smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(-c2ccc(NN=C3C(=O)NC(=O)NC3=O)cc2)nc2ccccc21 ZINC000020533843 558385283 /nfs/dbraw/zinc/38/52/83/558385283.db2.gz PKVQIMKJHHVQHJ-UHFFFAOYSA-N -1 2 403.354 2.574 10 30 HFEELM