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What is the most relevant description of the following organic molecule? | ['The molecule is an aromatic ketone that is phenyl 1H-pyrazol-4-yl ketone in which the pyrazolyl group is substituted at positions 1 and 5 by methyl and hydroxy groups, respectively, and in which the phenyl group is substituted at positions 2, 3, and 4 by methyl, 4,5-dihydro-1,2-oxazol-3-yl, and methylsulfonyl groups,... | 2 | Its SMILES notation is CCCCC[C@H]1[C@H](O1)/C=C/C(C/C=C\\C/C=C\\CCCC(=O)[O-])O. | ChemQA/mol_caption_0 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a member of the class of carbazoles that is 1-(carbazol-9-yl)-3-(dimethylamino)propan-2-ol bearing two additional bromo substituents at positions 3 and 6 on the carbazole ring system. It is a member of carbazoles, an organobromine compound, a secondary alcohol and a tertiary amino compound.', 'The mol... | 1 | Its SMILES notation is [125Te]. | ChemQA/mol_caption_1 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by an oxo group at position 3, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antiplasmodial and antineoplastic activities. It has a role as an antineo... | 0 | Its SMILES notation is CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1(C4=CC[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C. | ChemQA/mol_caption_2 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a docosanoid that is (4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroperoxy substituents at the 7S- and 17S-positions. It has a role as a human xenobiotic metabolite. It is a docosanoid, a hydroperoxy fatty acid, a lipid hydroperoxide and a long-chain fatty acid. It derives from an all-... | 3 | Its SMILES notation is CN(C(=O)N)N=O. | ChemQA/mol_caption_3 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a medium-chain fatty acid that is non-2-enoic acid substituted at position 4 by a hydroxy group. It is an olefinic fatty acid, a hydroxy fatty acid, a medium-chain fatty acid and a straight-chain fatty acid.', 'The molecule is a vibsane diterpenoid that is (2Z,6E,10E)-cycloundeca-2,6,10-trien-1-one wh... | 2 | Its SMILES notation is C1=CC=C2C(=C1)C(=CN2)C3=NC=CS3. | ChemQA/mol_caption_4 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a L-histidine derivative that is N,N-dimethyl-L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively. It has a role as a marine metabolite, an antioxidant and a radical scavenger. It is an aryl thiol and a L-histidine derivative. It is a tautome... | 1 | Its SMILES notation is C([C@@H]1[C@H]([C@H](C(O1)NC(=O)C[NH3+])O)O)OP(=O)([O-])[O-]. | ChemQA/mol_caption_5 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a dialkyl phosphate in which the alkyl group specified is perfluorooctyl. It has a role as a xenobiotic and an environmental contaminant. It is a dialkyl phosphate and an organofluorine compound.', 'The molecule is the pyranose form of D-mannose 6-phosphate. It is a D-mannose 6-phosphate and a D-hexop... | 1 | Its SMILES notation is C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O. | ChemQA/mol_caption_6 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an organic heterotricyclic compound found in Pterocarpus santalinus. It has a role as a metabolite and a plant metabolite. It is an organic heterotricyclic compound, an aromatic ether, a cyclic ketone, a member of phenols, a tertiary alcohol and a tertiary alpha-hydroxy ketone.', 'The molecule is a sp... | 0 | Its SMILES notation is COC1=CC(=O)[C@@]2(C[C@]1([C@H](C3=CC(=C(C=C32)OC)O)C=C)OC)O. | ChemQA/mol_caption_7 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a member of the class of isoquinolines that is 1-benzylisoquinoline carrying an additional butyl substituent at position 4 on the phenyl ring.', 'The molecule is a long-chain primary fatty alcohol that is docosane substituted by a hydroxy group at position 1. It has a role as an antiviral agent. It is... | 1 | Its SMILES notation is CCCCCCCCCCCCCCCCCCCCCCO. | ChemQA/mol_caption_8 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a dipeptide formed from L-alanyl and L-aspartic acid residues. It has a role as a metabolite. It is a conjugate acid of an Ala-Asp(1-).', 'The molecule is a 1,3-diglyceride in which the acyl groups at positions 1 and 3 are specified as oleoyl and linoleoyl respectively. It is a diacylglycerol 36:3 and... | 2 | Its SMILES notation is C([C@@H]1[C@H]([C@@H](C(O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O. | ChemQA/mol_caption_9 | |
What is the most relevant description of the following organic molecule? | ["The molecule is a purine ribonucleoside 5'-diphosphate that is GDP substituted at the 3' position by an N-methylanthraniloyl group. It has a role as a fluorescent probe. It derives from a GDP and a N-methylanthranilic acid.", 'The molecule is an ADP-glycero-D-manno-heptose. It has a role as an Escherichia coli metabo... | 1 | Its SMILES notation is C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC4[C@H]([C@H]([C@@H]([C@H](O4)[C@@H](CO)O)O)O)O)O)O)N. | ChemQA/mol_caption_10 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a deoxyketohexose comprising the open-chain form of D-glucose lacking the -OH group at the 3-position and having the keto group at the 2-position. It is a deoxyketohexose and a deoxyglucose.', 'The molecule is a member of the class of dibenzofurans that is dibenzo[b,d]furan substituted by a hydroxy gr... | 1 | Its SMILES notation is C1=CC(=C2C3=C(C(=C(C=C3)Cl)Cl)OC2=C1)O. | ChemQA/mol_caption_11 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-methylphenyl group. It derives from an acetonitrile.', 'The molecule is a fluoroalkane that is hexane in which all of the hydrogens have been replaced by fluorines. It has a role as a radioopaque medium and a non-po... | 0 | Its SMILES notation is CC1=CC=CC=C1CC#N. | ChemQA/mol_caption_12 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a NAD(P)(+) and a NADP. It has a role as a fundamental metabolite and a cofactor. It is a conjugate acid of a NADP zwitterion and a NADP(3-).', 'The molecule is that isomer of butenoic acid having the double bond at position C-3. It is a conjugate acid of a but-3-enoate.', 'The molecule is dianion of ... | 3 | Its SMILES notation is CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O. | ChemQA/mol_caption_13 | |
