smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@H](Cc1ccc(F)cc1)Oc1c(O)c(S(=O)(=O)[O-])cc2c1C(=O)c1ccccc1C2=O ZINC001227506205 1059767057 /nfs/dbraw/zinc/76/70/57/1059767057.db2.gz KWBOGKRQEOZGHQ-QGZVFWFLSA-N -1 0 500.456 2.717 20 10 KFCDRM