The chemical compound with the SMILES OC1=C(O)NC2=C(O)NC=CC2=C1 has an aqueous phase molecular energy at the PBE level of theory of -644.11438 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has an {solutionEnergy__names__noun} of {solutionEnergy#} {solutionEnergy__units}.