What is the most relevant description of the following organic molecule? | ["The molecule is a flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone.", 'The molecule is a polyprenyl phospho ... | 0 | Its SMILES notation is COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)[O-])O. | ChemQA/mol_caption_14 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#32. It derives from an oscr#32. It is a conjugate acid of an oscr#32-CoA(4-).', 'The molecule is a 3-hydroxyicosanoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate... | 3 | Its SMILES notation is CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)OP(=O)(O)OC[C@@H]5[C@H](C[C@@H](O5)N6C=NC7=C(N=CN=C76)N)OP(=O)(O)OC[C@@H]8[C@H](C[C@@H](O8)N9C=NC1=C(N=CN=C19)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=... | ChemQA/mol_caption_15 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a 1D-myo-inositol bis(diphosphate) tetrakisphosphate having the two diphospho groups located at positions 1 and 5. It derives from a myo-inositol. It is a conjugate acid of a 1,5-bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphate(13-).', 'The molecule is a glutamic semialdehyde arising from form... | 3 | Its SMILES notation is C[C@@H](CCCC(=C)C)CCOC(=O)CC1=CC=CC=C1. | ChemQA/mol_caption_16 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a hydrate of nickel chloride containing nickel (in the +2 oxidation state), chloride and water moeities in the ratio 1:2:6. It has a role as a sensitiser. It contains a nickel dichloride.', 'The molecule is a methoxybenzoic acid substituted with a methoxy group at position C-4. It has a role as a plan... | 0 | Its SMILES notation is O.O.O.O.O.O.[Cl-].[Cl-].[Ni+2]. | ChemQA/mol_caption_17 | |
What is the most relevant description of the following organic molecule? | ["The molecule is a diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 3' and 5. It has a role as a plant metabolite. It is a member of resorcinols, a polyphenol and a diphenylethane. It derives from a hydride of a 1,2-dihydrostilbene.", 'The molecule is a fatty alcohol consisting ... | 1 | Its SMILES notation is CCCCCCCCCO. | ChemQA/mol_caption_18 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a carbohydrate sulfate that is 2-acetamido-6-O-sulfo-D-galactopyranose in which the hydroxy group at position 3 has been converted into the corresponding beta-D-glucopyranuronoside. It is an amino disaccharide, a carbohydrate acid derivative, a member of acetamides and an oligosaccharide sulfate.', 'T... | 1 | Its SMILES notation is CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C. | ChemQA/mol_caption_19 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a ginsenoside found in Panax ginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions and in which the hydroxy group at position 20 has been converted to the corresponding beta-D-xylopyranosyl-beta-D-glucopyranoside. It has a role as an antineoplasti... | 3 | Its SMILES notation is CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)C2=C(C=C(C=C2C)C)C. | ChemQA/mol_caption_20 | |
What is the most relevant description of the following organic molecule? | ['The molecule is the cis-isomer of caffeic acid. It has a role as a plant metabolite and a human xenobiotic metabolite. It is a conjugate acid of a cis-caffeate.', 'The molecule is a naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether. It has a role as a dermatologic... | 3 | Its SMILES notation is CC/C=C\\C/C=C\\C/C=C\\C=C\\C(C/C=C\\C/C=C\\CCC(=O)O)OO. | ChemQA/mol_caption_21 | |
What is the most relevant description of the following organic molecule? | ['The molecule is the monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of 1-methyl-N-phenylpiperidin-4-amine with propanoic acid. It is a member of piperidines and a monocarboxylic acid amide.', 'The molecule is a 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoate that is the conj... | 0 | Its SMILES notation is CCC(=O)N(C1CCN(CC1)C)C2=CC=CC=C2. | ChemQA/mol_caption_22 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a branched-chain saturated fatty acid consisting of tridecanoic acid carrying a 12-methyl group. It is a long-chain fatty acid and a branched-chain saturated fatty acid. It is a conjugate acid of an isomyristate.', 'The molecule is a 2-hydroxydicarboxylic acid that is succinic acid in which one of the... | 1 | Its SMILES notation is C(C(C(=O)O)O)C(=O)O. | ChemQA/mol_caption_23 | |
