The compound with the SMILES Nc1cc(N)c2c(c1N)C(=O)OC2=O has a nuclear repulsion energy at the PBE level of theory of 865.26602 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {nuclearRepulsionEnergy__names__noun} of {nuclearRepulsionEnergy#} {nuclearRepulsionEnergy__units}.