guojianz/MolReasoner huggingface dataset:
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a tetrahydromethanopterin having a methanylylidene joined to the nitrogens at the 5- and 10-positions. It is a conjugate acid of a 5,10-(methanylylidene)tetrahydromethanopterin(2-).

[C][C@@H1][N][C][N][=C][Branch1][C][N][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][N+1][=C][N][Branch2][=Branch1][Ring2][C][=C][C][=C][Branch2][Branch1][Branch2][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][C@H1][O][C@H1][Branch2][Ring1][#Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][C][=C][Ring2][Ring2][Branch1][C@H1][Branch1][C][C][C@@H1][Ring2][Branch1][Branch1][Ring2][Ring2][O]

SMILES: CC1Nc2nc(N)[nH]c(=O)c2[N+]2=CN(c3ccc(CC(O)C(O)C(O)COC4OC(COP(=O)(O)OC(CCC(=O)O)C(=O)O)C(O)C4O)cc3)C(C)C12
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is an amino disaccharide consisting of alpha-D-glucofuranosyl and 2-acetamido-2-deoxy-beta-D-glucopyranose residues joined in sequence by a (1->3) glycosidic bond. It is an amino disaccharide and a member of acetamides. It derives from an alpha-D-galactofuranose and a N-acetyl-beta-D-glucosamine.

[C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@@H1][Branch1][#Branch1][C@H1][Branch1][C][O][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring2][Ring1][Branch1][O]

SMILES: CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(C(O)CO)C(O)C1O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is an organosulfonate oxoanion and 2-oxo monocarboxylic acid anion that is obtained from 3-sulfopyruvic acid by deprotonation of the carboxylic acid and sulfonic acid groups; major species at pH 7.3. It has a role as a human metabolite. It is a 2-oxo monocarboxylic acid anion and an alkanesulfonate oxoanion. It is a conjugate base of a 3-sulfopyruvic acid.

[O][=C][Branch1][C][O-1][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1]

SMILES: O=C([O-])C(=O)CS(=O)(=O)[O-]
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a member of the class of pyrazines that is amiloride in which the primary amino group adjacent to the chloro substiuent has been substituted by a methyl group and a propyl group. It has a role as a sodium channel blocker. It is a member of pyrazines, a member of guanidines, an organochlorine compound, a tertiary amino compound and a primary amino compound. It derives from an amiloride.

[C][C][C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=C][Branch1][O][C][=Branch1][C][=O][N][=C][Branch1][C][N][N][N][=C][Ring1][=N][Cl]

SMILES: CCCN(C)c1nc(N)c(C(=O)N=C(N)N)nc1Cl
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is an aldoxime resulting from the formal condensation of the aldehyde moiety of indol-3-ylacetaldehyde with hydroxylamine. It is a member of indoles and an aldoxime.

[O][N][=C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]

SMILES: ON=CCc1c[nH]c2ccccc12
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a methylbutanoyl-CoA is the S-isovaleryl derivative of coenzyme A. It has a role as a mouse metabolite. It derives from an isovaleric acid and a butyryl-CoA. It is a conjugate acid of an isovaleryl-CoA(4-).

[C][C][Branch1][C][C][C][C][=Branch1][C][=O][S][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Ring1][S][O][P][=Branch1][C][=O][Branch1][C][O][O]

SMILES: CC(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a 1,2-diacyl-sn-glycerol that has lauroyl and oleoyl as 1- and 2-acyl groups respectively. It is a 1,2-diacyl-sn-glycerol, a 1-lauroyl-2-oleoylglycerol and a dodecanoate ester. It is an enantiomer of a 3-lauroyl-2-oleoyl-sn-glycerol.

[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][Ring1][C][O][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C]

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCC
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a peptide anion that is the conjugate base of gamma-Glu-Abu, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3. It is a conjugate base of a gamma-Glu-Abu.

[C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][Branch1][C][NH3+1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1]

SMILES: CCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)[O-]
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4. It has a role as an agrochemical, an acaricide, an EC 3.1.1.8 (cholinesterase) inhibitor, a nematicide, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a xenobiotic and an environmental contaminant. It is an organic thiophosphate and a member of pyrimidines. It derives from a 2-isopropyl-6-methylpyrimidin-4-ol.

[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][=C][C][Branch1][C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][#Branch2]

SMILES: CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is trianion of 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole arising from deprotonation of phosphate and carbamic acid functions. It is a conjugate base of a 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole.

