pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.12999999523163	QSARToolbox	2	1	C[NH2+]c1nc(-c2cc[nH+]cc2)cs1,C[NH2+]c1[nH+]c(-c2ccncc2)cs1	CNc1[nH+]c(-c2ccncc2)cs1,C[NH2+]c1nc(-c2ccncc2)cs1,CNc1nc(-c2cc[nH+]cc2)cs1	mol36564	CNc1nc(-c2ccncc2)cs1