smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCCO[NH+]=C(N)N)c2=O)c1 ZINC000034754303 563087086 /nfs/dbraw/zinc/08/70/86/563087086.db2.gz GHCPCZIUEYRYJT-UHFFFAOYSA-N 1 1 436.494 -0.413 10 30 IBEEMO