smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCC[NH+]1CCC(F)(F)CC1 85652800 325610736 /nfs/dbraw/zinc/61/07/36/325610736.db2.gz GNMKQBQUKNIDNJ-UHFFFAOYSA-N 1 2 174.194 1.631 30 30 ADECLO