"61.77" . "43.69" . "-2" . "HANSCH,C ET AL. (1995); ion-corrected" . "152.991819853" . "NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](S)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@H](O)[C@H]1O" . "ChemAxon" . "45.18" . "ALOGPS" . "-0.27" . "3.29" . "106.5" . "2" . "1" . "(3R)-3-{[(3S)-2,4-dioxo-3H-1-benzopyran-3-yl]methyl}-3H-1-benzopyran-2,4-dione" . "C11H14N4O4" . "373.203323628" . "104.11" . "7" .