smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(=O)n(-c2ccc(F)cc2)c(O)c1C=Nc1ccccc1O ZINC000101649144 441160105 /nfs/dbraw/zinc/16/01/05/441160105.db2.gz LHQFETYZXSTVBX-DJKKODMXSA-N -2 2 341.298 1.827 50 30 EDEALL