smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1O ZINC000038161190 569799618 /nfs/dbraw/zinc/79/96/18/569799618.db2.gz TUAIHLIIKYDFBE-ODLFYWEKSA-N -2 2 478.888 5.140 50 10 JKCALL