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(O[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC000013550850 560219786 /nfs/dbraw/zinc/21/97/86/560219786.db2.gz ULWWOIRVCLMNOB-YBXAARCKSA-N -1 2 381.230 -1.110 40 5 in-vitro GABBLM O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC000013550850 560219784 /nfs/dbraw/zinc/21/97/84/560219784.db2.gz ULWWOIRVCLMNOB-YBXAARCKSA-N -1 2 381.230 -1.110 40 5 in-vitro GABBLM