pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.13	Datawarrior	1	0	COc1ccc(Cl)c2ccc[nH+]c12	COc1ccc(Cl)c2cccnc12	mol13813	COc1ccc(Cl)c2cccnc12
4.1300001	OCHEM	1	0	COc1ccc(Cl)c2ccc[nH+]c12	COc1ccc(Cl)c2cccnc12	mol13813	COc1ccc(Cl)c2cccnc12
4.13000011444092	QSARToolbox	1	0	COc1ccc(Cl)c2ccc[nH+]c12	COc1ccc(Cl)c2cccnc12	mol13813	COc1ccc(Cl)c2cccnc12