smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cc(Cl)c([O-])c(Cl)c1[O-] ZINC000083164995 541450070 /nfs/dbraw/zinc/45/00/70/541450070.db2.gz UWNCILLRLCVHSW-UHFFFAOYSA-N -2 1 221.039 2.607 40 0 BFABML O=C([O-])/C=C/c1c([O-])cc(Cl)cc1Cl ZINC000002524647 386292878 /nfs/dbraw/zinc/29/28/78/386292878.db2.gz GEKIQWLNPLMVOP-OWOJBTEDSA-N -2 1 233.050 2.797 40 0 BFABML