mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C1(=C(C[C@H](CC1(C)C)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](CC2(C)C)O)C)\C)\C)/C)/C</smiles> is A carotenol that is beta,beta-carotene carrying two hydroxy substituents at positions 3 and 3' (the 3R,3'S-diastereomer). It is rarely found in diet and is believed to be formed at the macula by metabolic transformations of ingested carotenoids. It has the role of antioxidant. It has the role of anti-inflammatory agent. It has the role of marine metabolite. It has the role of human xenobiotic metabolite. It is also related to or classified as carotenol.
The molecule <smiles>[In+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O</smiles> is the trinitrate salt of indium. It has the role of NMR chemical shift reference compound. It is also related to or classified as indium molecular entity, inorganic nitrate salt.
The molecule <smiles>S1[Fe][S]2[Fe]3[S]4[Fe]2[S]2[Fe]4[S]3[Ni]12</smiles> is A nickel-iron-sulfur cluster in which the nickel and iron atoms are linked by bridging sulfur atoms with the ratio Ni:Fe:S = 1:4:5. It has the role of cofactor. It is also related to or classified as nickel-iron-sulfur cluster.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(O)CCC</smiles> is A secondary fatty alcohol that is pentacosane substituted by a hydroxy group at position 4. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as pentacosanol.
The molecule <smiles>OC1=CC=C(CCNC(=O)\C=C\C2=CC=CC=C2)C=C1</smiles> is A member of the class of cinnamamides that is tyramine substituted by a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at the nitrogen atom. It is found in rice and exhibits an allelopathic effect to suppress the growth of weeds. It has the role of phytoalexin. It has the role of antimicrobial agent. It has the role of platelet aggregation inhibitor. It has the role of allelochemical. Its functional parent is tyramine. Its functional parent is trans-cinnamic acid. It is also related to or classified as secondary carboxamide .  It is also related to or classified as phenols . It is also related to or classified as cinnamamides.
The molecule <smiles>COC(=O)C1=CCCN(C)C1</smiles> is A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine. It has the role of metabolite. It has the role of muscarinic agonist. It is also related to or classified as methyl ester .   It is also related to or classified as enoate ester . It is also related to or classified as pyridine alkaloid, tetrahydropyridine.
The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O</smiles> is the ammonium ion resulting from the protonation of the amino group of psychosine. It has the role of human metabolite. It is a conjugate acid of psychosine. It is also related to or classified as ammonium ion derivative.
The molecule <smiles>OS(=O)(O)=O.[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@@H](NC(=N)N)[C@@H]([C@H]2O)O)O)NC(N)=N)O[C@H]([C@@]1(C=O)O)C)O[C@H]3[C@H]([C@@H]([C@@H](O)[C@@H](O3)CO)O)NC.OS(=O)(O)=O.OS(=O)(O)=O.[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=N)N)O)NC(N)=N)O[C@H]([C@@]1(C=O)O)C)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC</smiles> is streptomycin sulfate. Its functional parent is streptomycin. It is also related to or classified as aminoglycoside sulfate salt.
The molecule <smiles>[H]C(=[C@@]=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C(C)=O</smiles> is A member of the class of allenes that is cyclohexane substituted by 3-oxobut-1-en-1-ylidene, methyl, hydroxy, hydroxy, methyl and methyl groups at positions 1, 2, 2, 4, 6 and 6, respectively (the 2R,3R,4S-stereoisomer). It is isolated from the grasshopper, Romalea microptera. It has the role of phytotoxin. It has the role of anti-inflammatory agent. It has the role of animal metabolite. It has the role of marine metabolite. It has the role of plant metabolite. It has the role of algal metabolite. It is also related to or classified as tertiary allylic alcohol .  It is also related to or classified as diol . It is also related to or classified as secondary alcohol . It is also related to or classified as allenes . It is also related to or classified as enone . It is also related to or classified as cyclohexanols, methyl ketone.
