hcaoaf/MoleculeQA · Datasets at Hugging Face

text stringlengths 3 799
" B
4497 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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)[N+](=O)[O-])C(=O)OCCOC
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It acts particularly on cerebral circulation and is used for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.
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 a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter.
Option D: It antagonizes the strychnine-insensitive glycine site of the NMDA receptor and prevents neurodegeneration produced by quinolinic acid.
" A
53355240 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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@@H](OC(=O)[C@H]1C)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)COC(=O)C
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It inhibits the accumulation of the pro-inflammatory iNOS protein.
Option B: It exhibits the action of concentrating its anti-inflammatory action at the site of application due to being a privalate salt.
Option C: It has vasodilating action due to its antagonism of the actions of the calcium ion in membrane functions.
Option D: It has cardiac stimulant action without evoking vasoconstriction or tachycardia.
" A
135886618 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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=CC(=N2)/C=C/C3=CC=CC=C3O.Cl
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 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 exerts a dose-dependent antagonism of the cysteinyl leukotriene pathway, preferentially antagonizing cysteinyl leukotriene receptor 1.
Option D: It exerts a dose-dependent antagonism of the cysteinyl leukotriene pathway and preferentially antagonizes cysteinyl leukotriene receptor 1.
" C
62920 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It is an anti-arrhythmia drug and a sodium channel blocker.
Option B: It acts as an L-type calcium channel blocker.
Option C: It acts as an anti-inflammatory agent and antibiotic.
Option D: It is a calcium-channel blocker and vasodilator.
" D
132472361 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(=N/P(=O)(OCC)F)/C
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It is an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a neurotoxin.
Option B: It binds irreversibly to acetylcholinesterase.
Option C: It inhibits acetylcholinesterase.
Option D: It inhibits cholinesterase enzyme.
" A
46907787 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It exhibits antiplasmodial and antitrypanosomal activities.
Option B: It acts as an anti-inflammatory agent and antibiotic.
Option C: It has antioxidant and anti-proliferative effects.
Option D: It exhibits anti-cancer and cardioprotective properties as an inhibitor of bromodomain-containing protein 4.
" D
65832 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(CCCN(C)CCC1=CC(=CC=C1)OC)(C#N)C2=CC(=C(C=C2)OC)OC
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It acts as an anti-inflammatory agent and antibiotic.
Option B: It is an anti-arrhythmia drug and a sodium channel blocker.
Option C: It acts as an L-type calcium channel blocker.
Option D: It is a calcium-channel blocker and vasodilator.
" C
8029 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It interacts predominantly with the opioid mu-receptors.
Option B: It allows one of the lone pairs of oxygen to reside in a p orbital and thus interact within the pi-system.
Option C: It exhibits the action of markedly altering the intermediary metabolism of alcohol.
Option D: It stabilizes the chemical balance in the brain disrupted by alcoholism.
" B
5311065 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(C1)C(=O)[C@@H]2CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N
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 interacts with V1, V2 or V3 receptors with differing signal cascade systems.
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.
" B
4680 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
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 can act on both N-type and L-type calcium channels.
Option C: It exhibits the action of directly stimulating the uterine muscle to increase force and frequency of contractions.
Option D: It has direct actions on blood vessels and increases cardiac output.
" A
2719 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It has a specific mode of action on insects.
Option B: It may be at least partially involved in a certain action.
Option C: The mechanism of its plasmodicidal action is not completely certain.
Option D: Its effects are more intense and its duration of action is shorter.
" C
65110 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N
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 DNA synthesis.
Option C: It is capable of stimulating AMP-dependent protein kinase (AMPK) activity.
Option D: It inhibits bacterial protein synthesis.
" C
5371562 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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\\C(=O)NC)/OP(=O)(OC)OC
Question about this molecule: Which kind of action does this molecule have/exhibit?

" B

4497 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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)[N+](=O)[O-])C(=O)OCCOC

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

Option A: It acts particularly on cerebral circulation and is used for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.

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 a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter.

Option D: It antagonizes the strychnine-insensitive glycine site of the NMDA receptor and prevents neurodegeneration produced by quinolinic acid.

" A

53355240 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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@@H](OC(=O)[C@H]1C)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)COC(=O)C

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

Option A: It inhibits the accumulation of the pro-inflammatory iNOS protein.

Option B: It exhibits the action of concentrating its anti-inflammatory action at the site of application due to being a privalate salt.

Option C: It has vasodilating action due to its antagonism of the actions of the calcium ion in membrane functions.

Option D: It has cardiac stimulant action without evoking vasoconstriction or tachycardia.

" A

135886618 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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=CC(=N2)/C=C/C3=CC=CC=C3O.Cl

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 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 exerts a dose-dependent antagonism of the cysteinyl leukotriene pathway, preferentially antagonizing cysteinyl leukotriene receptor 1.

Option D: It exerts a dose-dependent antagonism of the cysteinyl leukotriene pathway and preferentially antagonizes cysteinyl leukotriene receptor 1.

" C

62920 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl

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

Option A: It is an anti-arrhythmia drug and a sodium channel blocker.

Option B: It acts as an L-type calcium channel blocker.

Option C: It acts as an anti-inflammatory agent and antibiotic.

Option D: It is a calcium-channel blocker and vasodilator.

" D

132472361 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(=N/P(=O)(OCC)F)/C

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

Option A: It is an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a neurotoxin.

Option B: It binds irreversibly to acetylcholinesterase.

Option C: It inhibits acetylcholinesterase.

Option D: It inhibits cholinesterase enzyme.

" A

46907787 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C

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

Option A: It exhibits antiplasmodial and antitrypanosomal activities.

Option B: It acts as an anti-inflammatory agent and antibiotic.

Option C: It has antioxidant and anti-proliferative effects.

Option D: It exhibits anti-cancer and cardioprotective properties as an inhibitor of bromodomain-containing protein 4.

" D

65832 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(CCCN(C)CCC1=CC(=CC=C1)OC)(C#N)C2=CC(=C(C=C2)OC)OC

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

Option A: It acts as an anti-inflammatory agent and antibiotic.

Option B: It is an anti-arrhythmia drug and a sodium channel blocker.

Option C: It acts as an L-type calcium channel blocker.

Option D: It is a calcium-channel blocker and vasodilator.

" C

8029 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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

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

Option A: It interacts predominantly with the opioid mu-receptors.

Option B: It allows one of the lone pairs of oxygen to reside in a p orbital and thus interact within the pi-system.

Option C: It exhibits the action of markedly altering the intermediary metabolism of alcohol.

Option D: It stabilizes the chemical balance in the brain disrupted by alcoholism.

" B

5311065 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(C1)C(=O)[C@@H]2CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N

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 interacts with V1, V2 or V3 receptors with differing signal cascade systems.

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.

" B

4680 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC

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 can act on both N-type and L-type calcium channels.

Option C: It exhibits the action of directly stimulating the uterine muscle to increase force and frequency of contractions.

Option D: It has direct actions on blood vessels and increases cardiac output.

" A

2719 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl

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

Option A: It has a specific mode of action on insects.

Option B: It may be at least partially involved in a certain action.

Option C: The mechanism of its plasmodicidal action is not completely certain.

Option D: Its effects are more intense and its duration of action is shorter.

" C

65110 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N

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 DNA synthesis.

Option C: It is capable of stimulating AMP-dependent protein kinase (AMPK) activity.

Option D: It inhibits bacterial protein synthesis.

" C

5371562 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about 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\\C(=O)NC)/OP(=O)(OC)OC

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