smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000033351549 524391882 /nfs/dbraw/zinc/39/18/82/524391882.db2.gz UEDHMTNQCCDQTG-MLPAPPSSSA-N -1 2 465.245 3.972 10 10 JHCELM