pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.550000011920929	QSARToolbox	2	1	COc1ccc(C(=[OH+])N(C)CC[NH2+]c2ccccc2)cc1	COc1ccc(C(=O)N(C)CC[NH2+]c2ccccc2)cc1,COc1ccc(C(=[OH+])N(C)CCNc2ccccc2)cc1	mol34500	COc1ccc(C(=O)N(C)CCNc2ccccc2)cc1