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-])N(COCC(Cl)([N+](=O)[O-])[N+](=O)[O-])COCC(Cl)([N+](=O)[O-])[N+](=O)[O-] ZINC000103535149 557437906 /nfs/dbraw/zinc/43/79/06/557437906.db2.gz ODUFVGZJCUBSAC-UHFFFAOYSA-N 0 0 427.066 -0.680 10 5 IBBERN