smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000174781446 484268259 /nfs/dbraw/zinc/26/82/59/484268259.db2.gz CFZWCZIZIXJYBT-ZDUSSCGKSA-N 1 1 373.377 -0.588 10 5 FBBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000174781454 485142281 /nfs/dbraw/zinc/14/22/81/485142281.db2.gz CFZWCZIZIXJYBT-CYBMUJFWSA-N 1 1 373.377 -0.588 10 5 FBBEMO