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+][C@@H](CCCN(CCC[NH3+])CCC[NH3+])C(=O)[O-] ZINC000038296771 375550908 /nfs/dbraw/zinc/55/09/08/375550908.db2.gz CBEFEEGIAIVVEY-ZDUSSCGKSA-N 2 3 303.451 -0.842 10 0 DBAEHP NC(CC(=O)NCCCCC[NH3+])CC(=O)NCCCCC[NH3+] ZINC000225811330 376022211 /nfs/dbraw/zinc/02/22/11/376022211.db2.gz UXDPPXKWZDJGJM-UHFFFAOYSA-N 2 3 315.462 -0.416 10 0 DBAEHP