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-])c1cccc(NCc2ccc([O-])c(Cl)c2)c1 ZINC000044292196 175160302 /nfs/dbraw/zinc/16/03/02/175160302.db2.gz CUMVINCCMBJSAK-UHFFFAOYSA-N -2 1 277.707 3.356 40 0 CGABML