The molecular species with the SMILES representation of NC1=CC=C2C(N)=CNC=C2N1 has an aqueous phase molecular energy at the PBE level of theory of -639.83742 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}.