What is the most relevant description of the following organic molecule? | ['The molecule is the iodide salt of ecothiopate. An irreversible acetylcholinesterase inhibitor, it is used an ocular antihypertensive in the treatment of open-angle glaucoma, particularly when other drugs have proved inadequate. It has a role as an antiglaucoma drug, an EC 3.1.1.8 (cholinesterase) inhibitor and a mio... | 2 | Its SMILES notation is CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)O)N)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@... | ChemQA/mol_caption_24 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a hydrate that is the trihydrate form of scopolamine hydrobromide. It has a role as a mydriatic agent, a muscarinic antagonist, an anaesthesia adjuvant, an antispasmodic drug and an antiemetic. It contains a scopolamine hydrobromide (anhydrous).', 'The molecule is a mannooligosaccharide derivative con... | 0 | Its SMILES notation is CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.O.O.O.Br. | ChemQA/mol_caption_25 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a D-tagatose 6-phosphate that is in the open-chain keto-form. It derives from a keto-D-tagatose. It is a conjugate acid of a keto-D-tagatose 6-phosphate(2-). It is an enantiomer of a keto-L-tagatose 6-phosphate.', "The molecule is an amidoalkyl phosphate that is the 4-phosphate derivative of (R)-panto... | 2 | Its SMILES notation is C(=O)([O-])P(=O)(O)[O-]. | ChemQA/mol_caption_26 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a member of the class of piperidines that is the 4-acetyl-2-methoxyphenyl ether of 3-(piperidin-1-yl)propan-1-ol which is substituted at position 4 of the piperidine ring by a 6-fluoro-1,2-benzoxazol-3-yl group. A member of the group of second generation antipsychotics (also known as an atypical antip... | 3 | Its SMILES notation is C1=CC=C(C=C1)NC2=CC=CC=C2. | ChemQA/mol_caption_27 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a tetrol that is cyclohexene in which a hydrogen attached to each of the carbons at positions 3, 4, 5, and 6 is replaced by a hydroxy group. The group consists of six possible diastereoisomers, known as conduritols A to F, some of which can exist as two distinct enantiomers. It is a tetrol, a secondar... | 1 | Its SMILES notation is CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+]. | ChemQA/mol_caption_28 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of octanol. It has a role as a human xenobiotic metabolite. It derives from an octan-1-ol.', 'The molecule is an (omega-1)-hydroxy fatty acid that is (2E)-oct-2-enoic acid in ... | 2 | Its SMILES notation is C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(C[C@H]([C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O)C)O)C)C. | ChemQA/mol_caption_29 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a delta-lactam that is piperidine-2-carboxylic acid substituted at position 6 by an oxo group. It has a role as a bacterial metabolite. It is a delta-lactam and a monocarboxylic acid. It is a conjugate acid of a 6-ketopiperidine-2-carboxylate.', "The molecule is an acyclic carotene that is lycopene in... | 2 | Its SMILES notation is C1=NC2=C(N1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N. | ChemQA/mol_caption_30 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an amino trisaccharide that consists of a galactose residue attached by a beta-(1->3)-linkage to an N-acetylglucosamine residue, that is in turn attached to a second galactose by a beta-(1->6)-linkage. It is an amino trisaccharide and a glucosamine oligosaccharide.', 'The molecule is the pteridine tha... | 2 | Its SMILES notation is C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H]([C@@H](O[C@H]2O[C@H]3[C@@H]([C@H](OC([C@@H]3NC(=O)C)O)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)C)O)O)O)O)O. | ChemQA/mol_caption_31 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis. It has a role as a cyclooxygenase 2 inhibitor and a non-na... | 2 | Its SMILES notation is CC1=CCC(CC1=O)C(=C)C. | ChemQA/mol_caption_32 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a member of the class of tetracenes that is tetracenomycin C in which the methoxy group at position 3 is replaced by a phenolic OH. It has a role as a bacterial metabolite. It is an enol ether, an enone, a triol, a polyphenol, a methyl ester, a tetracenomycin and a tertiary alpha-hydroxy ketone.', "Th... | 0 | Its SMILES notation is CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)O)O)C(=O)OC. | ChemQA/mol_caption_33 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a member of the class of pyrrolidine-2-ones that is pyrrolidin-2-one in which the hydrogen attached to the nitrogen is replaced by a methyl group. It has a role as a polar aprotic solvent. It is a N-alkylpyrrolidine, a lactam and a member of pyrrolidin-2-ones.', 'The molecule is a 1-alkylglycero-3-pho... | 1 | Its SMILES notation is CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)O. | ChemQA/mol_caption_34 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a monomethoxyflavone that is myricetin in which the hydroxy group at position 7 is substituted by a methoxy group. It has a role as a plant metabolite. It is a pentahydroxyflavone and a monomethoxyflavone. It derives from a myricetin.', 'The molecule is an O-acylcarnitine having 15-carboxypentadecanoy... | 0 | Its SMILES notation is COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C(=C3)O)O)O)O. | ChemQA/mol_caption_35 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a beta-D-galactosyl-N-acylsphingosine in which the acyl group is specified as eicosanoyl. It has a role as a mouse metabolite. It derives from an icosanoic acid.', 'The molecule is a ribulose 5-phosphate. It has a role as an Escherichia coli metabolite. It derives from a L-ribulose. It is a conjugate ... | 1 | Its SMILES notation is C([C@@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O. | ChemQA/mol_caption_36 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a polar amino acid zwitterion restulting from the transfer of a proton from the carboxy group to the alpha-amino group of D-histidine. The major species at