smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@@H+](Cc1ccccc1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000552438982 334327603 /nfs/dbraw/zinc/32/76/03/334327603.db2.gz RPEHZLWSBDBKMG-HNNXBMFYSA-N 1 1 298.386 4.568 20 5 CJBDMO CCC[N@@H+](Cc1ccccc1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000552438983 334327562 /nfs/dbraw/zinc/32/75/62/334327562.db2.gz RPEHZLWSBDBKMG-OAHLLOKOSA-N 1 1 298.386 4.568 20 5 CJBDMO