smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000045945339 525153607 /nfs/dbraw/zinc/15/36/07/525153607.db2.gz IZZWWKUKFOFGMZ-UHFFFAOYSA-N 2 2 423.583 -0.108 10 0 HBAELP