{"atc_classifications": ["B05CA03", "P01CC02", "S02AA02", "D09AA03", "D08AF01", "S01AX04"], "availability_type": -2, "biotherapeutic": null, "black_box_warning": 0, "chemical_probe": 0, "chirality": 2, "cross_references": [], "dosed_ingredient": true, "first_approval": 1945, "first_in_class": 0, "helm_notation": null, "inorganic_flag": 0, "max_phase": "4.0", "molecule_chembl_id": "CHEMBL869", "molecule_hierarchy": {"active_chembl_id": "CHEMBL869", "molecule_chembl_id": "CHEMBL869", "parent_chembl_id": "CHEMBL869"}, "molecule_properties": {"alogp": "0.19", "aromatic_rings": 1, "full_molformula": "C6H6N4O4", "full_mwt": "198.14", "hba": 5, "hbd": 2, "heavy_atoms": 14, "mw_freebase": "198.14", "np_likeness_score": "-2.33", "num_ro5_violations": 0, "psa": "123.76", "qed_weighted": "0.41", "ro3_pass": "N", "rtb": 3}, "molecule_structures": {"canonical_smiles": "NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1", "molfile": "\n     RDKit          2D\n\n 14 14  0  0  0  0  0  0  0  0999 V2000\n   -0.1458   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7708   -4.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4250   -5.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0792   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2250   -6.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0042   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6000   -5.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7917   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7833   -5.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3833   -4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6167   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2208   -6.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6292   -7.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8542   -7.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0\n  3  1  1  0\n  4  1  2  0\n  5 12  1  0\n  6  3  1  0\n  7 11  2  0\n  8  4  1  0\n  9  2  1  0\n 10  2  2  0\n 11  6  1  0\n 12  7  1  0\n 13  5  2  0\n 14  5  1  0\n  8  6  2  0\nM  CHG  2   2   1   9  -1\nM  END\n> <chembl_id>\nCHEMBL869\n\n> <chembl_pref_name>\nNITROFURAZONE", "standard_inchi": "InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+", "standard_inchi_key": "IAIWVQXQOWNYOU-FPYGCLRLSA-N"}, "molecule_synonyms": [{"molecule_synonym": "Actin-n", "syn_type": "TRADE_NAME", "synonyms": "ACTIN-N"}, {"molecule_synonym": "Furacin", "syn_type": "TRADE_NAME", "synonyms": "FURACIN"}, {"molecule_synonym": "Furacine", "syn_type": "TRADE_NAME", "synonyms": "FURACINE"}, {"molecule_synonym": "Nitrofural", "syn_type": "ATC", "synonyms": "NITROFURAL"}, {"molecule_synonym": "Nitrofural", "syn_type": "INN", "synonyms": "NITROFURAL"}, {"molecule_synonym": "Nitrofural", "syn_type": "OTHER", "synonyms": "NITROFURAL"}, {"molecule_synonym": "Nitrofurazone", "syn_type": "BNF", "synonyms": "NITROFURAZONE"}, {"molecule_synonym": "Nitrofurazone", "syn_type": "FDA", "synonyms": "NITROFURAZONE"}, {"molecule_synonym": "Nitrofurazone", "syn_type": "MERCK_INDEX", "synonyms": "NITROFURAZONE"}, {"molecule_synonym": "Nitrofurazone", "syn_type": "OTHER", "synonyms": "NITROFURAZONE"}, {"molecule_synonym": "Nitrofurazone", "syn_type": "TRADE_NAME", "synonyms": "NITROFURAZONE"}, {"molecule_synonym": "NSC-1602", "syn_type": "RESEARCH_CODE", "synonyms": "NSC-1602"}, {"molecule_synonym": "NSC-2100", "syn_type": "RESEARCH_CODE", "synonyms": "NSC-2100"}], "molecule_type": "Small molecule", "natural_product": 1, "oral": false, "orphan": 0, "parenteral": false, "polymer_flag": 0, "pref_name": "NITROFURAZONE", "prodrug": 0, "structure_type": "MOL", "therapeutic_flag": true, "topical": true, "usan_stem": null, "usan_stem_definition": null, "usan_substem": null, "usan_year": null, "veterinary": 0, "withdrawn_flag": true}