{"atc_classifications": [], "availability_type": -1, "biotherapeutic": null, "black_box_warning": 0, "chemical_probe": 0, "chirality": -1, "cross_references": [], "dosed_ingredient": false, "first_approval": null, "first_in_class": -1, "helm_notation": null, "inorganic_flag": -1, "max_phase": null, "molecule_chembl_id": "CHEMBL1288560", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1288560", "molecule_chembl_id": "CHEMBL1288560", "parent_chembl_id": "CHEMBL1288560"}, "molecule_properties": {"alogp": "2.78", "aromatic_rings": 2, "full_molformula": "C14H14O4", "full_mwt": "246.26", "hba": 4, "hbd": 0, "heavy_atoms": 18, "mw_freebase": "246.26", "np_likeness_score": "0.03", "num_ro5_violations": 0, "psa": "56.51", "qed_weighted": "0.61", "ro3_pass": "N", "rtb": 4}, "molecule_structures": {"canonical_smiles": "CCCOc1cc2oc(=O)ccc2cc1C(C)=O", "molfile": "\n     RDKit          2D\n\n 18 19  0  0  0  0  0  0  0  0999 V2000\n   22.0666   -4.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.0654   -4.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.7798   -5.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.7780   -3.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.4928   -4.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.4963   -4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.2149   -5.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   24.9348   -4.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.9314   -4.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.2081   -3.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   25.6499   -5.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   21.3512   -5.3022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   21.3525   -3.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.3523   -2.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   20.6387   -4.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.6375   -4.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.9232   -5.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.2096   -4.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6  7  1  0\n  7  8  1  0\n  8  9  1  0\n  9 10  2  0\n  5  6  1  0\n  8 11  2  0\n  2 12  1  0\n  2  3  1  0\n  1 13  1  0\n  3  6  2  0\n 13 14  2  0\n  1  2  2  0\n 13 15  1  0\n  5  4  2  0\n 12 16  1  0\n  4  1  1  0\n 16 17  1  0\n  5 10  1  0\n 17 18  1  0\nM  END\n> <chembl_id>\nCHEMBL1288560\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C14H14O4/c1-3-6-17-13-8-12-10(4-5-14(16)18-12)7-11(13)9(2)15/h4-5,7-8H,3,6H2,1-2H3", "standard_inchi_key": "VIKCPCBUFQJHPC-UHFFFAOYSA-N"}, "molecule_synonyms": [], "molecule_type": "Small molecule", "natural_product": 0, "oral": false, "orphan": -1, "parenteral": false, "polymer_flag": 0, "pref_name": null, "prodrug": -1, "structure_type": "MOL", "therapeutic_flag": false, "topical": false, "usan_stem": null, "usan_stem_definition": null, "usan_substem": null, "usan_year": null, "veterinary": -1, "withdrawn_flag": false}