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-])C1=C(OS(=O)(=O)C(F)(F)F)NC[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N12 ZINC000009575110 562973394 /nfs/dbraw/zinc/97/33/94/562973394.db2.gz PTVCLVRGKCDEJP-KOLCDFICSA-N -1 0 449.363 -0.352 1 70 IBIFRM