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-])=C1C(=O)[C@@H](O)[C@@H]2Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]2(O)C1=O ZINC000005855030 560203730 /nfs/dbraw/zinc/20/37/30/560203730.db2.gz PVBMPOWPNVAEKO-KAFSRPFYSA-N -1 1 400.339 0.387 1 30 in-vitro HCEFMM