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 an aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla. It has a role as a plant metabolite.

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

SMILES: c1ccc(Oc2ccccc2)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 16alpha-hydroxy steroid, a 17-oxo steroid, an androstanoid, a 3beta-hydroxy-Delta(5)-steroid and a secondary alpha-hydroxy ketone. It has a role as a human metabolite and a mouse metabolite.

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

SMILES: CC12CCC3C(CC=C4CC(O)CCC43C)C1CC(O)C2=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 very long-chain fatty acid that is lignoceric acid bearing an (R)-2-hydroxy substituent. It is a 2-hydroxy fatty acid and a very long-chain fatty acid. It derives from a tetracosanoic acid. It is a conjugate acid of a (R)-2-hydroxylignocerate.

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

SMILES: CCCCCCCCCCCCCCCCCCCCCCC(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 methylbenzoic acid carrying a methyl substituent at position 3. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a m-toluate.

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

SMILES: Cc1cccc(C(=O)O)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 a gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group. It is a gamma-lactone and a member of 2-benzofurans.

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

SMILES: O=C1OCc2ccccc21
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 fifteen-membered glycopeptide comprising glycyl, cyclopropylalanyl, alanyl, glycyl, cyclohexylalanyl, (5R)-5-(beta-D-galactopyranosyloxy)lysyl, glycyl. alpha-glutamyl, glutaminyl, glycyl, prolyl, lysyl, glycyl, alpha-glutamyl and threonine residues coupled in sequence.

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

SMILES: CC(NC(=O)C(CC1CC1)NC(=O)CN)C(=O)NCC(=O)NC(CC1CCCCC1)C(=O)NC(CCC(CN)OC1OC(CO)C(O)C(O)C1O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(C(=O)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 the D-enantiomer of aspartic acid. It has a role as a mouse metabolite. It is an aspartic acid and a D-alpha-amino acid. It is a conjugate acid of a D-aspartate(1-). It is an enantiomer of a L-aspartic acid.

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

SMILES: NC(CC(=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 validamycins that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which the hydroxy group at position 1 has been converted to its beta-D-glucoside and in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. It is the major validamycin produced by Streptomyces hygroscopicus. It has a role as an EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor, an EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor, an EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor and an antifungal agrochemical. It is a member of validamycins, a secondary amino compound, a polyol and an antibiotic fungicide. It is a conjugate base of a validamycin A(1+).

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

SMILES: OCC1=CC(NC2CC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(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 an N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as octanoyl; major species at pH 7.3. It is a conjugate base of a N-octanoylsphingosine 1-phosphate.

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

SMILES: CCCCCCCCCCCCCC=CC(O)C(COP(=O)([O-])[O-])NC(=O)CCCCCCC
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 lignan that consists of 1,2,3,4-tetrahydronaphthalene substituted by a hydroxy group at position 7, hydroxymethyl groups at positions 2 and 3, a methoxy group at position 6 and a 3,4-dihydroxyphenyl group at position 1. It has been isolated from Taxus yunnanensis. It has a role as a plant metabolite. It is a lignan, a pentol, a polyphenol and a primary alcohol.

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

SMILES: COc1cc2c(cc1O)C(c1ccc(O)c(O)c1)C(CO)C(CO)C2
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 branched pentasaccharide consisting of alpha-L-rhamnose, beta-D-glucose and two alpha-D-glucose residues in (1->3), (1->4) and (1->2) sequence, to the non-reducing-end glucose residue of which is also linked (1->3) an alpha-L-rhamnose residue.

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

SMILES: CC1OC(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(O)OC(CO)C(O)C4O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(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 conjugate base of N-formimidoyl-L-glutamic acid having both carboxy groups in anionic form and the imine nitrogen protonated. It is an alpha-amino-acid anion and a dicarboxylic acid anion. It is a conjugate base of a N-formimidoyl-L-glutamic acid.

[N][C][=NH1+1][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1]

SMILES: NC=[NH+]C(CCC(=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 an oxysterol that is cholesterol which is substituted by hydroxy groups at positions 24S and 27 and has S-configuration at position 25. It has a role as a human xenobiotic metabolite. It is an oxysterol, a cholestanoid, a 3beta-sterol, a 24-hydroxy steroid, a 26-hydroxy steroid and a 3beta-hydroxy-Delta(5)-steroid.

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

SMILES: CC(CO)C(O)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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 cyclodepsipeptide that is isolated from the previously unculturable bacterial species Eleftheria terrae and is active against gram-positive bacteria. It has a role as an antibacterial agent. It is a peptide antibiotic, a cyclodepsipeptide and a macrocycle.

