smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000080023676 542559210 /nfs/dbraw/zinc/55/92/10/542559210.db2.gz UQZRDPKPLVLISL-JOYOIKCWSA-N -2 1 352.437 2.393 10 10 FECEML C[C@@H]1C[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000080023665 542559259 /nfs/dbraw/zinc/55/92/59/542559259.db2.gz UQZRDPKPLVLISL-SKDRFNHKSA-N -2 1 352.437 2.393 10 10 FECEML C[C@H]1C[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000080023668 542559280 /nfs/dbraw/zinc/55/92/80/542559280.db2.gz UQZRDPKPLVLISL-CABZTGNLSA-N -2 1 352.437 2.393 10 10 FECEML