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-])Cc1cc(-c2nc3ccccc3[nH]2)c([O-])c(-c2cccc([N+](=O)[O-])c2)c1 ZINC000014953799 207033950 /nfs/dbraw/zinc/03/39/50/207033950.db2.gz CIPMQPTWGWCBLF-UHFFFAOYSA-N -2 3 389.367 4.138 1 5 GIBFHL