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[N+]([O-])(CC(=O)[O-])C[P@@](=O)([O-])O ZINC000034614699 717124581 /nfs/dbraw/zinc/12/45/81/717124581.db2.gz BCRPCQAGHRADNX-UHFFFAOYSA-N -3 1 243.108 -1.395 10 30 BAEEML O=C([O-])C[N+]([O-])(CC(=O)[O-])C[P@](=O)([O-])O ZINC000034614699 717124578 /nfs/dbraw/zinc/12/45/78/717124578.db2.gz BCRPCQAGHRADNX-UHFFFAOYSA-N -3 1 243.108 -1.395 10 30 BAEEML NC(N)=NC(=O)NCCOCP(=O)([O-])[O-] ZINC000040893081 181323180 /nfs/dbraw/zinc/32/31/80/181323180.db2.gz SBNCHLFQTRZRQQ-UHFFFAOYSA-N -2 1 240.156 -1.879 10 30 BAEEML