pH 7.3. It is a tautomer of a D-histidine.', 'The molecule is a glycosylgalactose consisting of beta-D-galactose substituted on O-6 with a beta-D-... | 1 | Its SMILES notation is C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O. | ChemQA/mol_caption_37 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a monounsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of trans-2-pentadecenoyl-CoA; major species at pH 7.3. It is a conjugate base of a trans-2-pentadecenoyl-CoA.', 'The molecule is a pteroate and a member of pteroates. It is a conjugate base of a ... | 3 | Its SMILES notation is C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)([O-])[O-])O)O)O. | ChemQA/mol_caption_38 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a monocarboxylic acid anion that is the conjugate base of 13-(beta-D-glucosyloxy)docosanoic acid, arising from deprotonation of the carboxy group. It derives from a behenate. It is a conjugate base of a 13-(beta-D-glucosyloxy)docosanoic acid.', 'The molecule is a ten-membered synthetic oligopeptide co... | 2 | Its SMILES notation is C[C@]12CC=C3[C@]([C@@H]1C[C@@]4(C(=C)[C@]2(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)([C@@H](CC(=O)C3(C)C)O)C. | ChemQA/mol_caption_39 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a beta-D-glucoside resulting from the formal condensation of the carboxy group of ferulic acid with the anomeric hydroxy group of beta-D-glucose. It has a role as an antioxidant and a plant metabolite. It is a beta-D-glucoside, a cinnamate ester, a member of phenols and an aromatic ether. It derives f... | 0 | Its SMILES notation is COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O. | ChemQA/mol_caption_40 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2,6-dimethylheptanoic acid. It is a multi-methyl-branched fatty acyl-CoA and a medium-chain fatty acyl-CoA. It is a conjugate acid of a 2,6-dimethylheptanoyl-CoA(4-).', 'T... | 2 | Its SMILES notation is C[C@]1(CCC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)O)C=O)C(=O)O. | ChemQA/mol_caption_41 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a ceramide obtained by formal condensation of the carboxy group of icosanoic acid with the amino group of (4E,14Z)-sphinga-4,14-dienine. It has a role as a Papio hamadryas metabolite. It derives from an icosanoic acid.', 'The molecule is a methyl-L-methionine having the methyl group attached to the al... | 0 | Its SMILES notation is CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCC/C=C\\CCC)O. | ChemQA/mol_caption_42 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a polyunsaturated fatty acid anion that is the conjugate base of juvenile hormone I carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a polyunsaturated fatty acid anion and a branched-chain fatty acid anion. It is a conjugate base of a juvenile hormone I a... | 0 | Its SMILES notation is CC/C(=C\\CC/C(=C/C(=O)[O-])/C)/CC[C@@H]1[C@](O1)(C)CC. | ChemQA/mol_caption_43 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a member of the class of hopanoids that is bacteriohopane-31,32,33,34-tetrol carrying additional methyl and amino substituents at positions 3 and 35 respectively. Isolated from Methylococcus capsulatus. It has a role as a bacterial metabolite. It is a hopanoid, a tetrol and a primary amino compound.',... | 0 | Its SMILES notation is C[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@]5(CC[C@@H]([C@@H]5CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)[C@H](C)C[C@H]([C@H]([C@H]([C@H](CN)O)O)O)O)C)C. | ChemQA/mol_caption_44 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a pyrimidine nucleotide-sugar having thymine as the nucleobase and 4-amino-2,3,4,6-tetradeoxy-alpha-D-glucose as the sugar component. It has a role as a bacterial metabolite. It is a conjugate acid of a dTDP-4-ammonio-2,3,4,6-tetradeoxy-alpha-D-glucose(1-).', 'The molecule is an organosulfonate oxoani... | 0 | Its SMILES notation is C[C@@H]1[C@H](CC[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N. | ChemQA/mol_caption_45 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a gallate ester obtained by condensation of the carboxy group of gallic acid with the hydroxy group of octanol. It has a role as a food antioxidant, a plant metabolite and a hypoglycemic agent.', "The molecule is a member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying a... | 1 | Its SMILES notation is CC1=CC(=CC(=C1C2=C(C3=C(C=C2O)OC4=CC(=O)C(=C(C4=N3)C)C5=C(C=C(C=C5C)O)O)C)O)O. | ChemQA/mol_caption_46 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an organosulfur heterocyclic compound that is 1,2,3-trithiane in which one of the hydrogens at position 5 has been replaced by a dimethylamino group. A nicotinic acetylcholine receptor agonist, it was used (particularly as its hydrogen oxalate salt, known as thyocyclam oxalate) as a broad-spectrum ins... | 0 | Its SMILES notation is CN(C)C1CSSSC1. | ChemQA/mol_caption_47 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a 1-alkylglycerone 3-phosphate in which the alkyl group is specified as pentadecyl It is a conjugate acid of a 1-pentadecylglycerone 3-phosphate(2-).', 'The molecule is an oligosaccharide sulfate consisting of 2-O-sulfo-beta-D-glucopyranuronic acid and 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyr... | 1 | Its SMILES notation is C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O. | ChemQA/mol_caption_48 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a piperidinium ion that is benzamide substituted on nitrogen by a 2-hydroxyethyl group and at the 4-position by a [3-(4-carboxybutanamido)-N-methylpiperidinio]methyl group. It has a role