The molecule <smiles>CS(=O)(=O)NC1=CC2=C(C=C1)N=C(CN1CCC(CC3=CC=CC=C3)CC1)N2</smiles> is A member of the class of benzimidazoles that is 1H-benzimidazole substituted by (4-benzylpiperidin-1-yl)methyl and (methylsulfonyl)amino groups at positions 2 and 6, respectively. It is a potent antagonist of the GluN2B subunit of the N-methyl-D-aspartate (NMDA) receptor. It has the role of NMDA receptor antagonist. It has the role of neuroprotective agent.    It is also related to or classified as sulfonamide . It is also related to or classified as benzenes, benzimidazoles, piperidines, tertiary amino compound.
The molecule <smiles>[Sb-](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+]</smiles> is Kaliumhexachloroantimonat(V). It has the role of NMR chemical shift reference compound. It is also related to or classified as inorganic potassium salt.
The molecule <smiles>COc1ccc(OC)c(c1)C(O)CNC(=O)C[NH3+]</smiles> is an ammonium ion resulting from the protonation of the primary amino group of midodrine. It is a conjugate acid of midodrine. It is also related to or classified as ammonium ion derivative.
The molecule <smiles>[C@@]1(CC/C(/C)=C/COP(OP(=O)(O)O)(=O)O)([C@@H](CC[C@@]2([C@]1(C)CCCC2(C)C)[H])C)O</smiles> is A diterpenyl phosphate that is the 15-O-diphospho derivative of peregrinol. Its functional parent is peregrinol. It is a conjugate acid of peregrinol diphosphate(3-). It is also related to or classified as tertiary alcohol . It is also related to or classified as labdane diterpenoid, diterpenyl phosphate.
The molecule <smiles>CS(=O)(=O)NC1=CC2=C(C=C1)N=C(CC1=CC=C(OC3=CC=CC=C3)C=C1)N2</smiles> is A member of the class of benzimidazoles that is 1H-benzimidazole substituted by 4-phenoxybenzyl and (methylsulfonyl)amino groups at positions 2 and 6, respectively. It is a potent antagonist of the GluN2B subunit of the N-methyl-D-aspartate (NMDA) receptor. It has the role of NMDA receptor antagonist. It has the role of neuroprotective agent.   It is also related to or classified as sulfonamide . It is also related to or classified as benzenes, benzimidazoles, aromatic ether.
The molecule <smiles>CC(C)[C@H]1CC[C@]2([C@@]1([H])C=CC(C)=CCCC(C)=CCCC(CC2)=C)C</smiles> is A sesterterpene that is produced by a sesterterpene synthase from Streptomyces violens. It has the role of bacterial metabolite.  It is also related to or classified as sesterterpene . It is also related to or classified as bicyclic compound, polycyclic olefin.
The molecule <smiles>C(=O)(O)[C@H](CCC(C=[N+]=[N-])=O)N</smiles> is A non-proteinogenic L-alpha-amino acid that is L-norleucine which is substituted at position 5 by an oxo group and at position 6 by a diazo group. It is as inhibitor of various glutamine-utilising enzymes. It has the role of EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor. It has the role of EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor. It has the role of EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor. It has the role of EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor. It has the role of glutamine antagonist. It has the role of EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor. It has the role of EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor. It has the role of EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor. It has the role of antiviral agent. It has the role of antibacterial agent. It has the role of antimetabolite. It has the role of analgesic. It has the role of antineoplastic agent. It has the role of EC 3.5.1.2 (glutaminase) inhibitor. It has the role of apoptosis inducer. It has the role of bacterial metabolite. It is also related to or classified as ketone . It is also related to or classified as diazo compound, non-proteinogenic L-alpha-amino acid.
The molecule <smiles>[Al-]</smiles> is aluminide(1-). It is also related to or classified as monoatomic monoanion . It is also related to or classified as monoatomic aluminium.
The molecule <smiles>OC(C[C@H](C([H])=O)O)=O</smiles> is A 4-oxo monocarboxylic acid that is 4-oxobutanoic acid in which the pro-R hydrogen at position 3 has been replaced by a hydroxy group. It is a conjugate acid of (3R)-3-hydroxy-4-oxobutanoate.  It is also related to or classified as secondary alcohol .  It is also related to or classified as hydroxyaldehyde . It is also related to or classified as aldehydic acid, 4-oxo monocarboxylic acid.
