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-])[C@H]1C[C@@H]([P@@](=O)([O-])O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240894 559067902 /nfs/dbraw/zinc/06/79/02/559067902.db2.gz KIIWXTBVLUMNBM-KZULUSFZSA-N -2 1 417.354 2.641 10 0 HFAEML O=C([O-])[C@@H]1C[C@H]([P@@](=O)([O-])O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240895 559067922 /nfs/dbraw/zinc/06/79/22/559067922.db2.gz KIIWXTBVLUMNBM-SGTLLEGYSA-N -2 1 417.354 2.641 10 0 HFAEML COc1ccc(S(=O)(=O)[N-]c2cnc(N3CCCC3)c(C(=O)[O-])c2)cc1Cl ZINC000035397459 569034859 /nfs/dbraw/zinc/03/48/59/569034859.db2.gz UAWOESJRQLFVAT-UHFFFAOYSA-N -2 1 411.867 2.843 10 0 HFAEML O=C([O-])[C@@H]1C[C@@H]([P@@](=O)([O-])O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240896 559067891 /nfs/dbraw/zinc/06/78/91/559067891.db2.gz KIIWXTBVLUMNBM-XIKOKIGWSA-N -2 1 417.354 2.641 10 0 HFAEML O=C([O-])[C@H]1C[C@H]([P@@](=O)([O-])O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240893 559067913 /nfs/dbraw/zinc/06/79/13/559067913.db2.gz KIIWXTBVLUMNBM-KPZWWZAWSA-N -2 1 417.354 2.641 10 0 HFAEML