smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1 ZINC000753014512 574823053 /nfs/dbraw/zinc/82/30/53/574823053.db2.gz AEBMNMWCAAKJAY-UHFFFAOYSA-N -2 1 331.365 3.193 10 10 EGCEML O=C(NCc1cccc(Cl)c1[O-])c1ccc2oc(=S)[n-]c2c1 ZINC001159041334 1381538427 /nfs/dbraw/zinc/53/84/27/1381538427.db2.gz IQDQJOOJELTNIT-UHFFFAOYSA-N -2 1 334.784 3.406 10 10 EGCEML Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000225613541 1296137463 /nfs/dbraw/zinc/13/74/63/1296137463.db2.gz KIDHDORLHYTLKK-UHFFFAOYSA-N -2 1 339.225 3.265 10 10 EGCEML