smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)CCCC[NH3+] ZINC000301320028 572143696 /nfs/dbraw/zinc/14/36/96/572143696.db2.gz KDFWHZAYRPQZGT-XWGVYQGASA-N 2 3 573.739 0.723 10 0 KCAEHP