smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ncnc2c1ncn2[C@@H](C=O)O[C@@H](C=O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O ZINC000025781612 553813561 /nfs/dbraw/zinc/81/35/61/553813561.db2.gz ZOSTZYMLOPBGQI-NKWVEPMBSA-N -3 1 505.166 -0.967 50 30 KBEAML Nc1ncnc2c1ncn2[C@@H](C=O)O[C@@H](C=O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O ZINC000025781612 553813559 /nfs/dbraw/zinc/81/35/59/553813559.db2.gz ZOSTZYMLOPBGQI-NKWVEPMBSA-N -3 1 505.166 -0.967 50 30 KBEAML O=C1c2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2[N-]C1=C1[N-]c2c(cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C1=O ZINC000100125943 554224978 /nfs/dbraw/zinc/22/49/78/554224978.db2.gz PFGCFTSBVNIOSI-BUHFOSPRSA-N -6 1 582.524 -0.198 50 30 KBEAML