The molecule <smiles>S(=O)(=O)(N1[C@H](C(SCC1)(C)C)C(=O)NO)C2=CC=C(OC3=CC=NC=C3)C=C2.[H+]</smiles> is an organic cation resulting from the protonation of prinomastat. It is a conjugate acid of prinomastat. It is also related to or classified as organic cation.
The molecule <smiles>OC(=O)CC(=O)Nc1ccccc1C(O)=O</smiles> is N-malonylanthranilic acid. Its functional parent is anthranilic acid. It is a conjugate acid of N-malonylanthranilate. It is also related to or classified as dicarboxylic acid monoamide.
The molecule <smiles>S(=O)(=O)(N1[C@H](C(SCC1)(C)C)C(=O)NO)C2=CC=C(OC3=CC=NC=C3)C=C2</smiles> is A hydroxamic acid that is (3S)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide in which the hydrogen attached to the thiomorpholine nitrogen has been replaced by a [4-(pyridin-4-yloxy)phenyl]sulfonyl group. It is a selective inhibitor with of matrix metalloproteinases (MMPs) 2, 3, 9, 13, and 14. It has the role of antineoplastic agent. It has the role of matrix metalloproteinase inhibitor. It has the role of EC 3.4.24.35 (gelatinase B) inhibitor.   It is also related to or classified as sulfonamide . It is also related to or classified as hydroxamic acid, pyridines, aromatic ether, thiomorpholines.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCC(O)CC</smiles> is A secondary fatty alcohol that is pentacosane substituted by a hydroxy group at position 3. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as pentacosanol.
The molecule <smiles>CC(=O)N[C@@H](CCCC(=O)OP([O-])([O-])=O)C([O-])=O</smiles> is an N-acyl-L-alpha-amino acid anion arising from deprotonation of the carboxy and phosphate OH groups of N-acetyl-L-2-aminoadipic acid 6-phosphate; major species at pH 7.3.  It is also related to or classified as N-acyl-L-alpha-amino acid anion . It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>C=12C(=CC3=C4C1[C@]5([C@@](C(C2)=C)(C[C@@]5(C(O[C@]6([C@]7([C@](C(N3)=C46)([C@@]8([C@@](CC7)([C@]9%10[C@](CC8)(O[C@]%11([C@@]([C@H]9O%10)(OC%11(C)C)[H])[H])[H])O)C)C)[H])[H])(C)C)[H])[H])O)Cl</smiles> is Pennigritrem. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>O(C[C@]1(O[C@@H]([C@H]([C@@H]1O)O)CO)O)P([O-])(=O)[O-]</smiles> is a D-fructofuranose 1-phosphate(2-) obtained by deprotonation of the phosphate OH groups of beta-D-fructofuranose 1-phosphate; major species at pH 7.3. It is also related to or classified as D-fructofuranose 1-phosphate(2-) .
The molecule <smiles>O1C(OC=2C3=C(C=C(O)C2)C=CCCCC(=O)CCCC(OC3=O)C)C(O)C(O)C(O)C1C(O)=O</smiles> is 3,4,5-trihydroxy-6-[(14-hydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-16-yl)oxy]oxane-2-carboxylic acid. It is also related to or classified as macrolide . It is also related to or classified as resorcinols.
The molecule <smiles>N1C(N2[C@@]3([C@]([C@@H]1COC(NS(O)(=O)=O)=O)(NC(N3)=N)[H])C(CC2)(O)O)=N</smiles> is Gonyautoxin 5. It has the role of marine metabolite. It is also related to or classified as paralytic shellfish toxin . It is also related to or classified as organic heterotricyclic compound.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C</smiles> is the all-trans-isomer of  phytofluene. It has the role of plant metabolite. It has the role of human xenobiotic metabolite. It is also related to or classified as phytofluene .
