pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.718	OCHEM	0	-1	COc1ccc2c(c1)c(=O)c(C(=O)O)cn2C[C@@H](O)Cn1c([N+](=O)[O-])cnc1C	COc1ccc2c(c1)c(=O)c(C(=O)[O-])cn2C[C@@H](O)Cn1c([N+](=O)[O-])cnc1C	mol17200	COc1ccc2c(c1)c(=O)c(C(=O)O)cn2CC(O)Cn1c([N+](=O)[O-])cnc1C