pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	SAMPL8	1	0	CC(C)(C)OC(=O)NCc1[nH]c2ccccc2[nH+]1	CC(C)(C)OC(=O)NCc1nc2ccccc2[nH]1	SAMPL8-16	CC(C)(C)OC(=O)NCc1nc2ccccc2[nH]1