smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C[NH+](CC(=O)[O-])CC(=O)[O-])c([O-])c(C[NH+](CC(=O)[O-])CC(=O)[O-])c1 ZINC000022114986 570306088 /nfs/dbraw/zinc/30/60/88/570306088.db2.gz OHQPBRGLFSUSFH-UHFFFAOYSA-N -3 1 398.368 -0.357 40 10 GBCBML