smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1Cl ZINC000775286467 656621921 /nfs/dbraw/zinc/62/19/21/656621921.db2.gz TUFGBYXZMYGXQT-UHFFFAOYSA-N -2 2 386.769 2.761 20 10 GFCDLL O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000758163359 655924738 /nfs/dbraw/zinc/92/47/38/655924738.db2.gz RAAFBWXBRLEPPO-UHFFFAOYSA-N -2 2 378.189 2.904 20 10 GFCDLL O=C([O-])c1cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(Cl)cc1F ZINC000775285841 656621269 /nfs/dbraw/zinc/62/12/69/656621269.db2.gz FQGMCCVNUPQNIQ-UHFFFAOYSA-N -2 2 390.732 2.592 20 10 GFCDLL