hcaoaf/MoleculeQA · Datasets at Hugging Face

text stringlengths 3 799
" A
2764 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It inhibits the enzymes topoisomerase II and topoisomerase IV.
Option B: It inhibits the denaturation of proteins.
Option C: It selectively inhibits mitosis and cell division.
Option D: It inhibits cell-wall biosynthesis.
" A
5280443 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
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 mediates a cytotoxic action on colorectal cancer cells by inducing cell arrest and apoptosis.
Option C: It inhibits the increase in promoter activity observed following overexpression of PKCdelta, constitutively active Ras, or MEKK1.
Option D: 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.
" C
3365 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It interacts with 14-α demethylase.
Option B: It interacts with 14-alpha demethylase, a cytochrome P-450 enzyme.
Option C: It interacts with 14-alpha demethylase.
Option D: It interacts with 14-α demethylase, a cytochrome P-450 enzyme.
" D
3386 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It has little to no effect on norepinephrine or dopamine reuptake and does not antagonize α- or β-adrenergic, dopamine D2 or histamine H1 receptors.
Option B: It does not antagonize α- or β-adrenergic, dopamine D2 or histamine H1 receptors.
Option C: It acts as an excitotoxin on glutamate receptors such as NMDA, calcium dependent AMPA and kainite receptors.
Option D: It has little to no effect on norepinephrine or dopamine reuptake and does not antagonize α- or β-adrenergic, dopamine D2, or histamine H1 receptors.
" D
2197 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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)C2C(=O)C3=CC=CC=C3C2=O
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It exhibits the action of having prolonged pharmacological actions compared to vitamin D due to a negative feedback mechanism regulating the final activation step of vitamin D in the kidneys.
Option B: 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 C: It mediates a cytotoxic action on colorectal cancer cells by inducing cell arrest and apoptosis.
Option D: It inhibits the vitamin K-mediated gamma-carboxylation of precursor proteins.
" D
70788951 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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[PH+](CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au]
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It inhibits cell-wall biosynthesis.
Option B: It suppresses inflammation and stimulates cell-mediated immunity.
Option C: It inhibits DNA synthesis.
Option D: It selectively inhibits mitosis and cell division.
" B
5284583 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(=O)N)N1CCCC1=O
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It possesses a wide therapeutic index and little-to-no potential to produce, or be subject to, pharmacokinetic interactions.
Option B: 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 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 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.
" A
153909 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It binds irreversibly to acetylcholinesterase.
Option B: It cannot be broken down by acetylcholinesterase and the binding is irreversible.
Option C: It acts on acetolactate synthase (ALS), an enzyme involved in branched-chain amino acid biosynthesis.
Option D: It inhibits acetylcholinesterase.
" C
213021 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(=NC#N)N(C)CC1=CN=C(C=C1)Cl
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It inhibits acetylcholinesterase.
Option B: It acts by inhibition of cholinesterase activity.
Option C: It inhibits cholinesterase enzyme.
Option D: It binds irreversibly to acetylcholinesterase.
" D
25474 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1I)O)I)I)I)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It inhibits cell-wall biosynthesis.
Option B: It has a direct cytotoxic effect on microorganisms and cancer cells.
Option C: It inhibits normal cell division of microorganisms.
Option D: It selectively inhibits mitosis and cell division.
" B
71815 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(N1CC(C)O)[N+](=O)[O-]
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 damages and kills the target pathogen by forming a radical anion.
Option D: It acts as a transition state analogue for the hydrolysis of chloramphenicol esters.
" C
3366 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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=NC(=O)NC(=C1F)N
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 exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols.
Option D: It acts directly on fungal organisms by competitive inhibition of purine and pyrimidine uptake and indirectly by intracellular metabolism to 5-fluorouracil.
" D
1030 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(CO)O
Question about this molecule: Which kind of action does this molecule have/exhibit?

" A

2764 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It inhibits the enzymes topoisomerase II and topoisomerase IV.

Option B: It inhibits the denaturation of proteins.

Option C: It selectively inhibits mitosis and cell division.

Option D: It inhibits cell-wall biosynthesis.

" A

5280443 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O

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 mediates a cytotoxic action on colorectal cancer cells by inducing cell arrest and apoptosis.

Option C: It inhibits the increase in promoter activity observed following overexpression of PKCdelta, constitutively active Ras, or MEKK1.

Option D: 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.

" C

3365 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It interacts with 14-α demethylase.

Option B: It interacts with 14-alpha demethylase, a cytochrome P-450 enzyme.

Option C: It interacts with 14-alpha demethylase.

Option D: It interacts with 14-α demethylase, a cytochrome P-450 enzyme.

" D

3386 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It has little to no effect on norepinephrine or dopamine reuptake and does not antagonize α- or β-adrenergic, dopamine D2 or histamine H1 receptors.

Option B: It does not antagonize α- or β-adrenergic, dopamine D2 or histamine H1 receptors.

Option C: It acts as an excitotoxin on glutamate receptors such as NMDA, calcium dependent AMPA and kainite receptors.

Option D: It has little to no effect on norepinephrine or dopamine reuptake and does not antagonize α- or β-adrenergic, dopamine D2, or histamine H1 receptors.

" D

2197 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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)C2C(=O)C3=CC=CC=C3C2=O

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It exhibits the action of having prolonged pharmacological actions compared to vitamin D due to a negative feedback mechanism regulating the final activation step of vitamin D in the kidneys.

Option B: 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 C: It mediates a cytotoxic action on colorectal cancer cells by inducing cell arrest and apoptosis.

Option D: It inhibits the vitamin K-mediated gamma-carboxylation of precursor proteins.

" D

70788951 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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[PH+](CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au]

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It inhibits cell-wall biosynthesis.

Option B: It suppresses inflammation and stimulates cell-mediated immunity.

Option C: It inhibits DNA synthesis.

Option D: It selectively inhibits mitosis and cell division.

" B

5284583 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(=O)N)N1CCCC1=O

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It possesses a wide therapeutic index and little-to-no potential to produce, or be subject to, pharmacokinetic interactions.

Option B: 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 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 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.

" A

153909 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It binds irreversibly to acetylcholinesterase.

Option B: It cannot be broken down by acetylcholinesterase and the binding is irreversible.

Option C: It acts on acetolactate synthase (ALS), an enzyme involved in branched-chain amino acid biosynthesis.

Option D: It inhibits acetylcholinesterase.

" C

213021 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(=NC#N)N(C)CC1=CN=C(C=C1)Cl

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It inhibits acetylcholinesterase.

Option B: It acts by inhibition of cholinesterase activity.

Option C: It inhibits cholinesterase enzyme.

Option D: It binds irreversibly to acetylcholinesterase.

" D

25474 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1I)O)I)I)I)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It inhibits cell-wall biosynthesis.

Option B: It has a direct cytotoxic effect on microorganisms and cancer cells.

Option C: It inhibits normal cell division of microorganisms.

Option D: It selectively inhibits mitosis and cell division.

" B

71815 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(N1CC(C)O)[N+](=O)[O-]

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 damages and kills the target pathogen by forming a radical anion.

Option D: It acts as a transition state analogue for the hydrolysis of chloramphenicol esters.

" C

3366 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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=NC(=O)NC(=C1F)N

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 exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols.

Option D: It acts directly on fungal organisms by competitive inhibition of purine and pyrimidine uptake and indirectly by intracellular metabolism to 5-fluorouracil.

" D

1030 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(CO)O

Question about this molecule: Which kind of action does this molecule have/exhibit?