as a hapten. It is a piperidinium ion and a quaternary ammonium ion.', "The molecule is a biflavonoid isolated from... | 3 | Its SMILES notation is CC(=O)OCCCC1=CC=CC=C1. | ChemQA/mol_caption_49 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a tetrasaccharide consisting of alpha-D-abequose, alpha-D-mannose, alpha-L-rhamnose and alpha-D-galactose residues linked sequentially (1->3), (1->4) and (1->3); epitope of the O-antigen polysaccharide in Salmonella. It has a role as an epitope.', 'The molecule is a monocarboxylic acid anion that is t... | 2 | Its SMILES notation is C(C(=O)[C@H](C(=O)[O-])O)OP(=O)([O-])[O-]. | ChemQA/mol_caption_50 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of O-formylcefamandole. It is a conjugate base of an O-formylcefamandole.', 'The molecule is an oxylipin that is the 15-hydoxy derivative of (6Z,9Z,12Z,16E,18Z)-tetracosa-6,9,12,16,18-pentaenoic acid. Isolated from soft ... | 1 | Its SMILES notation is CCCCC/C=C\\C=C\\C(C/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O)O. | ChemQA/mol_caption_51 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a dipeptide composed of L-asparagine and L-proline joined by a peptide linkage. It has a role as a metabolite. It derives from a L-asparagine and a L-proline.', 'The molecule is an indanone with an oxo substituent at position 2. It is a metabolite of indane. It has a role as a xenobiotic metabolite.',... | 3 | Its SMILES notation is CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O. | ChemQA/mol_caption_52 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a carboxylic ester obtained by the formal condensation of the benzylic hydroxy group of 4-hydroxy-6-[hydroxy(phenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid with 3-methylbutanoic acid. It is isolated from the culture broth of Penicillium sp. SPF-32629 and acts as an inhibitor of the enzyme ... | 2 | Its SMILES notation is CCCCCCCC(=O)CC. | ChemQA/mol_caption_53 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an ammonium ion resulting from the protonation of the nitrogen atom of iminodiacetate. The major species at pH 7.3. It is an ammonium ion derivative and a dicarboxylic acid dianion. It is a conjugate acid of an iminodiacetate.', 'The molecule is a monocarboxylic acid that is butyric acid in which one ... | 3 | Its SMILES notation is C1=CC(=C(C(=C1Cl)C(=O)O)Cl)Cl. | ChemQA/mol_caption_54 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a kaempferol O-glucoside that is kaempferol attached to a rutinosyl [6-deoxy-alpha-L-mannosyl-(1->6)-beta-D-glucosyl] residue at position 3 via a glycosidic linkage. It has been isolated from the leaves of Solanum campaniforme. It has a role as a metabolite, a radical scavenger and a plant metabolite.... | 1 | Its SMILES notation is C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)O. | ChemQA/mol_caption_55 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a cembrane diterpenoid that is cembra-2E,7E,11Z-trien-20,10-olide substituted by a hydroxy group at position 1 and a methoxy group at position 4. It has been isolated from the leaves of natural product found in Croton gratissimus. It has a role as a metabolite. It is a cembrane diterpenoid, a diterpen... | 2 | Its SMILES notation is C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(CO)CO)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O. | ChemQA/mol_caption_56 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 18 carbons and 0 double bonds and is 2-hydroxylated. It is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine and a 15-methylhexadecaphytosphingosine.', 'The molecule is a dicarboxylic acid that... | 2 | Its SMILES notation is C([C@@H]([C@@H](CS(=O)(=O)O)O)O)C(=O)C(=O)O. | ChemQA/mol_caption_57 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a malonate ester that is diisopropyl malonate in which the two methylene hydrogens at position 2 are replaced by a 1,3-dithiolan-2-ylidene group. An insecticide and fungicide used to control a range of diseases including Pyricularia oryzae, Helminthosporium sigmoideum and Fusarium nivale. It has a rol... | 2 | Its SMILES notation is C([C@H]([C@H]([C@@H](C=O)O)O)O)OP(=O)(O)O. | ChemQA/mol_caption_58 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an (omega-1)-hydroxy fatty acid that is trans-2-tetradecenoic acid in which the 13-pro-R hydrogen is replaced by a hydroxy group. It is a long-chain fatty acid, an (omega-1)-hydroxy fatty acid, an alpha,beta-unsaturated monocarboxylic acid and a hydroxy monounsaturated fatty acid. It derives from a tr... | 1 | Its SMILES notation is CCC/C=C/C=C/C=C/CCC1=CC=C(O1)OC(=O)O. | ChemQA/mol_caption_59 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a primary arylamine that is p-xylene substituted at the 2 and 5 positions by amino groups. It is formally a reduction product of 2,5-dimethyl-1,4-benzoquinonediimine. It has a role as an allergen. It derives from a hydride of a p-xylene.', 'The molecule is an amino disaccharide comprised of 2-acetamid... | 1 | Its SMILES notation is CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)O)CO)CO)O)O. | ChemQA/mol_caption_60 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a linear amino tetrasaccharide consisting of two sialyl, one galactose and one glucose residue (at the reducing end) connected by sequential alpha-(2->8)-, alpha-(2->3)- and beta-(1->4)-linkages.', 'The molecule is a natural product found in Leucosceptrum canum. It has a role as a metabolite, an angio... | 1 | Its SMILES notation is C[C@@H]1CC[C@H]2[C@H]1[C@](C3=CC(O[C@@]3([C@@H]2C)O)(C)C)(C(=O)[C@@H](C)CC[C@@H]4C(=CC(=O)O4)C)O. | ChemQA/mol_caption_61 | |
