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-])C[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)[O-] ZINC000014585734 290811055 /nfs/dbraw/zinc/81/10/55/290811055.db2.gz NSOJLVUORKKGRI-SSDOTTSWSA-N -2 0 286.192 -0.112 1 10 biogenic,in-vitro CBCFRL