The molecular species with the SMILES representation of O=C(O)C1=C(C(=O)O)C2=CC=CNC2=CN1 has a cavity formation energy at the PBE level of theory of 5.051 kT.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {cavityEnergy__names__noun} of {cavityEnergy#} {cavityEnergy__units}.