smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000362286094 446306204 /nfs/dbraw/zinc/30/62/04/446306204.db2.gz MFYRRCYGWTVMHG-GFCCVEGCSA-N -2 0 344.345 1.604 20 5 EDBDRL O=C([O-])CCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000739777874 579249563 /nfs/dbraw/zinc/24/95/63/579249563.db2.gz RYMZFMNRWMJOQK-UHFFFAOYSA-N -2 0 340.292 1.855 20 5 EDBDRL O=C([O-])CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000340453367 142396559 /nfs/dbraw/zinc/39/65/59/142396559.db2.gz FRIHQJBUJQNAPY-UHFFFAOYSA-N -2 0 343.144 1.655 20 5 EDBDRL Cn1cc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000336875582 444821352 /nfs/dbraw/zinc/82/13/52/444821352.db2.gz JBKALGFSXDNRHO-UHFFFAOYSA-N -2 0 343.292 1.571 20 5 EDBDRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000362281500 446303552 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