pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.13	IUPAC digitized pKa	1	0	COc1cc(NCCCC[C@@H](C)[NH2+]C(C)C)c2ncccc2c1	COc1cc(NCCCC[C@@H](C)NC(C)C)c2ncccc2c1	mol4431	COc1cc(NCCCCC(C)NC(C)C)c2ncccc2c1