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

SMILES: CCC(C)C(NC(=O)C(Cc1ccccc1)NC)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(C(=O)NC(CO)C(=O)NC1C(=O)NC(C)C(=O)NC(CC2CN=C(N)N2)C(=O)NC(C(C)CC)C(=O)OC1C)C(C)CC)C(C)CC
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 unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoic acid. It is an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It is a conjugate acid of a (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4-).

[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][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: CCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCCC(=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 an inorganic chloride consisting of two chlorine atoms covalently bound to a central lead atom. It is a lead coordination entity and an inorganic chloride.

[Cl][Pb][Cl]

SMILES: [Cl][Pb][Cl]
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 N-(2-carboxybenzenesulfonyl)urea bearing additional methyl and 4-methoxy-6-methyl-1,3,5-triazin-2-yl substituents at position N3. A foliar acting, post-emergence herbicide used to control broad-leaved weeds in cereals, normally used as the methyl variant. It has a role as a herbicide. It is a N-sulfonylurea, a methoxy-1,3,5-triazine and a member of benzoic acids.

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

SMILES: COc1nc(C)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)O)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 a cytochalasan alkaloid found in Chaetomium globosum. It has a role as a Chaetomium metabolite. It is a cytochalasan alkaloid, a member of indoles and a macrocycle.

[C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C@H1][C][C][=Branch1][C][=O][C@@][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][Ring1][S][C][Branch1][C][C][=C][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][#Branch1][/C][=C][/C][C@H1][Branch1][C][C][C@H1][Ring2][Ring2][=Branch1][Ring2][Ring1][P]

SMILES: CC1=C(C)C2C(Cc3c[nH]c4ccccc34)NC(=O)C23C(=O)CC2C(=O)C(O)=C(C)C2C(C)CC=CC3C1O
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 conjugate base of (S)-3-(imidazol-5-yl)lactic acid; major species at pH 7.3. It is a conjugate base of a (S)-3-(imidazol-5-yl)lactic acid.

[O][=C][Branch1][C][O-1][C@@H1][Branch1][C][O][C][C][=C][N][=C][NH1][Ring1][Branch1]

SMILES: O=C([O-])C(O)Cc1cnc[nH]1
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 alkyl cinnamate obtained by the formal condensation of carboxy group of 3,4-dimethoxycinnamic acid with methanol. It is an alkyl cinnamate and a dimethoxybenzene. It derives from a 3,4-dimethoxycinnamic acid.

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

SMILES: COC(=O)C=Cc1ccc(OC)c(OC)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 a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) obtained by deprotonation of the phosphate group of 1-palmitoyl-2-lauroyl-sn-glycero-3-phospho-(1'-sn-glycerol); major species at pH 7.3. It is a conjugate base of a 1-palmitoyl-2-lauroyl-sn-glycero-3-phospho-(1'-sn-glycerol).

[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C@@H1][Branch1][C][O][C][O][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C]

SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)CO)OC(=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 myo-inositol hexakisphosphate in which each hydroxy group of myo-inositol is monophosphorylated. It has a role as an iron chelator, an antineoplastic agent, a signalling molecule, an Escherichia coli metabolite, a mouse metabolite and a cofactor. It is a conjugate acid of a myo-inositol hexakisphosphate(12-).

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

SMILES: O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)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 an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,19R)-19-hydroxyicos-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 alpha,beta-unsaturated monocarboxylic acid and an (omega-1)-hydroxy fatty acid ascaroside. It derives from a (2E,19R)-19-hydroxyicos-2-enoic acid. It is a conjugate acid of an ascr#35(1-).

[C][C@H1][Branch2][Ring1][#Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][/C][=Branch1][C][=O][O][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][C@H1][Ring1][Branch2][O]

SMILES: CC(CCCCCCCCCCCCCCCC=CC(=O)O)OC1OC(C)C(O)CC1O
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 hydroxycoumarin that is 4,7-dihydroxycoumarin substituted by a 1,2,6,10-tetramethyl-8-oxoundeca-2(E),5(E),9-trienyl moiety at position 3. Isolated from the roots of Ferula fukanensis, it exhibits inhibitory effects on the production of nitric oxide (NO). It has a role as a metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a sesquiterpenoid, a hydroxycoumarin and a ketone.

[C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][/C][Branch1][C][C][=C][/C][/C][=C][Branch1][C][\C][C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Ring1][N][=O]

SMILES: CC(C)=CC(=O)CC(C)=CCC=C(C)C(C)c1c(O)c2ccc(O)cc2oc1=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 organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 4-methyl-5-(2-phosphonooxyethyl)thiazole; major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 4-methyl-5-(2-phosphonooxyethyl)thiazole.

[C][C][N][=C][S][C][=Ring1][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

SMILES: Cc1ncsc1CCOP(=O)([O-])[O-]