[O][=C][Branch1][C][O-1][N][C][=C][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][C@@H1][Branch1][C][O][C@H1][Ring1][N][O]

SMILES: O=C([O-])Nc1cncn1C1OC(COP(=O)([O-])[O-])C(O)C1O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a piperidinecarboxylate ester that is methyl piperidine-4-carboxylate in which the hydrogen attached to the nitrogen is substituted by a 3-methoxy-3-oxopropyl group and the hydrogen at position 4 is substituted the nitrogen of N-propanoylaniline. It has a role as a mu-opioid receptor agonist, an opioid analgesic, an intravenous anaesthetic and a sedative. It is an anilide, a piperidinecarboxylate ester, a monocarboxylic acid amide and an alpha-amino acid ester.

[C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][N][Branch1][=Branch2][C][C][C][=Branch1][C][=O][O][C][C][C][Ring1][S]

SMILES: CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a member of the class of dibenzofurans that is dibenzo[b,d]furan substituted by a chloro group at position 7 and a hydroxy group at position 2. It is a member of dibenzofurans, a member of phenols and an organochlorine compound. It derives from a hydride of a dibenzofuran.

[O][C][=C][C][=C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=C][Ring1][=C]

SMILES: Oc1ccc2oc3cc(Cl)ccc3c2c1
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a very long-chain omega-6 fatty acid that is hexatriacontanoic acid having five double bonds located at positions 18, 21, 24, 27 and 30 (the 18Z,21Z,24Z,27Z,30Z-isomer). It is a hexatriacontapentaenoic acid and an omega-6 fatty acid. It is a conjugate acid of a (18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoate.

[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]

SMILES: CCCCCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCCCCCC(=O)O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a nicotinamide dinucleotide that is NADP(+) in which the anomeric centre of the ribosyldihydronicotinamide moiety has alpha- rather than beta-configuration. It is a conjugate acid of an alpha-NADP(3-).

[N][C][=Branch1][C][=O][C][=C][C][=C][N+1][Branch2][=Branch1][=Branch2][C@H1][O][C@H1][Branch2][Branch1][#Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Ring2][Ring1][Ring2][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch1][O][=C][Ring2][Ring2][=N]

SMILES: NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is the (R)-enantiomer of 3,3-dimethylmalic acid. It derives from a succinic acid. It is a conjugate acid of a (R)-3,3-dimethylmalate(2-).

[C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O]

SMILES: CC(C)(C(=O)O)C(O)C(=O)O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a pentacyclic triterpenoid isolated from Kadsura philippinensis, and has been shown to exhibit anti-HBV activity. It has a role as a metabolite and an anti-HBV agent. It is a pentacyclic triterpenoid, a terpene lactone, a delta-lactone and a tertiary alcohol.

[C][C][=C][C][C@H1][Branch2][Branch1][Ring2][C@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C@@][Ring1][#Branch2][C][C@@][Ring1][#C][Ring1][Ring1][C][C][C@][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2][C][O][C][Ring2][Ring1][P][=O]

SMILES: CC1=CCC(C(C)(O)C2CCC3(C)C4CCC5C(C)(C)OC(=O)C=CC56CC46CCC23C)OC1=O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a heteropentacyclic compound found in Euphorbia poissonii with molecular formula C36H38O8. It is an agonist of the transient receptor potential cation channel subfamily V member 1 (TrpV1). It has a role as a plant metabolite, a neurotoxin and a TRPV1 agonist. It is a diterpenoid, an ortho ester, an organic heteropentacyclic compound, an enone, a member of phenols, a carboxylic ester and a tertiary alpha-hydroxy ketone.

[C][=C][Branch1][C][C][C@][C][C@@H1][Branch1][C][C][C@@][O][C@][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Branch1][Ring1][O][C@@H1][Ring1][S][C@@H1][Ring1][=N][C][=C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C@][Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][C@@H1][Ring2][Ring2][Ring2][Ring1][Branch2][O][Ring2][Ring2][=Branch2]

SMILES: C=C(C)C12CC(C)C34OC(Cc5ccccc5)(OC1C3C=C(COC(=O)Cc1ccc(O)cc1)CC1(O)C(=O)C(C)=CC14)O2
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a triterpenoid saponin that is a tetrasaccharide derivative of 3,12,17,24-tetrahydroxy-18,20-epoxylanost-9(11)-en-18-one. It is a heterocyclyl sulfate, a tetrasaccharide derivative and a triterpenoid saponin. It is a conjugate acid of a holothurin A4(1-). It derives from a hydride of a lanostane.

