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-])Cn1cc(NC(=O)c2cc(S(=O)(=O)F)c[n-]2)cn1 ZINC001606339698 973774179 /nfs/dbraw/zinc/77/41/79/973774179.db2.gz XBEVDDCHLZFNBK-UHFFFAOYSA-N -2 0 316.270 0.206 20 70 DCIDRL O=C([O-])c1c[nH]nc1NC(=O)c1cc(S(=O)(=O)F)c[n-]1 ZINC001594817033 953872016 /nfs/dbraw/zinc/87/20/16/953872016.db2.gz PFRYERXAMVJZGS-UHFFFAOYSA-N -2 0 302.243 0.347 20 70 DCIDRL O=C([O-])c1n[nH]cc1NC(=O)c1cc(S(=O)(=O)F)c[n-]1 ZINC001601580763 971026461 /nfs/dbraw/zinc/02/64/61/971026461.db2.gz RLMMUNDRNWJZCG-UHFFFAOYSA-N -2 0 302.243 0.347 20 70 DCIDRL O=C([O-])c1cc(NC(=O)c2cc(S(=O)(=O)F)c[n-]2)[nH]n1 ZINC001574791351 957814839 /nfs/dbraw/zinc/81/48/39/957814839.db2.gz YEGAMIFXOSSIHU-UHFFFAOYSA-N -2 0 302.243 0.347 20 70 DCIDRL