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(CO[P@](=O)([O-])O)[N-]S(=O)(=O)c1ccccc1 ZINC000028564354 348107387 /nfs/dbraw/zinc/10/73/87/348107387.db2.gz WMMLULMJUIHKNA-UHFFFAOYSA-N -2 2 295.209 0.441 10 30 CCEELL O=C(CO[P@@](=O)([O-])O)[N-]S(=O)(=O)c1ccccc1 ZINC000028564354 348107389 /nfs/dbraw/zinc/10/73/89/348107389.db2.gz WMMLULMJUIHKNA-UHFFFAOYSA-N -2 2 295.209 0.441 10 30 CCEELL C#CCCCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000584607198 359180048 /nfs/dbraw/zinc/18/00/48/359180048.db2.gz GOALYXDOSUQIFK-UHFFFAOYSA-N -2 2 272.130 0.182 10 30 CCEELL C#CCCCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O ZINC000584607198 359180053 /nfs/dbraw/zinc/18/00/53/359180053.db2.gz GOALYXDOSUQIFK-UHFFFAOYSA-N -2 2 272.130 0.182 10 30 CCEELL O=P([O-])(O)C(CSCCCS)[P@](=O)([O-])O ZINC000142346875 350456954 /nfs/dbraw/zinc/45/69/54/350456954.db2.gz WLEJYCOZPCSSNA-UHFFFAOYSA-N -2 2 296.243 0.721 10 30 CCEELL O=P([O-])(O)C(CSCCCS)[P@@](=O)([O-])O ZINC000142346875 350456958 /nfs/dbraw/zinc/45/69/58/350456958.db2.gz WLEJYCOZPCSSNA-UHFFFAOYSA-N -2 2 296.243 0.721 10 30 CCEELL