{"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": "CHEMBL3706478", "molecule_hierarchy": {"active_chembl_id": "CHEMBL3706478", "molecule_chembl_id": "CHEMBL3706478", "parent_chembl_id": "CHEMBL3706478"}, "molecule_properties": {"alogp": "0.87", "aromatic_rings": 1, "full_molformula": "C6H6O3S", "full_mwt": "158.18", "hba": 3, "hbd": 2, "heavy_atoms": 10, "mw_freebase": "158.18", "np_likeness_score": "-0.98", "num_ro5_violations": 0, "psa": "57.53", "qed_weighted": "0.67", "ro3_pass": "Y", "rtb": 2}, "molecule_structures": {"canonical_smiles": "O=C(O)C(O)c1cccs1", "molfile": "\n     RDKit          2D\n\n 10 10  0  0  0  0  0  0  0  0999 V2000\n    0.7500   -1.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6281   -2.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2135    0.3943    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2135    0.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7500   -1.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8218   -2.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0157   -3.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1779   -3.7398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7191   -4.5887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0\n  1  3  1  0\n  1  6  2  0\n  3  4  1  0\n  5  6  1  0\n  4  5  2  0\n  7  2  1  0\n  2  8  1  0\n  8  9  1  0\n  8 10  2  0\nM  END\n> <chembl_id>\nCHEMBL3706478\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C6H6O3S/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5,7H,(H,8,9)", "standard_inchi_key": "WPWZFAUHXAPBFF-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}