pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.15	Baltruschat ChEMBL	0	-1	CC1=NN(c2ccc(OCCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc2)C(=O)C1	Cc1[cH-]c(=O)n(-c2ccc(OCCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc2)n1	mol16400	CC1=NN(c2ccc(OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])cc2)C(=O)C1