pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0	Datawarrior	1	0	CC(C)(C)C(=O)n1c[nH+]c2ccccc21	CC(C)(C)C(=O)n1cnc2ccccc21	mol15734	CC(C)(C)C(=O)n1cnc2ccccc21