smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC[NH2+]CCCC[NH2+]CCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O ZINC000004654981 561695104 /nfs/dbraw/zinc/69/51/04/561695104.db2.gz SJLRBGDPTALRDM-QFIPXVFZSA-N 2 3 565.716 -0.899 10 0 in-vitro KBAEHP