatively toxic parenterally. Option C: It is highly toxic. Option D: It is slightly toxic. " B 2541 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with a low rate of transient serum aminotransferase elevations and with rare instances of clinically apparent acute liver injury. Option B: It has a low rate of transient serum aminotransferase elevations and rare instances of acute liver injury. Option C: It is associated with a low rate of transient serum aminotransferase elevations and rare instances of acute liver injury. Option D: It has a low rate of transient serum aminotransferase elevations and has been linked to rare instances of acute liver injury. " C 392622 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can cause transient and usually asymptomatic elevations in serum aminotransferase levels and rare instances of clinically apparent acute liver injury. Option B: It is associated with transient elevations in serum aminotransferase and bilirubin levels and rare instances of clinically apparent acute liver injury. Option C: It is associated with frequent elevations in serum aminotransferase levels and with rare instances of clinically apparent acute liver injury. Option D: It has transient elevations in serum aminotransferase and bilirubin levels and rare instances of clinically apparent acute liver injury. " A 150610 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)[C@@H](C)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is a rare cause of clinically apparent acute cholestatic liver injury. Option B: It can cause rare instances of clinically apparent, acute cholestatic liver injury. Option C: It can cause clinically apparent acute and chronic cholestatic liver injury. Option D: It has been linked to rare instances of clinically apparent acute cholestatic liver injury. " B 84098 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It demonstrates developmental toxicity and has been classified as a Group B2 carcinogen (probable human carcinogen). Option B: It can cause minor transient serum enzyme elevations and has been linked to cases of acute liver injury including cholestatic hepatitis and acute veno-occlusive disease. Option C: It can cause manganism, a neurodegenerative disorder that causes dopaminergic neuronal death and parkinsonian-like symptoms. Option D: It exhibits toxicity against HCT116 cells (human colorectal cancer cells) by triggering apoptotic cell death. " A 24965990 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@H]1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with rare occurrence of transient serum enzyme elevations, but has not been implicated in cases of clinically apparent liver injury. Option B: It has not been linked to significant serum enzyme elevations during therapy or to instances of clinically apparent acute liver injury. Option C: It has rarely been implicated in causing serum enzyme elevations and has not been reported to cause clinically apparent liver injury. Option D: It has been reported to cause serum enzyme elevations during therapy but has not been implicated in instances of clinically apparent acute liver injury. " A 40632 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CN(C(=O)C=C1)C2=CC=CC=C2 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been reported to cause serum enzyme elevations during therapy but has not been implicated in instances of clinically apparent acute liver injury. Option B: It can be associated with mild serum enzyme elevations, but has yet to be linked to instances of clinically apparent liver injury with jaundice. Option C: It can cause elevations in serum enzyme levels, but has yet to be implicated in cases of clinically apparent liver injury with jaundice. Option D: It has not been associated with serum enzyme elevations during therapy or with instances of clinically apparent acute liver injury with jaundice. " C 11625818 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can cause mild and transient serum enzyme elevations and is a rare cause of clinically apparent acute cholestatic liver injury. Option B: It is associated with a minimal rate of serum enzyme elevations during therapy and is a rare cause of clinically apparent liver injury. Option C: It is associated with a high rate of serum enzyme elevations during therapy and can cause clinically apparent acute liver injury that can be severe and even fatal. Option D: It is associated with an appreciable rate of serum enzyme elevations and is a well established cause of clinically apparent acute liver injury. " C 135463437 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1[C@@H]2[C@@H](C([C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)(O)O)OP(=O)(O1)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It causes signs and symptoms shortly after birth due to a build-up of toxic sulfites. Option B: It has been associated with serum enzyme elevations during therapy and with rare instances of clinically apparent acute liver injury. Option C: It has not been associated with serum enzyme elevations during therapy or with instances of clinically apparent liver injury. Option D: It has not been associated with serum enzyme elevations during therapy or with instances of clinically apparent acute liver injury with jaundice. " A 5717 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is an uncommon, but well-established cause of clinically apparent acute and chronic liver injury. Option B: It has been linked to rare, but occasionally severe cases of acute liver injury. Option C: It is an uncommon, but well established cause of clinically apparent acute liver injury. Option D: It has been linked to rare, but occasionally severe cases of clinically apparent acute liver injury. " B 5281037 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\\CC3=CC=CS3)/C(=O)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with a low rate of transient serum aminotransferase elevations, but has yet to be linked to instances of clinically apparent acute liver injury. Option B: It has been linked to a low rate of transient serum aminotransferase elevations during therapy and to rare instances of clinically apparent liver injury. Option C: It has a low rate of transient serum aminotransferase elevations during therapy, but has not been linked