smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N-]c2nc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3o2)c([N+](=O)[O-])cc1C ZINC000012532678 556003745 /nfs/dbraw/zinc/00/37/45/556003745.db2.gz LOCZDNWVSAXDCO-UHFFFAOYSA-N -2 1 472.910 5.551 50 5 JKBAML