The molecule <smiles>C1=CC=C2C(=C1)C3=C(N2)[C@]4([C@](C3)(CC[C@@]5([C@@]4(CC[C@]6([C@]5([C@@H](C[C@H](O6)C(O)(C)C)O)C)[H])C)[H])[H])C</smiles> is Terpendole E. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC(OC)=C(OC)C(OC)=C4)C=C(OC)C2)CO</smiles> is Lethedoside B. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>[Al+]</smiles> is aluminium(1+). It is also related to or classified as monoatomic monocation . It is also related to or classified as monoatomic aluminium, aluminium cation.
The molecule <smiles>C1=CC=C2C(=C1)C3=C(N2)[C@]4([C@](C3)(CC[C@@]5([C@@]4(CC[C@]67C5=CC([C@H](O6)C(O7)(C)C)=O)C)O)[H])C</smiles> is Paspalinine. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>[H][C@@]1(OC(O[C@@H]2[C@@H](CO[C@H]3O[C@H](C)[C@@H](NC)[C@H](O[C@@H]4O[C@@H]([C@@H](OC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](NC(C)=O)[C@@H]4NC(C)=O)C(O)=O)[C@H]3NC(C)=O)O[C@H](C=O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO</smiles> is A pentasaccharide derivative that comprises the distal pentasaccharide of the oligosaccharide segment of Bordetella pertussis strain 186 lipooligosaccharide. It is also related to or classified as pentasaccharide derivative.
The molecule <smiles>[H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](O)[C@H]1O)[C@]21CO1)OC(=O)CC(C)C</smiles> is A trichothecene mycotoxin that is T-2 toxin in which the acetyloxy group at position 4S has been hydrolysed to the corresponding hydroxy group. It is the major metabolite of T-2 toxin. It has the role of apoptosis inducer. It has the role of fungal metabolite.  It is also related to or classified as acetate ester . It is also related to or classified as trichothecene . It is also related to or classified as organic heterotetracyclic compound.
The molecule <smiles>C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)C[NH2+][C@H](C([O-])=O)CCCC[NH3+]</smiles> is major species at pH 7.3. It is also related to or classified as polar amino acid zwitterion .
The molecule <smiles>CCn1cc(C(O)=O)c(=O)c2cc3OCOc3cc12</smiles> is A quinolinemonocarboxylic acid having the carboxy group at position 7 as well as oxo and ethyl groups at positions 4 and 1 respectively and a dioxolo ring fused at the 5- and 6-positions. A synthetic antibiotic, it is used in veterinary medicine for the treatment of bacterial infections in cattle, pigs and poultry. It has the role of enzyme inhibitor. It has the role of antimicrobial agent. It has the role of antiinfective agent. It has the role of antifungal agent. It has the role of antibacterial drug. It is a conjugate acid of oxolinate. It is also related to or classified as quinolinemonocarboxylic acid, organic heterotricyclic compound, oxacycle, quinolone antibiotic, aromatic carboxylic acid.
The molecule <smiles>C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)C[NH2+]CCCC[C@@H](C([O-])=O)[NH3+]</smiles> is major species at pH 7.3. It is also related to or classified as polar amino acid zwitterion .
The molecule <smiles>[H][C@@]1(CCCCCCCC(C)C)CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1</smiles> is A cyclodepsipeptide that is N-[(3R)-3-hydroxy-11-methyldodecanoyl]-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl-L-alpha-aspartyl-D-leucyl-L-leucine in which the C-terminal carboxy group has been lactonised by condensation with the alcoholic hydroxy group. It has the role of antiviral agent. It has the role of metabolite. It has the role of antibacterial agent. It has the role of surfactant. It has the role of antineoplastic agent. It has the role of antifungal agent.  It is also related to or classified as cyclodepsipeptide . It is also related to or classified as lipopeptide antibiotic, macrocyclic lactone.
The molecule <smiles>O1C(OC=2C(O)=C(C(C(=O)C3=C(O)C=C(O)C=C3O)C)C=CC2OC)C(O)C(O)C(O)C1C(O)=O</smiles> is 3,4,5-trihydroxy-6-{2-hydroxy-6-methoxy-3-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenoxy}oxane-2-carboxylic acid. It is also related to or classified as glycoside . It is also related to or classified as stilbenoid.
