smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000021991919 527647996 /nfs/dbraw/zinc/64/79/96/527647996.db2.gz JZUZJVFERQWLNC-HXUWFJFHSA-N -1 2 448.431 3.835 40 5 IHBBLM COc1cc([N+](=O)[O-])cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c1O ZINC000408632011 557422788 /nfs/dbraw/zinc/42/27/88/557422788.db2.gz CNFQPQNZLHIHMZ-VGOFMYFVSA-N -1 2 448.844 3.965 40 5 IHBBLM