pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.7	Datawarrior	1	0	c1ccc(-c2[nH+]c3ccccc3s2)cc1	c1ccc(-c2nc3ccccc3s2)cc1	mol15813	c1ccc(-c2nc3ccccc3s2)cc1
0.69999999	OCHEM	1	0	c1ccc(-c2[nH+]c3ccccc3s2)cc1	c1ccc(-c2nc3ccccc3s2)cc1	mol15813	c1ccc(-c2nc3ccccc3s2)cc1
0.699999988079071	QSARToolbox	1	0	c1ccc(-c2[nH+]c3ccccc3s2)cc1	c1ccc(-c2nc3ccccc3s2)cc1	mol15813	c1ccc(-c2nc3ccccc3s2)cc1