The molecule <smiles>C=12C=CC3=C4C1[C@]5([C@@](C(C2)=C)(C[C@@]5(C(O[C@]6([C@]7([C@](C(N3)=C46)([C@@]8([C@@](CC7)(C=9[C@](CC8)(O[C@@H]([C@@H](C9)O)C(=C)C)[H])O)C)C)[H])[H])(C)C)[H])[H])[H]</smiles> is Penitrem D. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>[H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1</smiles> is A pyrazinopyridoindole that is 2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione substituted at position 2 by a methyl group and at position 6 by a 1,3-benzodioxol-5-yl group (the 6R,12aR-diastereomer). A phosphodiesterase V inhibitor inhibitor, currently marketed in pill form for treating erectile dysfunction under the name Cialis; and under the name Adcirca for the treatment of pulmonary arterial hypertension. It has the role of vasodilator agent. It has the role of EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor. It is also related to or classified as benzodioxoles, pyrazinopyridoindole.
The molecule <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CC[C@@](C)([C@]4(CCC5[C@@]4(CCC6[C@]7(CC[C@H](CC7CCC56)O)C)C)[H])[H])=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O</smiles> is A steroidal acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of any 3alpha-hydroxy bile acid; major species at pH 7.3. It is also related to or classified as steroidal acyl-CoA(4-) .
The molecule <smiles>[H][C@@]1(O[C@H](O[C@H]2[C@H](O)[C@@H](N)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O[C@H]5O[C@]([H])([C@H](O)CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6N)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)[C@H](O)[C@@H](O[C@@H]5[C@H](O)C[C@@](O)(O[C@]5([H])[C@H](O)CO)C(O)=O)O[C@]4([H])[C@@H](O)CO)O[C@@H]3CO[C@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3N)C(O)=O)O[C@@H]2CO[C@H]2O[C@@H](C)[C@@H](NC)[C@@H](O[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](NC(C)=O)[C@@H]3NC(C)=O)C(O)=O)[C@@H]2NC(C)=O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO</smiles> is A twelve-residue oligosaccharide derivative that comprises the core oligosaccharide and distal trisaccharide of the oligosaccharide segment of Bordetella pertussis strain 186 lipooligosaccharide. It is also related to or classified as oligosaccharide derivative.
The molecule <smiles>O1C(OC=2C(=C3OC(C=CC3=C4OC(=O)C=C(C24)C5=CC=C(O)C=C5)(C)C)C(=O)C(C)C)C(O)C(O)C(O)C1C(O)=O</smiles> is 3,4,5-trihydroxy-6-{[4-(4-hydroxyphenyl)-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-2H,8H-pyrano[2,3-f]chromen-5-yl]oxy}oxane-2-carboxylic acid.  It is also related to or classified as glycoside . It is also related to or classified as coumarins.
The molecule <smiles>S(=O)(=O)(N1[C@H](C(SCC1)(C)C)C(=O)NO)C2=CC=C(OC3=CC=NC=C3)C=C2.Cl</smiles> is A hydrochloride resulting from the formal reaction of equimolar amounts of prinomastat and hydrogen chloride. A selective inhibitor with of matrix metalloproteinases (MMPs) 2, 3, 9, 13, and 14. It has the role of antineoplastic agent. It has the role of matrix metalloproteinase inhibitor. It has the role of EC 3.4.24.35 (gelatinase B) inhibitor. It is also related to or classified as hydrochloride.
