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-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCN[C@@H]1CCS(=O)(=O)C1 ZINC000032809986 556395111 /nfs/dbraw/zinc/39/51/11/556395111.db2.gz UFOJENZNEKXOIL-CYBMUJFWSA-N 0 1 448.523 -0.196 50 5 IBBAMN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCN[C@H]1CCS(=O)(=O)C1 ZINC000032809987 556395086 /nfs/dbraw/zinc/39/50/86/556395086.db2.gz UFOJENZNEKXOIL-ZDUSSCGKSA-N 0 1 448.523 -0.196 50 5 IBBAMN