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 alpha,omega-dicarboxylic acid that is docosane in which the methyl groups have been oxidised to the corresponding carboxylic acids. It has a role as a metabolite. It is a conjugate acid of a docosanedioate(2-). It derives from a hydride of a docosane.

[O][=C][Branch1][C][O][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: O=C(O)CCCCCCCCCCCCCCCCCCCCC(=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 docosanoid that is (7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid carrying two hydroxy substituents at positions 14S and 21. An intermediate of specialised proresolving mediators. It has a role as an anti-inflammatory agent and a human xenobiotic metabolite. It is a docosanoid, a hydroxy polyunsaturated fatty acid, a long-chain fatty acid and a secondary allylic alcohol. It is a conjugate acid of a 14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoate.

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

SMILES: CC(O)C=CCC=CCC(O)C=CC=CCC=CCCCCCC(=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 hydroxybenzoyl-CoA that is the S-(4-hydroxybenzoyl) derivative of coenzyme A. It derives from a benzoyl-CoA and a 4-hydroxybenzoic acid. It is a conjugate acid of a 4-hydroxybenzoyl-CoA(4-).

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

SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)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 phenolate anion which is a dianion obtained by the deprotonation of both the phenolic OH groups of eosin b diphenol. It is a conjugate base of an eosin b diphenol.

[O][=C][O][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][O-1][C][Branch1][C][Br][=C][Ring1][O][O][C][=C][Ring2][Ring1][Branch1][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][O-1][=C][Ring1][#Branch2][Br]

SMILES: O=C1OC2(c3ccccc31)c1cc([N+](=O)[O-])c([O-])c(Br)c1Oc1c2cc([N+](=O)[O-])c([O-])c1Br
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-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (6Z)-octadecenoyl respectively. It has a role as a mouse metabolite. It derives from a petroselinic acid.

[C][C][C][C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][Branch1][=C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][N][O][C][=Branch1][C][=O][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][C][C]

SMILES: CCCCCCCCCCCC=CCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCC=CCCCCCCCCCCC
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 penicillenic acid having a benzyl substituent at the 2-position on the oxazolone ring. It has a role as an allergen. It is a conjugate acid of a benzylpenicillenate.

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

SMILES: CC(C)(S)C(N=Cc1nc(Cc2ccccc2)oc1O)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 purine 2'-deoxyribonucleoside 5'-diphosphate having guanine as the nucleobase. It has a role as a fundamental metabolite. It is a purine 2'-deoxyribonucleoside 5'-diphosphate, a guanyl deoxyribonucleotide and a deoxyguanosine phosphate. It is a conjugate acid of a dGDP(3-).

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

SMILES: Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[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 alanine derivative that is L-alanine bearing a 5-oxo-7-oxabicyclo[4.1.0]hept-2-yl substituent at position 3. It has a role as a bacterial metabolite, an antimicrobial agent, an EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor and an antimetabolite. It is an alicyclic ketone, an epoxide, a L-alanine derivative and a non-proteinogenic L-alpha-amino acid. It is a tautomer of an anticapsin zwitterion.

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

SMILES: NC(CC1CCC(=O)C2OC12)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 glycosyloxyflavone that is tricin attached to a D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has a role as a metabolite. It is a glycosyloxyflavone, a dimethoxyflavone, a dihydroxyflavone, a monosaccharide derivative and a D-glucoside. It derives from a 3',5'-di-O-methyltricetin.

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

SMILES: COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4O)cc3o2)cc(OC)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 sialotriaosylceramide consisting of beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide(d18:1/22:1(13Z)). It has a role as a mouse metabolite. It derives from an erucic acid.

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

SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC
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 avenic acid A. It has a role as a phytosiderophore. It is an enantiomer of a (R,R,R)-avenic acid A.

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

SMILES: O=C(O)C(O)CCNC(CCNC(CCO)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 pteridine that is lumazine substituted with a 2-hydroxyethyl group at position 8 and a methyl group at position 6; one of 20 modifications to the potent microbial riboflavin-based metabolite antigen 5-(2-oxopropylideneamino)-6-D-ribityl aminouracil (5-OP-RU), an activator of mucosal-associated invariant T (MAIT) cells when presented by the MR1 protein (reported in MED:32123373). It has a role as an epitope. It derives from a lumazine.

[C][C][=C][N][Branch1][Ring2][C][C][O][C][=N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][Ring1][Branch2][=N][Ring1][#C]

SMILES: Cc1cn(CCO)c2nc(=O)[nH]c(=O)c-2n1
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 monosaccharide derivative that is coniferol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. It has a role as a plant metabolite. It is a cinnamyl alcohol beta-D-glucoside, an aromatic ether and a monosaccharide derivative. It derives from a coniferol.