The molecule <smiles>C=1(C=C(C=C(C1N(S(C=2C=CC(=CC2)OC)(=O)=O)CC=3C=CC=CC3)C(=O)NO)CN(CC)CC)C</smiles> is A hydroxamic acid that is N-hydroxy-3-methylbenzamide in which the the hydrogens at positions 2 and 5 have been replaced by benzyl[(4-methoxyphenyl)sulfonyl]amino and (diethylamino)methyl groups, respectively. It is a cell-permeable, potent, selective, and reversible inhibitor of matrix metallopeptidase-9 (MMP-9, EC 3.4.24.35). It has the role of EC 3.4.24.35 (gelatinase B) inhibitor.  It is also related to or classified as sulfonamide . It is also related to or classified as hydroxamic acid, aromatic ether, tertiary amino compound.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCC(O)CCCC</smiles> is A secondary fatty alcohol that is pentacosane substituted by a hydroxy group at position 5. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as pentacosanol.
The molecule <smiles>OC1=C(C=C(/N=N/C2=CC=C(C(OCC)=O)C=C2)C=C1)CC(=O)O</smiles> is A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 4 by an ethoxycarbonyl group, while the other is substituted by a carboxymethyl group at position 3 and a hydroxy group at position 4. It is a potent and selective inhibitor of 15-hydroxyprostaglandin dehydrogenase (15-hydroxy-PGDH). It has the role of EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor. It is also related to or classified as azobenzenes . It is also related to or classified as ethyl ester . It is also related to or classified as phenols . It is also related to or classified as dicarboxylic acid monoester.
The molecule <smiles>[O-]C(=O)CCCCCC(=O)C([O-])=O</smiles> is an oxo dicarboxylic acid dianion that is the conjugate base of 2-oxosuberic acid resulting from the deprotonation of the two carboxy groups. Major microspecies at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as oxo dicarboxylic acid dianion.
The molecule <smiles>IC1=CC(CCN2CCN(CCOC(C3=CC=CC=C3)C3=CC=CC=C3)CC2)=CC=C1N=[N+]=[N-]</smiles> is an N-alkylpiperazine that consists of piperazine bearing 2-(benzhydryloxy)ethyl and 2-(4-azido-3-iodophenyl)ethyl groups at positions 1 and 4 respectively. It has the role of dopamine uptake inhibitor. It is also related to or classified as azide . It is also related to or classified as ether . It is also related to or classified as organoiodine compound . It is also related to or classified as N-alkylpiperazine.
The molecule <smiles>N1(C(N2[C@@]3([C@]([C@@H]1CO)(NC(N3)=N)[H])C([C@@H](C2)OS(O)(=O)=O)(O)O)=N)O</smiles> is Decarbamoylgonyautoxin 1. It has the role of marine metabolite. It is also related to or classified as paralytic shellfish toxin . It is also related to or classified as organic heterotricyclic compound.
The molecule <smiles>CC(=O)N[C@@H](CCCC([O-])=O)C([O-])=O</smiles> is an N-acyl-L-alpha-amino acid anion arising from deprotonation of both carboxy groups of N-acetyl-L-2-aminoadipic acid; major species at pH 7.3. It has the role of metabolite. It is also related to or classified as dicarboxylic acid dianion . It is also related to or classified as N-acyl-L-alpha-amino acid anion .
The molecule <smiles>OC1=CC=C(C([O-])=O)C(O)=C1</smiles> is A dihydroxybenzoate that is the conjugate base of 2,4-dihydroxybenzoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as dihydroxybenzoate . It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>C=12C=CC3=C4C1[C@]5([C@@](C(C2)=C)(C[C@@]5(C(O[C@]6([C@]7([C@](C(N3)=C46)([C@@]8([C@@](CC7)([C@]9%10[C@](CC8)(O[C@@H]([C@@H]([C@H]9O%10)O)C(=C)C)[H])O)C)C)[H])[H])(C)C)[H])[H])[H]</smiles> is Penitrem B. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>[N-]=[N+]=NC1=CC=C(CN2CCC(CCOC(C3=CC=CC=C3)C3=CC=CC=C3)CC2)C=C1</smiles> is A member of the class of piperidines that is piperidine substituted by (4-azidophenyl)methyl and 2-(diphenylmethoxy)ethyl groups at positions 1 and 4, respectively. It binds to the dopamine transporter ligand binding site. It is also related to or classified as azide .  It is also related to or classified as ether . It is also related to or classified as benzenes, piperidines, tertiary amino compound, diarylmethane.