What is the most relevant description of the following organic molecule? | ['The molecule is the S-enantiomer of 2-hydroxypalmitate. It is a conjugate base of a (S)-2-hydroxyhexadecanoic acid. It is an enantiomer of a (R)-2-hydroxyhexadecanoate.', "The molecule is an organic heterotetracyclic compound that is 7-phenyl-5-imino-5,7-dihydrobenzo[a]phenazine-3-sulfonic acid in which the imino hyd... | 0 | Its SMILES notation is CCCCCCCCCCCCCC[C@@H](C(=O)[O-])O. | ChemQA/mol_caption_62 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a very long-chain primary fatty alcohol that is tetracosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has been isolated from a variety of plants, including grape seeds, evening primrose (Oenothera biennis), pitaya fruits (Hylocereus polyrhizus and H... | 3 | Its SMILES notation is CCCCCCCC/C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O. | ChemQA/mol_caption_63 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a hydrochloride resulting from the reaction of equimolar amounts of sertraline and hydrogen chloride. A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress... | 1 | Its SMILES notation is CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSC[C@H](C(=O)O)N)OC)SC2)C(=O)O. | ChemQA/mol_caption_64 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of N-acetyl-alpha-D-glucosaminyl-1-diphospho-trans,polycis-decaprenol; major species at pH 7.3. It is a conjugate base of a N-acetyl-alpha-D-glucosaminyl-1-diphospho-trans,polycis-decaprenol.', 'The molecule is a cytoto... | 2 | Its SMILES notation is C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\C=C(\\C(=O)O)/C)/C)/C)/C=C/C=C(/C=C/C=C(/C(=O)O)\\C)\\C. | ChemQA/mol_caption_65 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a scalarane sesterterpenoid with formula C26H40O3, originally isolated from the marine sponge Hyrtios erecta. It has a role as a marine metabolite. It is a scalarane sesterterpenoid, an enal and an acetate ester.', 'The molecule is an organophosphate oxoanion arising from deprotonation of the phosphat... | 3 | Its SMILES notation is CCO.C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)[NH+](C)C)O.C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)[NH+](C)C)O.O.[Cl-].[Cl-]. | ChemQA/mol_caption_66 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of gamma-glutamyltyramine It is a tautomer of a gamma-glutamyltyramine.', 'The molecule is a CDP-diacylglycerol in which both phosphatidyl acyl groups are specified as oleoyl. It derives from an oleic... | 2 | Its SMILES notation is COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O. | ChemQA/mol_caption_67 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 2-acyl group is specified as 9Z,12Z-octadecadienoyl (linoleoyl). It is a 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol and a phosphatidylinositol (16:0/18:2). It is a conjugate acid of a 1-hexadecanoyl-2-(9Z,12Z-oct... | 3 | Its SMILES notation is CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\\CCCC(=O)O)OO2)OO. | ChemQA/mol_caption_68 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a 1,3-diglyceride in which the acyl groups at positions 1 and 3 are specified as oleoyl and palmitoyl respectively (the S-stereoisomer). It is a 1-oleoyl-3-palmitoylglycerol and a 1,3-diacyl-sn-glycerol.', 'The molecule is a tetronic acid derivative that is furan-2(5H)-one which is substituted at posi... | 2 | Its SMILES notation is CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C. | ChemQA/mol_caption_69 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-8-oct-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an omega-hyd... | 2 | Its SMILES notation is C[C@H](CCC[C@H](C)C(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C. | ChemQA/mol_caption_70 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a dimeric branched amino tetrasaccharide consisting of 6-O-sulfo-beta-D-glucosyl-(1->3)-N-acetyl-beta-D-galactosamine, having a further 6-O-sulfo-beta-D-glucosyl-(1->3)-N-acetyl-beta-D-galactosaminyl moiety attached at the 6-position of the galactosamine. It is an oligosaccharide sulfate and an amino ... | 3 | Its SMILES notation is CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3. | ChemQA/mol_caption_71 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a butenolide that is furan-2(5H)-one substituted by a 4-hydroxybenzyl group at position 4 and a 4-hydroxyphenyl group at position 3. It has been isolated from Penicillium species. It has a role as a Penicillium metabolite. It is a polyphenol and a butenolide.', 'The molecule is a L-arginine derivative... | 1 | Its SMILES notation is CN=C(N)NCCC[C@@H](C(=O)O)N. | ChemQA/mol_caption_72 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-epicatechin. It has a role as a metabolite. It is a catechin, a gallate ester and a polyphenol. It derives from a gallic acid and a (+)-epicatechin.', 'The molecule is a N-acylpyrroli... | 3 | Its SMILES notation is COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC. | ChemQA/mol_caption_73 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a nucleoside analogue that is adenosine in which the nitrogen at position 7 is replaced by a carbamoyl-substituted carbon. It is a potent inhibitor of protein kinase C. It has a role as a protein kinase inhibitor. It derives from an adenosine.', 'The molecule is a carbamate ester obtained by the forma... | 3 | Its SMILES notation is C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C. | ChemQA/mol_caption_74 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an organic sodium salt which is the monosodium salt of callysponginol sulfonic acid A. It is isolated from the marine sponge Callyspongia truncata as a membrane type 1 matrix metalloproteinase (MT1-MMP) inhibitor. It has a role as a metabolite and a matrix metalloproteinase inhibitor. It contains a ca... | 0 | Its SMILES notation is CCCCCC/C=C\\CCCCCCCCCCCCC#C[C@H](C(=O)O)OS(=O)(=O)[O-].