{"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": "CHEMBL293361", "molecule_hierarchy": null, "molecule_properties": {"alogp": "0.83", "aromatic_rings": 1, "full_molformula": "C9H8N2O", "full_mwt": "160.18", "hba": 2, "hbd": 1, "heavy_atoms": 12, "mw_freebase": "160.18", "np_likeness_score": "-1.11", "num_ro5_violations": 0, "psa": "52.89", "qed_weighted": "0.51", "ro3_pass": "Y", "rtb": 2}, "molecule_structures": {"canonical_smiles": "N#CNC(=O)Cc1ccccc1", "molfile": "\n     RDKit          2D\n\n 12 12  0  0  0  0  0  0  0  0999 V2000\n   -1.8389   -2.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1166   -2.9638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5603   -2.1627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2667   -2.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9881   -2.1887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2516   -3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9579   -3.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6795   -3.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9431   -4.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6493   -5.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3858   -3.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3749   -4.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  3  0\n  3  1  1  0\n  4  3  1  0\n  5  4  2  0\n  6  4  1  0\n  7  6  1  0\n  8  7  2  0\n  9  7  1  0\n 10  9  2  0\n 11  8  1  0\n 12 10  1  0\n 12 11  2  0\nM  END\n> <chembl_id>\nCHEMBL293361\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C9H8N2O/c10-7-11-9(12)6-8-4-2-1-3-5-8/h1-5H,6H2,(H,11,12)", "standard_inchi_key": "YFHYOTWTHOYZAC-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}