smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc(CC[C@]2(CO)Oc3cc4oc(CO)cc([O-])c-4c(=O)c3C[C@H]2O)cc1 ZINC000085593579 291199447 /nfs/dbraw/zinc/19/94/47/291199447.db2.gz KWBZIBLPBRWJGM-DENIHFKCSA-N -1 1 413.426 1.233 1 10 biogenic,in-vitro HDCFMM Nc1ccc(CC[C@]2(CO)Oc3cc4oc(CO)cc(=O)c4c([O-])c3C[C@H]2O)cc1 ZINC000085593579 291199450 /nfs/dbraw/zinc/19/94/50/291199450.db2.gz KWBZIBLPBRWJGM-DENIHFKCSA-N -1 1 413.426 1.233 1 10 biogenic,in-vitro HDCFMM