pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.29	IUPAC digitized pKa	1	0	COc1cc(N[C@H](C)CCC[NH2+]C(C)C)c2ncccc2c1	COc1cc(N[C@H](C)CCCNC(C)C)c2ncccc2c1	mol4430	COc1cc(NC(C)CCCNC(C)C)c2ncccc2c1