smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC000031490530 563108128 /nfs/dbraw/zinc/10/81/28/563108128.db2.gz GTDHNQNCXUYISG-QAETUUGQSA-N 2 1 495.629 -2.552 10 30 JAEEMP