smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(O)cccc1-c1nn[n-]n1 14988486 1424607317 /nfs/dbraw/zinc/60/73/17/1424607317.db2.gz PWSAAUPSVDHUCC-UHFFFAOYSA-N -2 1 178.151 0.278 50 10 ACCAML