smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(C(c2cn(C)c3ccccc23)c2ccccc2C(=O)[O-])c2ccccc21 ZINC000096675119 570674548 /nfs/dbraw/zinc/67/45/48/570674548.db2.gz PIZYLJWIUSCZGV-UHFFFAOYSA-N -1 0 394.474 5.548 30 0 GKACRM