[C][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][#Branch2][=Branch2][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][=Branch2][Ring2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][#Branch1][S][O][C@H1][C@H1][Branch2][=Branch1][#Branch1][O][C@H1][C][C][C@][Branch1][C][C][C][=C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][C@@][Branch1][C][C][Branch1][N][C][C][C][Branch1][C][O][C][Branch1][C][C][C][C@@][Ring1][=C][Branch1][C][O][C][C][C@@][Ring2][Ring1][C][Branch1][C][C][C@@H1][Ring2][Ring1][Branch2][C][C][C@H1][Ring2][Ring1][=N][C][Ring2][Ring1][P][Branch1][C][C][C][O][C][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Ring2][Ring2][#C][O][O][C@@H1][Ring2][Branch1][=Branch2][C][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][=Branch1][Ring2][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][=Branch1][#C][O]

SMILES: COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CC(O)C89C(=O)OC(C)(CCC(O)C(C)C)C8(O)CCC9(C)C7CCC6C5(C)C)OCC(OS(=O)(=O)O)C4O)C(O)C3O)C2O)C1O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a siderophore composed from L-2,3-diaminopropionic acid, citric acid, 1,2-diaminoethane and alpha-ketoglutaric acid units. It has a role as a siderophore and a bacterial metabolite. It is a tertiary alcohol, a tricarboxylic acid amide, an oxo carboxylic acid and a tricarboxylic acid. It derives from a citric acid. It is a conjugate acid of a staphyloferrin B(2-).

[N][C@@H1][Branch2][Ring2][N][C][N][C][=Branch1][C][=O][C][C@@][Branch1][C][O][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

SMILES: NC(CNC(=O)CC(O)(CC(=O)NCCNC(=O)CCC(=O)C(=O)O)C(=O)O)C(=O)O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a bisammonium salt of a titanium coordination entity in which the titanium central atom is coordinated to two 2-methyl-3-oxobutane-1,4-diyl bidentate ligands and two hydroxy groups. It is a titanium coordination entity and an ammonium salt.

[O].[O].[CH2-1][C][=Branch1][C][=O][C][Branch1][C][CH2-1][C].[CH2-1][C][=Branch1][C][=O][C][Branch1][C][CH2-1][C].[NH4+1].[NH4+1].[Ti+2]

SMILES: O.O.[CH2-]C(=O)C([CH2-])C.[CH2-]C(=O)C([CH2-])C.[NH4+].[NH4+].[Ti+2]
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a hydrate that is the heptahydrate form of disodium hydrogen arsenate. It has a role as a poison. It contains a disodium hydrogenarsenate.

[O].[O].[O].[O].[O].[O].[O].[O][=As][Branch1][C][O-1][Branch1][C][O-1][O].[Na+1].[Na+1]

SMILES: O.O.O.O.O.O.O.O=[As]([O-])([O-])O.[Na+].[Na+]
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7 and 4' and prenyl groups at positions 3' and 5' respectively. It has a role as a metabolite. It is a member of phenols, a trihydroxyflavanone and a member of 4'-hydroxyflavanones.

[C][C][Branch1][C][C][=C][C][C][=C][C][Branch2][Ring1][Branch2][C@@H1][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][Ring1][=N][=C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Ring2][Ring1][Branch2][O]

SMILES: CC(C)=CCc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc(CC=C(C)C)c1O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is an alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation. It has a role as a Saccharomyces cerevisiae metabolite and an Escherichia coli metabolite.

[C][C][=Branch1][C][=O][C][Branch1][C][C][=O]

SMILES: CC(=O)C(C)=O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is an Fe(III)-complexed hydroxamate siderophore with formula C33H51FeN6O12 that is secreted by several fungi and bacteria. It is a Fe(III)-complexed hydroxamate siderophore and a homoallylic alcohol. It contains a desferricoprogen B(3-).

[C][/C][=Branch2][=Branch1][O][=C][\C][=Branch1][C][=O][N][Branch1][C][O-1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring2][#C][C][C][C][N][Branch1][C][O-1][C][=Branch1][C][=O][/C][=C][Branch1][C][\C][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][N][Branch1][C][O-1][C][=Branch1][C][=O][/C][=C][Branch1][C][\C][C][C][O][N][C][Ring2][Ring2][Branch1][=O][C][C][O].[Fe+3]

SMILES: CC(=CC(=O)N([O-])CCCC(N)C(=O)OCCC(C)=CC(=O)N([O-])CCCC1NC(=O)C(CCCN([O-])C(=O)C=C(C)CCO)NC1=O)CCO.[Fe+3]
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is an N-sulfonylurea that is urea in which a nitrogen attached to one of the nitrogens has been replaced by a 4,6-dipyrimidin-2-yl group while a hydrogen attached to the other urea nitrogen has been replaced by a [1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazol-5-yl]sulfonyl group. An acetolactate synthase inhibitor, it is used as a herbicide for the control of a variety of broad-leaved and sedge weeds in paddy fields and other aquatic situations. It has a role as a herbicide and an EC 2.2.1.6 (acetolactate synthase) inhibitor. It is an aromatic ether, a biaryl, a N-sulfonylurea, a member of tetrazoles and a pyrazole pesticide.

[C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][O][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=N][N][Ring1][O][C][=N][Ring2][Ring1][O]

SMILES: COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1