pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.7	Datawarrior	1	0	Clc1ccc(-c2c[nH+]c(-c3ccccc3)o2)cc1	Clc1ccc(-c2cnc(-c3ccccc3)o2)cc1	mol14843	Clc1ccc(-c2cnc(-c3ccccc3)o2)cc1
0.69999999	OCHEM	1	0	Clc1ccc(-c2c[nH+]c(-c3ccccc3)o2)cc1	Clc1ccc(-c2cnc(-c3ccccc3)o2)cc1	mol14843	Clc1ccc(-c2cnc(-c3ccccc3)o2)cc1
0.699999988079071	QSARToolbox	1	0	Clc1ccc(-c2c[nH+]c(-c3ccccc3)o2)cc1	Clc1ccc(-c2cnc(-c3ccccc3)o2)cc1	mol14843	Clc1ccc(-c2cnc(-c3ccccc3)o2)cc1