blob: 0f7c4c771d095728e9bddf11a34ebe776754510c [file] [log] [blame]
SELECT JSON_ARRAYAGG(JSON_OBJECT('cas_nr', cas_nr, 'smiles', smiles, 'smiles_stereo', smiles_stereo, 'inchi', inchi, 'molfile_blob', molfile_blob, 'molecule_serialized', molecule_serialized, 'molfile_blob_source', molfile_blob_source, 'emp_formula', emp_formula, 'emp_formula_sort', emp_formula_sort, 'emp_formula_source', emp_formula_source, 'mw', mw, 'mw_monoiso', mw_monoiso, 'rdb', rdb, 'mw_source', mw_source, 'validated_by', validated_by, 'journal', journal, 'auth_of_intr', auth_of_intr, 'jour_cit', jour_cit, 'year_publ', year_publ, 'doi_link', doi_link, 'chemdraw', chemdraw, 'xyz_coords', xyz_coords, 'comp_class', comp_class, 'cuniq', cuniq, 'calc_perf', calc_perf, 'org_met', org_met, 'mol_chrg', mol_chrg, 'state_ofmat', state_ofmat, 'color_white', color_white, 'color_uv', color_uv, 'absorb_max', absorb_max, 'solvent_ae', solvent_ae, 'absorb', absorb, 'conc', conc, 'extinc', extinc, 'emis_max', emis_max, 'temp_abs', temp_abs, 'emis_qy', emis_qy, 'temp_ems', temp_ems, 'lifetime', lifetime, 'temp_cv', temp_cv, 'reduc_pot', reduc_pot, 'hw_or_pk_rp', hw_or_pk_rp, 'oxid_pot', oxid_pot, 'hw_or_pk_op', hw_or_pk_op, 'solvent_cv', solvent_cv, 'electrolyte', electrolyte, 'ref_electrd', ref_electrd, 'inter_thngs', inter_thngs, 'density_20', density_20, 'density_20_source', density_20_source, 'molecule_bilancing', molecule_bilancing, 'default_warn_level', default_warn_level, 'n_20', n_20, 'n_20_source', n_20_source, 'mp_low', mp_low, 'mp_high', mp_high, 'mp_source', mp_source, 'bp_low', bp_low, 'bp_high', bp_high, 'bp_press', bp_press, 'press_unit', press_unit, 'bp_source', bp_source, 'safety_r', safety_r, 'safety_h', safety_h, 'safety_s', safety_s, 'safety_p', safety_p, 'safety_text', safety_text, 'safety_sym', safety_sym, 'safety_sym_ghs', safety_sym_ghs, 'safety_source', safety_source, 'gif_file', gif_file, 'svg_file', svg_file, 'comment_mol', comment_mol, 'migrate_id_mol', migrate_id_mol, 'safety_cancer', safety_cancer, 'safety_mutagen', safety_mutagen, 'safety_reprod', safety_reprod, 'safety_wgk', safety_wgk, 'safety_danger', safety_danger, 'molecule_btm_list', molecule_btm_list, 'molecule_sprengg_list', molecule_sprengg_list, 'default_safety_sheet_blob', default_safety_sheet_blob, 'default_safety_sheet_url', default_safety_sheet_url, 'default_safety_sheet_mime', default_safety_sheet_mime, 'default_safety_sheet_by', default_safety_sheet_by, 'alt_default_safety_sheet_blob', alt_default_safety_sheet_blob, 'alt_default_safety_sheet_url', alt_default_safety_sheet_url, 'alt_default_safety_sheet_mime', alt_default_safety_sheet_mime, 'alt_default_safety_sheet_by', alt_default_safety_sheet_by, 'pos_liste', pos_liste, 'neg_liste', neg_liste, 'molecule_id', molecule_id, 'fingerprint1', fingerprint1, 'fingerprint2', fingerprint2, 'fingerprint3', fingerprint3, 'fingerprint4', fingerprint4, 'fingerprint5', fingerprint5, 'fingerprint6', fingerprint6, 'fingerprint7', fingerprint7, 'fingerprint8', fingerprint8, 'fingerprint9', fingerprint9, 'fingerprint10', fingerprint10, 'fingerprint11', fingerprint11, 'fingerprint12', fingerprint12, 'fingerprint13', fingerprint13, 'fingerprint14', fingerprint14, 'fingerprint15', fingerprint15, 'fingerprint16', fingerprint16, 'molecule_user0', molecule_user0, 'molecule_user1', molecule_user1, 'molecule_user2', molecule_user2, 'molecule_user3', molecule_user3, 'molecule_user4', molecule_user4, 'molecule_user5', molecule_user5, 'molecule_user6', molecule_user6, 'molecule_user7', molecule_user7, 'molecule_int0', molecule_int0, 'molecule_int1', molecule_int1, 'molecule_dbl0', molecule_dbl0, 'molecule_dbl1', molecule_dbl1, 'molecule_secret', molecule_secret, 'molecule_created_by', molecule_created_by, 'molecule_created_when', molecule_created_when, 'molecule_created_hashver', molecule_created_hashver, 'molecule_created_md5', molecule_created_md5, 'molecule_changed_by', molecule_changed_by, 'molecule_changed_when', molecule_changed_when, 'molecule_changed_hashver', molecule_changed_hashver, 'molecule_changed_md5', molecule_changed_md5, 'smiles_inche', smiles_inche, 'etn_kj', etn_kj, 'et_solvent', et_solvent, 'ref_etn', ref_etn, 'etp_kj', etp_kj, 'ref_etp', ref_etp, 'etn_cm', etn_cm, 'etp_cm', etp_cm)) FROM molecule;