smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [N-]=[N+]=N[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H]1O ZINC000031490113 563083418 /nfs/dbraw/zinc/08/34/18/563083418.db2.gz JPDZOZSNEDHGDF-XVFCMESISA-N -2 1 429.175 -1.300 1 10 in-vitro IACFML [N-]=[N+]=N[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H]1O ZINC000031490113 563083416 /nfs/dbraw/zinc/08/34/16/563083416.db2.gz JPDZOZSNEDHGDF-XVFCMESISA-N -2 1 429.175 -1.300 1 10 in-vitro IACFML