smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(OC)c2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000014727622 560225224 /nfs/dbraw/zinc/22/52/24/560225224.db2.gz PGWGLEHDWSDHBH-UHFFFAOYSA-N -1 1 424.493 5.392 1 5 in-vitro HKBFMM COc1c([O-])cc2oc3cc4oc(C(C)(C)O)cc4cc3c(=O)c2c1CC=C(C)C ZINC000095486377 291293856 /nfs/dbraw/zinc/29/38/56/291293856.db2.gz FTZDZXLLAQPNDR-UHFFFAOYSA-N -1 1 408.450 5.143 1 5 biogenic,in-vitro HKBFMM