to instances of clinically apparent acute liver injury. Option D: It is associated with a low rate of transient serum aminotransferase elevations but has yet to be linked to instances of acute liver injury. " D 3055 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to rare but convincing instances of liver injury that can be severe and even fatal. Option B: It has been linked to rare instances of acute liver injury that can be severe and even fatal. Option C: It may result in serious toxicity in children. Option D: It has been linked to rare instances of acute liver injury that can be severe and result in death. " C 3902 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been reported to cause clinically apparent fatal, acute liver injury. Option B: It can cause sensitization and asthma in humans when inhaled at high concentrations. Option C: It may cause kidney problems above 5mg/day for extended periods. Option D: It may cause neurotoxicity, especially in patients with renal impairment. " C 50367 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has low mammalian toxicity, but there is a slight concern regarding its ability to bioaccumulate. Option B: It has lower toxicity against vertebrates than most conventional insecticides. Option C: It has relatively low mammalian oral and dermal toxicity, but can still have broad control spectrum. Option D: It has low mammalian toxicity, but there is some concern regarding its potential for bioaccumulation. " B 208908 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can cause transient and usually asymptomatic elevations in serum aminotransferase levels and is a rare cause of clinically apparent, acute liver injury. Option B: It can be associated with transient, usually asymptomatic elevations in serum aminotransferase levels and has been linked to rare instances of clinically apparent acute liver injury. Option C: It is associated with transient elevations in serum aminotransferase levels and rare instances of clinically apparent acute liver injury. Option D: It can be associated with transient asymptomatic elevations in serum aminotransferase levels and has been linked to rare instances of clinically apparent acute liver injury. " C 4909 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has not been associated with serum enzyme elevations during treatment and must be a very rare cause of clinically apparent acute liver injury, if it occurs at all. Option B: It has been reported to cause serum enzyme elevations during therapy but has not been implicated in instances of clinically apparent acute liver injury. Option C: It has a modest rate of serum enzyme elevations during therapy, but has not been convincingly linked to instances of clinically apparent acute liver injury. Option D: It is not associated with serum aminotransferase elevations and clinically apparent liver injury from this molecule has not been reported and must be quite rare if it occurs at all. " D 5362449 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It affects the liver, including hepatitis and jaundice, and central nervous system effects, such as depression and irritability. Option B: It can lead to liver injury, jaundice, enlargement of the liver and spleen, portal hypertension, and cirrhosis. Option C: Deaths and hospitalizations have been reported in recreational use by poor CYP2D6 metabolizers. Option D: It can cause neurotoxicity in humans, including numbness, cyanosis, hyperesthesia, and muscle spasms. " C 53465279 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has not been linked to serum enzyme elevations nor to instances of clinically apparent acute liver injury. Option B: It has not been associated with serum enzyme elevations during therapy or with instances of clinically apparent liver injury. Option C: It has not been linked to instances of serum enzyme elevations during therapy or to clinically apparent liver injury. Option D: It has not been linked to significant serum enzyme elevations during therapy or to instances of clinically apparent acute liver injury. " B 92727 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been reported to cause clinically apparent fatal, acute liver injury. Option B: It can cause clinically apparent liver injury. Option C: It can cause clinically apparent acute liver injury. Option D: It can cause clinically apparent, acute liver injury. " D 49803313 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can cause clinically apparent acute drug-induced liver injury. Option B: It can be associated with clinically apparent acute liver injury. Option C: It has been reported to cause clinically apparent fatal, acute liver injury. Option D: It can cause clinically apparent acute liver injury. " D 148192 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can cause clinically apparent, acute liver injury. Option B: It is suspected to cause rare instances of clinically apparent acute liver injury. Option C: It can cause clinically apparent acute liver injury. Option D: It can be associated with rare instances of clinically apparent acute liver injury. " C 9829523 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is suspected to cause rare instances of clinically apparent acute liver injury. Option B: It is linked to rare instances of clinically apparent acute liver injury. Option C: It is associated with rare instances of clinically apparent acute liver injury. Option D: It can be associated with rare instances of clinically apparent acute liver injury. " A 89683805 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been associated with rare instances of clinically apparent liver injury. Option B: It has been linked to rare instances of clinically apparent acute liver injury. Option C: It has rare instances of clinically apparent acute liver injury. Option D: It is associated with rare instances of clinically apparent acute liver injury. " D 4528 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is associated with an increased incidence of hemolytic anemia. Option B: It affects health parameters and is associated with increased risk of chronic kidney disease. Option C: It has been linked to an increased risk of lung and nasal cancers. Option D: It is associated with high rates of enzyme elevations and acute