smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(CNC(=O)C3CC[NH+](Cc4ccc(Cl)cc4F)CC3)cc2)CC1 ZINC000225589031 570008071 /nfs/dbraw/zinc/00/80/71/570008071.db2.gz WEFIYCLTHLVSQA-UHFFFAOYSA-N 2 1 459.009 3.759 40 10 JHCBMP