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-])c1ccc2scc([O-])c2c1 725266702 537928318 /nfs/dbraw/zinc/92/83/18/537928318.db2.gz PFMRODQPCWOAGJ-UHFFFAOYSA-N -2 0 194.211 2.305 10 10 AECERL [O-]c1c(Cl)cc(O)c(O)c1Cl 140085572 571994970 /nfs/dbraw/zinc/99/49/70/571994970.db2.gz GURMNUSOVXQLNZ-UHFFFAOYSA-N -2 0 195.001 2.110 10 10 AECERL