pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	OCHEM	1	0	O=c1cc(-c2ccccc2)c2ccccc2n1C[C@@H]1C[NH2+]CCO1	O=c1cc(-c2ccccc2)c2ccccc2n1C[C@@H]1CNCCO1	mol19723	O=c1cc(-c2ccccc2)c2ccccc2n1CC1CNCCO1