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=C([N-]C(=O)OC(C)(C)C)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000071788242 553638282 /nfs/dbraw/zinc/63/82/82/553638282.db2.gz CLWOXZHZADAQEW-KRWDZBQOSA-N -2 0 508.572 3.756 20 30 KHEDRL