[Na+]. | ChemQA/mol_caption_75 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a member of the class of cyclohexadienes that is cyclohexa-1,3-diene substituted by a 3-oxobutyl group at position 1 and by methyl groups at positions 2 and 6. It has a role as a human urinary metabolite and a flavouring agent. It is a cyclohexadiene and a methyl ketone.', 'The molecule is an enone th... | 1 | Its SMILES notation is CCC(=O)/C=C/C=C/C(=C/C=C/C=C/C1=CC=CC=C1)/C. | ChemQA/mol_caption_76 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an anthracycline antibiotic that is 13-deoxydaunorubicin substituted at position 10 by a carboxy group. It is an aminoglycoside, an anthracycline antibiotic, a deoxy hexoside, a monosaccharide derivative, a hydroxy monocarboxylic acid and a member of p-quinones. It derives from a daunorubicin. It is a... | 2 | Its SMILES notation is CCCCCC(C(C/C=C\\CCCCCCCC(=O)[O-])O)O. | ChemQA/mol_caption_77 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an optically active form of prolinate having D-configuration. It has a role as a human metabolite. It is a conjugate base of a D-proline. It is an enantiomer of a L-prolinate.', 'The molecule is a 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as icosanoyl. It is a 1-O-acyl-... | 1 | Its SMILES notation is CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O. | ChemQA/mol_caption_78 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an O-acylcarnitine having palmitoyl (hexadecanoyl) as the acyl substituent. It has a role as a metabolite. It derives from a hexadecanoic acid.', 'The molecule is an alpha-amino acid that is butanoic acid substituted by an amino group at position 2 and a hydroxy group at position 3. It has a role as a... | 2 | Its SMILES notation is CCCCC/C=C\\C/C=C\\CCCCCCCCCCCC(=O)[O-]. | ChemQA/mol_caption_79 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a hydroxy fatty acid anion obtained by deprotonation of the carboxy group of 9(S)-HODE; major species at pH 7.3. It is a hydroxy fatty acid anion, a polyunsaturated fatty acid anion, an octadecanoid anion and a HODE(1-). It is a conjugate base of a 9(S)-HODE. It is an enantiomer of a 9(R)-HODE(1-).', ... | 3 | Its SMILES notation is CC[NH3+].[N+](=O)([O-])[O-]. | ChemQA/mol_caption_80 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an amino tetrasaccharide consisting of 2-acetamido-beta-D-galactopyranosyl, alpha-D-galactopyranosyl, beta-D-galactopyranosyl and beta-D-glucopyranosyl residues joined in sequence by (1->3) glycosidic bonds. It is an amino tetrasaccharide and a member of acetamides.', 'The molecule is a quassinoid tha... | 3 | Its SMILES notation is C[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21. | ChemQA/mol_caption_81 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-oct-2-enoic acid. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a medium-chain fatty acyl-CoA, a trans-2-enoyl-Co... | 0 | Its SMILES notation is CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O. | ChemQA/mol_caption_82 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant. It has a role as an anticonvulsant, an EC 3.5.1.98 (histone deacetylase) inhibitor, a mitogen, a glutamate transporter activator, an antimanic drug, an analgesic, a non-... | 1 | Its SMILES notation is CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCC(C)C)O. | ChemQA/mol_caption_83 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a carotenol having the structure of rhodopin with two hydrogen atoms abstracted from the C(3)-C(4) bond to form an extra trans double bond. It has a role as a bacterial metabolite. It is a carotenol and a tertiary alcohol. It derives from a rhodopin.', 'The molecule is a 3beta-hydroxy-4beta-formyl-4al... | 3 | Its SMILES notation is C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C(C(=C(C=C24)Br)[O-])[Hg])Br)C(=O)[O-].O.[Na+].[Na+]. | ChemQA/mol_caption_84 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a pyrrolopyrazine that is hexahydropyrrolo[1,2-a]pyrazine-1,4-dione substituted by a hydroxy group at position 6 and a 2-methylpropyl group at position 3. It has been isolated from the mycelia of Cordyceps sinensis. It has a role as a fungal metabolite. It is a pyrrolopyrazine and a dipeptide.', 'The ... | 2 | Its SMILES notation is CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O. | ChemQA/mol_caption_85 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a pentacyclic triterpenoid that is olean-18-ene substituted at position 3 by an oxo group and position 28 by a carboxy group. It has a role as a metabolite, an anti-HSV-1 agent and an anti-HIV agent. It derives from a hydride of an oleanane.', 'The molecule is an organophosphate oxoanion obtained by d... | 0 | Its SMILES notation is C[C@@]12CC[C@]3(CCC(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. | ChemQA/mol_caption_86 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a quercetin O-glucoside that is quercetin attached to a beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside residue at position 3 via a glycosidic linkage. It has a role as a plant metabolite. It is a quercetin O-glucoside, a tetrahydroxyflavon... | 3 | Its SMILES notation is C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O. | ChemQA/mol_caption_87 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position. It has a role as an antimalarial, a non-steroidal anti-inflammatory drug, a drug allergen, a prodrug, an EC 2.1.1.8 (histamine N-methyltransferase) inhibitor and an anticoronaviral agent. It is a member of p... | 1 | Its SMILES notation is CCCCC[C@@H](/C=C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C)O. | ChemQA/mol_caption_88 | |
