smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)N(Cc2nn[n-]n2)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000020407195 212125287 /nfs/dbraw/zinc/12/52/87/212125287.db2.gz PDUIAEGMCWAKJP-UHFFFAOYSA-N -1 1 343.281 -0.201 10 5 EBBEMM