smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=C(C(=O)[O-])[C@H](c2ccc([N+](=O)[O-])o2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736750052 599989059 /nfs/dbraw/zinc/98/90/59/599989059.db2.gz HSLZEMAQTBSSTI-AWEZNQCLSA-N -2 0 381.341 2.258 20 5 GEBDRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000832468994 600690091 /nfs/dbraw/zinc/69/00/91/600690091.db2.gz ZKLFRTGHXXKYNP-UHFFFAOYSA-N -2 0 397.321 2.011 20 5 GEBDRL Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000471126824 602112916 /nfs/dbraw/zinc/11/29/16/602112916.db2.gz DYIXMGXYEOWPDD-UHFFFAOYSA-N -3 0 380.334 2.100 20 5 GEBDRL O=C([O-])N1CCc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000740530556 602490881 /nfs/dbraw/zinc/49/08/81/602490881.db2.gz SAHDOBQKQWNVPG-UHFFFAOYSA-N -2 0 377.378 2.432 20 5 GEBDRL C[C@H](CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])NC(=O)[O-] 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