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

SMILES: COc1cc(C=CCO)ccc1OC1OC(CO)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 a member of the class of nectriapyrones that is nectriapyrone that carries a hydroxy group at position 4. It is a fungal metabolite isolated from Diaporthe gulyae. It has a role as a fungal metabolite. It derives from a nectriapyrone.

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

SMILES: COc1cc(C(C)=CCO)oc(=O)c1C
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 labdane diterpenoid in which the labdane skeleton has double bonds at positions 8(17) and 14 and carries an R-hydroxy group at position 13. It has a role as an antineoplastic agent, a plant metabolite and an antibacterial agent. It is a labdane diterpenoid and a tertiary alcohol.

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

SMILES: C=CC(C)(O)CCC1C(=C)CCC2C(C)(C)CCCC12C
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 thia fatty acid anion that is the conjugate base of 3-(methylthio)propionic acid. It has a role as a human metabolite. It derives from a propionate. It is a conjugate base of a 3-(methylthio)propionic acid.

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

SMILES: CSCCC(=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 organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 2,5-dichloro-4-{5-hydroxy-3-methyl-4-[(4-sulfophenyl)diazenyl]pyrazol-1-yl}benzene-1-sulfonic acid. It is a conjugate base of a lissamine fast yellow (acid form).

[C][C][NH1][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][O][Cl][C][=Branch1][C][=O][C][=Ring2][Ring1][C][N][=N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2]

SMILES: Cc1[nH]n(-c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)c(=O)c1N=Nc1ccc(S(=O)(=O)[O-])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 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 2-acyl group is specified as (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl (arachidonoyl). It has a role as a mouse metabolite. It is a 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol and a phosphatidylinositol(18:0/20:4). It derives from an octadecanoic acid and an arachidonic acid. It is a conjugate acid of a 1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1-).

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

SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)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 allo-bile acid that is 5alpha-cholan-24-oic acid bearing two alpha-hydroxy substituents at position 3 and 12. It has a role as a marine metabolite, a rat metabolite and a xenobiotic metabolite. It is an allo-bile acid, a 12alpha-hydroxy steroid, a 3alpha-hydroxy steroid and a C24-steroid. It is a conjugate acid of an allodeoxycholate.

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

SMILES: CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
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 androstanoid that is the acetate derivative of testosterone. It has a role as a human metabolite. It is a sterol ester, an androstanoid and a 3-oxo-Delta(4) steroid. It derives from a testosterone.

[C][C][=Branch1][C][=O][O][C@H1][C][C][C@H1][C@@H1][C][C][C][=C][C][=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(=O)OC1CCC2C3CCC4=CC(=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 hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and phenol groups of 2-hydroxy-6-(2-hydroxyphenyl)-6-oxo-cis,cis-hexa-2,4-dienoic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a hydroxy monocarboxylic acid anion and a phenolate anion. It is a conjugate base of a 2-hydroxy-6-(2-hydroxyphenyl)-6-oxo-cis,cis-hexa-2,4-dienoate.

[O][=C][Branch1][C][O][/C][Branch1][C][O-1][=C][\C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O-1]

SMILES: O=C(O)C([O-])=CC=CC(=O)c1ccccc1[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 tetraanion of (S)-3-hydroxybutanoyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups. It has a role as a human metabolite. It is a conjugate base of a (S)-3-hydroxybutanoyl-CoA.

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

SMILES: CC(O)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 an organic cation that is the conjugate acid of chanoclavine-I, obtained by protonation of the secondary amino group. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a chanoclavine-I.

[C][NH2+1][C@@H1][C][C][=C][NH1][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch2][Ring1][=Branch1][C@H1][Ring1][N][/C][=C][Branch1][C][\C][C][O]

SMILES: C[NH2+]C1Cc2c[nH]c3cccc(c23)C1C=C(C)CO
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 L-enantiomer of threonic acid. It has a role as a plant metabolite, a Daphnia magna metabolite and an algal metabolite. It is a conjugate acid of a L-threonate. It is an enantiomer of a D-threonic acid.

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

SMILES: O=C(O)C(O)C(O)CO
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 2-deoxy-D-glucose that is D-glucopyranose in which the hydroxy group at position 2 has been replaced by a hydrogen. It has a role as a metabolite. It derives from a D-glucopyranose.

[O][C][C@H1][O][C][Branch1][C][O][C][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O]

SMILES: OCC1OC(O)CC(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 steroid acid anion that is the conjugate base of 3-dehydro-4-carboxyzymosterol, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 3-dehydro-4-carboxyzymosterol.

[C][C][Branch1][C][C][=C][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C][=C][Branch1][=Branch2][C][C][C@][Ring1][=Branch2][Ring1][=Branch1][C][C@@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C@@H1][Ring1][O][C][C][Ring2][Ring1][Ring1]

SMILES: CC(C)=CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(=O)C(C(=O)[O-])C1CC3