smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC[NH+](C)CCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000001533877 395680978 /nfs/dbraw/zinc/68/09/78/395680978.db2.gz MPBVHIBUJCELCL-UHFFFAOYSA-N -3 2 319.231 0.500 50 0 fda DCAALL CCCCC[NH+](C)CCC(O)(P(=O)([O-])O)[P@](=O)([O-])O ZINC000001533877 395680979 /nfs/dbraw/zinc/68/09/79/395680979.db2.gz MPBVHIBUJCELCL-UHFFFAOYSA-N -3 2 319.231 0.500 50 0 fda DCAALL O=C([O-])CCCCCN(CP(=O)([O-])O)C[P@](=O)([O-])O ZINC000002904927 395682101 /nfs/dbraw/zinc/68/21/01/395682101.db2.gz GOXRTIAORBGHBR-UHFFFAOYSA-N -3 2 319.187 0.204 50 0 DCAALL O=C([O-])CCCCCN(CP(=O)([O-])O)C[P@@](=O)([O-])O ZINC000002904927 395682102 /nfs/dbraw/zinc/68/21/02/395682102.db2.gz GOXRTIAORBGHBR-UHFFFAOYSA-N -3 2 319.187 0.204 50 0 DCAALL