smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(/C=C(\c2nc3ccccc3s2)C(P(=O)([O-])O)[P@](=O)([O-])O)cc1 ZINC000040956739 563160934 /nfs/dbraw/zinc/16/09/34/563160934.db2.gz XRMZTRNNTLSGLV-FMIVXFBMSA-N -2 2 456.309 3.427 1 5 JGBFLL O=[N+]([O-])c1ccc(/C=C(\c2nc3ccccc3s2)C(P(=O)([O-])O)[P@@](=O)([O-])O)cc1 ZINC000040956739 563160935 /nfs/dbraw/zinc/16/09/35/563160935.db2.gz XRMZTRNNTLSGLV-FMIVXFBMSA-N -2 2 456.309 3.427 1 5 JGBFLL O=[N+]([O-])c1ccccc1/C=C(\c1nc2ccccc2s1)C(P(=O)([O-])O)[P@](=O)([O-])O ZINC000040974581 563161775 /nfs/dbraw/zinc/16/17/75/563161775.db2.gz LIQPVGGINMOKOW-PKNBQFBNSA-N -2 2 456.309 3.427 1 5 JGBFLL O=[N+]([O-])c1ccccc1/C=C(\c1nc2ccccc2s1)C(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000040974581 563161777 /nfs/dbraw/zinc/16/17/77/563161777.db2.gz LIQPVGGINMOKOW-PKNBQFBNSA-N -2 2 456.309 3.427 1 5 JGBFLL