{"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": "CHEMBL63042", "molecule_hierarchy": {"active_chembl_id": "CHEMBL63042", "molecule_chembl_id": "CHEMBL63042", "parent_chembl_id": "CHEMBL63042"}, "molecule_properties": {"alogp": "2.85", "aromatic_rings": 2, "full_molformula": "C12H9NS", "full_mwt": "199.28", "hba": 2, "hbd": 0, "heavy_atoms": 14, "mw_freebase": "199.28", "np_likeness_score": "-1.22", "num_ro5_violations": 0, "psa": "12.89", "qed_weighted": "0.59", "ro3_pass": "Y", "rtb": 0}, "molecule_structures": {"canonical_smiles": "Cc1nc(C#Cc2ccccc2)cs1", "molfile": "\n     RDKit          2D\n\n 14 15  0  0  0  0  0  0  0  0999 V2000\n    4.2292   -3.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6167   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7875   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4417   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4750   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5542   -2.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3667   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2667   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7625   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6750   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6750   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5000   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4917   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9125   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0\n  3  1  1  0\n  4  2  3  0\n  5  1  2  0\n  6  5  1  0\n  7  3  2  0\n  8  4  1  0\n  9  5  1  0\n 10  8  1  0\n 11  8  2  0\n 12 11  1  0\n 13 10  2  0\n 14 12  2  0\n  7  6  1  0\n 13 14  1  0\nM  END\n> <chembl_id>\nCHEMBL63042\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C12H9NS/c1-10-13-12(9-14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3", "standard_inchi_key": "NZHWBWVBWDOSJY-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}