smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)[C@H]1Cc2c(cc3oc4c(O)c([O-])c(O)c(CC=C(C)C)c4c([O-])c-3c2=O)O1 ZINC000013410076 560216464 /nfs/dbraw/zinc/21/64/64/560216464.db2.gz PIPKOMCOCGAXLZ-CYBMUJFWSA-N -2 0 410.422 4.157 1 30 in-vitro HIEFRL C=C(C)[C@@H]1Cc2c(cc3oc4c(O)c([O-])c(O)c(CC=C(C)C)c4c([O-])c-3c2=O)O1 ZINC000013410080 560216376 /nfs/dbraw/zinc/21/63/76/560216376.db2.gz PIPKOMCOCGAXLZ-ZDUSSCGKSA-N -2 0 410.422 4.157 1 30 in-vitro HIEFRL O=C([O-])C(=O)C=C([O-])c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000003594435 581102304 /nfs/dbraw/zinc/10/23/04/581102304.db2.gz DMKPCVNGEXFHKJ-HMAPJEAMSA-N -2 0 404.418 4.397 1 30 HIEFRL