smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)N[N-]C(=O)c1ccc(C(=O)NNC(=O)[O-])o1 ZINC000823822641 604640141 /nfs/dbraw/zinc/64/01/41/604640141.db2.gz PNUUWULQHFBKEA-UHFFFAOYSA-N -2 2 328.281 0.362 20 50 ECGDLL