| Celecoxib | Organic compounds | Organoheterocyclic compounds | Azoles | Pyrazoles | Details |
| Sumatriptan | Organic compounds | Organoheterocyclic compounds | Indoles and derivatives | Tryptamines and derivatives | Details |
| Clopidogrel | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues | Details |
| Tannase | Organic compounds | Organoheterocyclic compounds | Diazanaphthalenes | Naphthyridines | Details |
| Escitalopram | Organic compounds | Benzenoids | Benzene and substituted derivatives | Phenylbutylamines | Details |
| Calusterone | Organic compounds | Lipids and lipid-like molecules | Steroids and steroid derivatives | Androstane steroids | Details |
| 2,4,6-trinitrotoluene | Organic compounds | Benzenoids | Benzene and substituted derivatives | Nitrobenzenes | Details |
| NG,NG-Dimethyl-L-arginine | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues | Details |
| N-benzylformamide | Organic compounds | Benzenoids | Benzene and substituted derivatives | Not Available | Details |
| D-Phenyllactic acid | Organic compounds | Phenylpropanoids and polyketides | Phenylpropanoic acids | Not Available | Details |
| (R)-3-Hydroxy-tetradecanoic acid | Organic compounds | Lipids and lipid-like molecules | Fatty Acyls | Fatty acids and conjugates | Details |
| Palmitoylglycine | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues | Details |
| 3b,17b-Dihydroxyetiocholane | Organic compounds | Lipids and lipid-like molecules | Steroids and steroid derivatives | Androstane steroids | Details |
| 3b,7a,12a-Trihydroxy-5a-Cholanoic acid | Organic compounds | Lipids and lipid-like molecules | Steroids and steroid derivatives | Bile acids, alcohols and derivatives | Details |
| biochanin A 7-O-[beta-D-apiofuranosyl-(1-5)-beta-D-apiofuranosyl-(1-6)-be+ | Not Available | Not Available | Not Available | Not Available | Details |
| 3a,17a-Dihydroxy-5b-androstane | Organic compounds | Lipids and lipid-like molecules | Steroids and steroid derivatives | Androstane steroids | Details |
| 3b,7b,12a-Trihydroxy-5a-Cholanoic acid | Organic compounds | Lipids and lipid-like molecules | Steroids and steroid derivatives | Bile acids, alcohols and derivatives | Details |
| 24,25-Dihydroxyvitamin D | Organic compounds | Lipids and lipid-like molecules | Steroids and steroid derivatives | Vitamin D and derivatives | Details |
| 5a-Androstane-3a,17a-diol | Organic compounds | Lipids and lipid-like molecules | Steroids and steroid derivatives | Androstane steroids | Details |
| Na+ | Inorganic compounds | Homogeneous metal compounds | Homogeneous alkali metal compounds | Not Available | Details |
| L-Homocysteine | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues | Details |
| N-Acetyl-alpha-neuraminic acid | Organic compounds | Organic oxygen compounds | Organooxygen compounds | Carbohydrates and carbohydrate conjugates | Details |
| Tauroursocholic acid | Organic compounds | Lipids and lipid-like molecules | Steroids and steroid derivatives | Bile acids, alcohols and derivatives | Details |
| Ursocholic acid | Organic compounds | Lipids and lipid-like molecules | Steroids and steroid derivatives | Bile acids, alcohols and derivatives | Details |
| Taurallocholic acid | Organic compounds | Lipids and lipid-like molecules | Steroids and steroid derivatives | Bile acids, alcohols and derivatives | Details |
| 4a-Methyl-5a-cholesta-8,24-dien-3-one | Organic compounds | Lipids and lipid-like molecules | Steroids and steroid derivatives | Cholestane steroids | Details |
| nicotinate adenine dinucleotide | Organic compounds | Nucleosides, nucleotides, and analogues | (5'->5')-dinucleotides | Not Available | Details |
| myristoyl-CoA | Organic compounds | Lipids and lipid-like molecules | Fatty Acyls | Fatty acyl thioesters | Details |
| 3-ureido-isobutyrate | Organic compounds | Organic acids and derivatives | Organic carbonic acids and derivatives | Ureas | Details |
| petroselinate | Organic compounds | Lipids and lipid-like molecules | Fatty Acyls | Fatty acids and conjugates | Details |