smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOc1ccccc1C[N@H+]1Cc2cc(C)ccc2OC2(CC[NH+](CC)CC2)C1 ZINC000019527063 569018225 /nfs/dbraw/zinc/01/82/25/569018225.db2.gz ZDOHYTBWNQLWKV-UHFFFAOYSA-N 2 1 404.554 4.256 40 30 HIEBMP