smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000032106548 553862719 /nfs/dbraw/zinc/86/27/19/553862719.db2.gz SSEDEHZVBQTFEO-RUZDIDTESA-N -2 1 506.628 4.236 10 10 KICEML