What is the most relevant description of the following organic molecule? | ["The molecule is the doubly positive charged ammonium ion obtained from protonation of the four amino groups and deprotonation of the phosphate OH groups of kanamycin A 3'-phosphate; major species at pH 7.3. It is a conjugate acid of a kanamycin A 3'-phosphate.", 'The molecule is a dicarboxylic acid dianion and a hydr... | 3 | Its SMILES notation is C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)NC(=O)CO)O)O)OP(=O)(O)O. | ChemQA/mol_caption_89 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an O-acylcarnitine having (7Z,10Z,13Z,16Z)-docosatetraenoyl as the acyl substituent. It has a role as a metabolite. It derives from a carnitine.', 'The molecule is tetraanion of methacrylyl-CoA arising from deprotonation of the phosphate and diphosphate functions; principal microspecies at pH 7.3. It ... | 0 | Its SMILES notation is CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C. | ChemQA/mol_caption_90 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an O-acylcarnitine having 3-hydroxyeicosanoyl as the acyl substituent. It has a role as a metabolite. It is an O-acylcarnitine, an ammonium betaine and a carboxylic ester. It derives from a carnitine.', 'The molecule is an unsaturated fatty acid, a carbocyclic fatty acid and an oxo carboxylic acid. It... | 3 | Its SMILES notation is C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O. | ChemQA/mol_caption_91 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a fatty acid ester that is the ethyl ester of 3-hydroxyhexanoic acid. It derives from a 3-hydroxyhexanoic acid.', "The molecule is a cyclic purine dinucleotide that consists of AMP and GMP units cyclised via 3',5'-linkages. It is an adenyl ribonucleotide, a cyclic purine dinucleotide and a guanyl ribo... | 3 | Its SMILES notation is CN1C=[N+](C2=C1C(=O)NC(=N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O. | ChemQA/mol_caption_92 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a fifteen-membered glycopeptide comprising glycyl, cyclohexylglycyl, alanyl, glycyl, 3-methylphenylalanyl, (5R)-5-(beta-D-galactopyranosyloxy)lysyl, glycyl. alpha-glutamyl, glutaminyl, glycyl, prolyl, lysyl, glycyl, alpha-glutamyl and threonine residues coupled in sequence.', 'The molecule is the trih... | 2 | Its SMILES notation is C1=CC(=CC=C1C(=N)N)OCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O. | ChemQA/mol_caption_93 | |
What is the most relevant description of the following organic molecule? | ['The molecule is dianion of (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate arising from deprotonation of both phosphate OH groups. It is a conjugate base of a (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate.', 'The molecule is the aromatic diazonium ion that is diazotised 2-aminobenzenesulfonic acid. It has a role as a hap... | 3 | Its SMILES notation is C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO.C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO.OS(=O)(=O)O. | ChemQA/mol_caption_94 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group. It is an alpha-amino-acid anion and an aromatic amino-acid anion. It is a conjugate base of a phenylalanine.', 'The molecule is a phosphatidylcholine 40:1 in which the acyl groups... | 1 | Its SMILES notation is CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\\CCCCCCCC. | ChemQA/mol_caption_95 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an organic heterotetracyclic compound and 19-membered macrocyclic lactam antibiotic originally isolated from the Ethiopian shrub Maytenus serrata but also found in other Maytenus species. It exhibits cytotoxicity against many tumour cell lines. It has a role as a plant metabolite, an antimicrobial age... | 2 | Its SMILES notation is CCCOC(=O)C. | ChemQA/mol_caption_96 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an aldehyde that is thiphene substituted by a formyl group at position 2. It has a role as a metabolite. It is a member of thiophenes and an aldehyde.', 'The molecule is a phosphate salt obtained by reacting 3,4-dimethyl-1H-pyrazole with one equivalent of phosphoric acid. It is a nitrification inhibit... | 2 | Its SMILES notation is CCC(C)C(C(=O)[O-])O. | ChemQA/mol_caption_97 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a cyclic hydroxamic acid that consists of 1,4-benzoxazine bearing three hydroxy substituents at positions 2, 4 and 7 as well as an oxo group at position 3. It is a benzoxazine, a cyclic hydroxamic acid and a lactol.', 'The molecule is an N-acetyl-beta-D-glucosaminide in which the anomeric hydroxy hydr... | 3 | Its SMILES notation is CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl. | ChemQA/mol_caption_98 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a sialotriaosylceramide that is ganglioside GM2 (18:0) in which the carboxy function of the sialic acid residue has been converted into a carboxamide. It is a sialotriaosylceramide and a dicarboxylic acid diamide. It derives from a ganglioside GM2 (18:0).', 'The molecule is a polyprenol triphosphate w... | 0 | Its SMILES notation is CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)N)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O. | ChemQA/mol_caption_99 |
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