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(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)c[nH]1 ZINC000751267426 1069602840 /nfs/dbraw/zinc/60/28/40/1069602840.db2.gz HXQWKSFQRCYDQK-UHFFFAOYSA-N -3 1 490.346 3.621 20 10 JHCDML Cc1ccc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3cccc(F)c3F)cc2)cc1[N+](=O)[O-] ZINC000751260222 1069596828 /nfs/dbraw/zinc/59/68/28/1069596828.db2.gz BDDZZJVCXRVPLC-UHFFFAOYSA-N -2 1 483.474 3.783 20 10 JHCDML