pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	Baltruschat ChEMBL	1	0	Cc1[nH]c2ccc(OC3CC[NH+](C(C)C)CC3)cc2c1C(=O)N1CCOCC1	Cc1[nH]c2ccc(OC3CCN(C(C)C)CC3)cc2c1C(=O)N1CCOCC1	mol19187	Cc1[nH]c2ccc(OC3CCN(C(C)C)CC3)cc2c1C(=O)N1CCOCC1