smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=S)S[C@@H]1[C@H](c1ccccc1)C(P(=O)([O-])O)[P@](=O)([O-])O ZINC000040425208 205065991 /nfs/dbraw/zinc/06/59/91/205065991.db2.gz PAKPYTXPIQPTMP-JGVFFNPUSA-N -2 2 397.307 0.968 1 10 GCCFLL O=C1NC(=S)S[C@@H]1[C@H](c1ccccc1)C(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000040425208 205065994 /nfs/dbraw/zinc/06/59/94/205065994.db2.gz PAKPYTXPIQPTMP-JGVFFNPUSA-N -2 2 397.307 0.968 1 10 GCCFLL O=C1NC(=S)S[C@H]1[C@H](c1ccccc1)C(P(=O)([O-])O)[P@](=O)([O-])O ZINC000040425212 205066159 /nfs/dbraw/zinc/06/61/59/205066159.db2.gz PAKPYTXPIQPTMP-YUMQZZPRSA-N -2 2 397.307 0.968 1 10 GCCFLL O=C1NC(=S)S[C@H]1[C@H](c1ccccc1)C(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000040425212 205066162 /nfs/dbraw/zinc/06/61/62/205066162.db2.gz PAKPYTXPIQPTMP-YUMQZZPRSA-N -2 2 397.307 0.968 1 10 GCCFLL O=C1NC(=S)S[C@@H]1[C@@H](c1ccccc1)C(P(=O)([O-])O)[P@](=O)([O-])O ZINC000040425210 205066230 /nfs/dbraw/zinc/06/62/30/205066230.db2.gz PAKPYTXPIQPTMP-HTQZYQBOSA-N -2 2 397.307 0.968 1 10 GCCFLL O=C1NC(=S)S[C@@H]1[C@@H](c1ccccc1)C(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000040425210 205066232 /nfs/dbraw/zinc/06/62/32/205066232.db2.gz PAKPYTXPIQPTMP-HTQZYQBOSA-N -2 2 397.307 0.968 1 10 GCCFLL