pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.46	Datawarrior	0	-1	OCc1nc2cc(Cl)ccc2[nH]1	OCc1nc2cc(Cl)ccc2[n-]1	mol12789	OCc1nc2cc(Cl)ccc2[nH]1
11.460000038147	QSARToolbox	0	-1	OCc1nc2cc(Cl)ccc2[nH]1	OCc1nc2cc(Cl)ccc2[n-]1	mol12789	OCc1nc2cc(Cl)ccc2[nH]1
4.63	Datawarrior	1	0	OCc1[nH]c2ccc(Cl)cc2[nH+]1	OCc1nc2cc(Cl)ccc2[nH]1	mol12789	OCc1nc2cc(Cl)ccc2[nH]1
4.6300001	OCHEM	1	0	OCc1[nH]c2ccc(Cl)cc2[nH+]1	OCc1nc2cc(Cl)ccc2[nH]1	mol12789	OCc1nc2cc(Cl)ccc2[nH]1