pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42000007629395	QSARToolbox	0	-1	C(Cc1nnn[nH]1)c1nnn[nH]1	C(Cc1nnn[nH]1)c1nnn[n-]1	mol25893	C(Cc1nnn[nH]1)c1nnn[nH]1
4.42	AttenGpKa training set	0	-1	C(Cc1nnn[nH]1)c1nnn[nH]1	C(Cc1nnn[nH]1)c1nnn[n-]1	mol25893	C(Cc1nnn[nH]1)c1nnn[nH]1
5.74	AttenGpKa training set	-1	-2	C(Cc1nnn[nH]1)c1nnn[n-]1	C(Cc1nnn[n-]1)c1nnn[n-]1	mol25893	C(Cc1nnn[nH]1)c1nnn[nH]1