smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)N[C@@H](Cc1cncn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000071788017 559149022 /nfs/dbraw/zinc/14/90/22/559149022.db2.gz AHBPKGJUEPOXHK-LBPRGKRZSA-N -1 0 421.366 2.209 10 5 HEBERM