smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCN1c2ccccc2C(=NNC(=O)C[N+](C)(C)C)C1=O ZINC000744578753 717188980 /nfs/dbraw/zinc/18/89/80/717188980.db2.gz XSBZMPCXNNXDOS-UHFFFAOYSA-O 2 0 360.482 0.902 20 50 FCGDRP