| Name | SMILES | Flavor type | Data resource |
|---|---|---|---|
| Antazoline hydrochloride | Cl.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | Bitter | BitterSweet, BitterDB, ChemTasteDB |
| Picoperine hydrochloride | Cl.c1ccc(N(CCN2CCCCC2)Cc2ccccn2)cc1 | Bitter | BitterSweet, BitterDB, ChemTasteDB |
| Naphazoline hydrochloride | Cl.c1ccc2c(CC3=NCCN3)cccc2c1 | Bitter | BitterSweet, BitterDB, ChemTasteDB |
| Miconazole | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | Bitter | BitterSweet, BitterDB, ChemTasteDB |
| Theophylline | Cn1c(=O)c2[nH]cnc2n(C)c1=O | Bitter | ChemTasteDB, PhytoMolecularTasteDB, PlantMolecularTasteDB, BitterDB, BitterSweet |
| Aminophylline | Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN | Bitter | BitterSweet, BitterDB, ChemTasteDB |
| 1,3,7,9-Tetramethyluric acid | Cn1c(=O)c2c(n(C)c1=O)n(C)c(=O)n2C | Bitter | BitterDB, ChemTasteDB |
| Caffeine | Cn1c(=O)c2c(ncn2C)n(C)c1=O | Bitter | ChemTasteDB, PhytoMolecularTasteDB, FlavorDB, Natural_TAS2R_agonists, PlantMolecularTasteDB, BitterDB, BitterSweet |
| Dyphylline | Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O | Bitter | BitterSweet, PlantMolecularTasteDB, BitterDB, ChemTasteDB |
| 1-Methy-2-quinolinone | Cn1c(=O)ccc2ccccc21 | Bitter | BitterSweet, BitterDB, ChemTasteDB |
| arborine | Cn1c(Cc2ccccc2)nc(=O)c2ccccc21 | Bitter | PlantMolecularTasteDB |
| Methimazole | Cn1cc[nH]c1=S | Bitter | BitterSweet, BitterDB, ChemTasteDB |
| Azathioprine | Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12 | Bitter | BitterSweet, BitterDB, ChemTasteDB |
| Theobromine | Cn1cnc2c1c(=O)[nH]c(=O)n2C | Bitter | ChemTasteDB, PhytoMolecularTasteDB, Natural_TAS2R_agonists, PlantMolecularTasteDB, BitterDB, BitterSweet |
| Sarmentosin | N#C/C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO | Bitter | BitterSweet |
| 4-Glucosyloxymandelonitrile | N#CC(O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1 | Bitter | Natural_TAS2R_agonists |
| taxiphyllin | N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1 | Bitter | PlantMolecularTasteDB |
| prunasin | N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccccc1 | Bitter | Natural_TAS2R_agonists, PlantMolecularTasteDB |
| D-Amygdalin | N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1 | Bitter | ChemTasteDB, PhytoMolecularTasteDB, Natural_TAS2R_agonists, PlantMolecularTasteDB, BitterDB, BitterSweet |
| prunasin | N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 | Bitter | PhytoMolecularTasteDB |
| Amygdalin | N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 | Bitter | BitterSweet |
| Sodium thiocyanate | N#C[S-].[Na+] | Bitter | BitterDB, ChemTasteDB |
| 3-{[(4-cyanophenyl)carbamoyl](cyclohexyl)amino}propanoic acid | N#Cc1ccc(NC(=O)N(CCC(=O)O)C2CCCCC2)cc1 | Bitter | ChemTasteDB |
| 3-{benzyl[(4-cyanophenyl)carbamoyl]amino}propanoic acid | N#Cc1ccc(NC(=O)N(CCC(=O)O)Cc2ccccc2)cc1 | Bitter | ChemTasteDB |
| Sodium_thiocyanate | N#[11C][S-].[Na+] | Bitter | BitterSweet |
| Pentamidine isethionate | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO | Bitter | BitterSweet, BitterDB, ChemTasteDB |
| Propamidine isethionate | N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO | Bitter | BitterSweet, BitterDB, ChemTasteDB |
| Chlorhexidine | NC(=NCCCCCC/N=C(\N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1 | Bitter | BitterSweet |
| Chlorhexidine | NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1 | Bitter | BitterDB, ChemTasteDB |