liver injury due to sinusoidal obstruction syndrome. " A 5281078 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\\C)/CCC(=O)OCCN3CCOCC3)O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It generally does not cause nephrotoxicity or fibrosis. Option B: It has low to moderate acute toxicity, with kidney and liver effects as the main hazard concerns. Option C: It exhibits moderate acute oral toxicity to mammals but has high acute oral toxicity to birds. Option D: It has low inhalation hazard and no apparent skin manifestations or other toxicity in humans. " A 3034010 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to rare instances of acute liver injury that can be severe and even fatal. Option B: It has rare instances of acute liver injury, some of which have been fatal. Option C: It has been linked to rare instances of acute liver injury, some of which have been severe. Option D: It has been linked to rare cases of drug-induced liver injury, some of which have been fatal. " C 6398625 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1=C[As]C=C1 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is a poisonous metalloid. Option B: It is extremely poisonous. Option C: It is a poisonous inorganic compound. Option D: It is poisonous. " D 42611257 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has been linked to rare, but occasionally severe cases of clinically apparent acute liver injury. Option B: It is associated with rare but potentially severe instances of acute liver injury with jaundice. Option C: It is associated with rare instances of clinically apparent, acute liver injury that can be severe and even fatal. Option D: It has been linked to rare, but occasionally severe cases of acute liver injury. " A 54682461 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It is a rare cause of clinically apparent, acute liver injury. Option B: It is associated with rare instances of clinically apparent acute liver injury. Option C: It can be associated with rare instances of clinically apparent acute liver injury. Option D: It is linked to rare instances of clinically apparent acute liver injury. " A 21307 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(SCCO1)C(=O)NC2=CC=CC=C2 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has low acute toxicity. Option B: It has low acute toxicity to mammals. Option C: It generally has been shown to be of low acute toxicity. Option D: It has low acute animal toxicity. " A 4893 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has a low rate of transient serum aminotransferase elevations and has not been clearly linked to clinically apparent acute liver injury. Option B: It is associated with a low rate of transient serum aminotransferase elevations, but has yet to be linked to instances of clinically apparent acute liver injury. Option C: It has been linked to a low rate of transient serum aminotransferase elevations during therapy and to rare instances of clinically apparent liver injury. Option D: It has a low rate of transient serum aminotransferase elevations during therapy, but has not been linked to instances of clinically apparent acute liver injury. " A 9862076 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has low mammalian toxicity, but there is some concern regarding its potential for bioaccumulation. Option B: It has low dermal, oral, and inhalation toxicity. Option C: It has low mammalian oral and dermal toxicity. Option D: It has relatively low mammalian oral and dermal toxicity. " A 25166913 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CN1CC[C@H](C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It has a moderate rate of serum aminotransferase elevations during therapy and rare instances of clinically apparent acute liver injury. Option B: It is associated with a moderate rate of serum aminotransferase elevations and rare instances of clinically apparent acute liver injury. Option C: It is associated with a moderate rate of serum aminotransferase elevations during therapy and rare instances of clinically apparent acute liver injury. Option D: It is associated with a moderate rate of serum aminotransferase elevations during therapy and rare instances of acute liver injury. " B 644241 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It can be associated with transient, usually asymptomatic elevations in serum aminotransferase levels and has been linked to rare instances of clinically apparent acute liver injury. Option B: It can cause transient and usually asymptomatic elevations in serum aminotransferase levels and is a rare cause of clinically apparent, acute liver injury. Option C: It can be associated with transient asymptomatic elevations in serum aminotransferase levels and has been linked to rare instances of clinically apparent acute liver injury. Option D: It is associated with transient elevations in serum aminotransferase levels and rare instances of clinically apparent acute liver injury. " D 4199 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=CC=C3 Question about this molecule: Which kind of toxicity does this molecule have/exhibit? Option A: It appears to have relatively low acute (short-term) and chronic (long-term) toxicity. Option B: It is relatively free of cardiotoxicity, drowsiness, and weight gain. Option C: It has low dermal, oral, and inhalation toxicity. Option D: It has relatively low mammalian oral and dermal toxicity, but can still have broad control spectrum. " B 8490 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] Question about this molecule: How is the volatileness of this molecule Option A: The liquid evaporates quickly when exposed to air. Option B: It evaporates more slowly than water. Option C: It creates fumes when burned with other substances. Option D: It evaporates to air and dissolves only slightly in water. " C 17596 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options. Molecule SMILES: C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] Question about this molecule: How is the volatileness of this molecule Option A: The liquid evaporates quickly when exposed to air. Option B: It will quickly evaporate into the air. Option C: Only a small amount of it will evaporate into the air. Option D: It readily evaporates into air. " C