smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1O)[C@@H]1CCNC1=O ZINC000758401568 593402898 /nfs/dbraw/zinc/40/28/98/593402898.db2.gz QPKNJQBVQZLNQM-OAHLLOKOSA-N -2 2 340.379 1.649 20 10 EDCDLL C[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1O)[C@H]1CCNC1=O ZINC000758401566 593403064 /nfs/dbraw/zinc/40/30/64/593403064.db2.gz QPKNJQBVQZLNQM-HNNXBMFYSA-N -2 2 340.379 1.649 20 10 EDCDLL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)s1 ZINC000833323356 594827168 /nfs/dbraw/zinc/82/71/68/594827168.db2.gz GEWTUJDYXPFJHT-UHFFFAOYSA-N -2 2 343.338 1.651 20 10 EDCDLL