smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC/C(=N\[O-])c1ccccc1 ZINC000224343710 359444673 /nfs/dbraw/zinc/44/46/73/359444673.db2.gz OZOKAVMHGSEHME-FOCLMDBBSA-N -1 3 233.355 4.616 10 30 BJEEHM