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-])c1cc(C(=O)C=C(O)c2cc(C(=O)[O-])c(O)c3ccccc23)c2ccccc2c1O ZINC000104199149 557322026 /nfs/dbraw/zinc/32/20/26/557322026.db2.gz GWUFCOZQOWZNFV-UHFFFAOYSA-N -2 2 444.395 4.256 40 0 IIABLL