smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=P([O-])([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000072400092 527156452 /nfs/dbraw/zinc/15/64/52/527156452.db2.gz FZTRDYSPWWJCOF-UHFFFAOYSA-N -2 0 444.080 4.225 10 30 in-vitro IIEERL