pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.17000007629395	QSARToolbox	0	-1	C(CCc1nnn[nH]1)Cc1nnn[nH]1	C(CCc1nnn[nH]1)Cc1nnn[n-]1	mol25950	C(CCc1nnn[nH]1)Cc1nnn[nH]1
5.17	AttenGpKa training set	0	-1	C(CCc1nnn[nH]1)Cc1nnn[nH]1	C(CCc1nnn[nH]1)Cc1nnn[n-]1	mol25950	C(CCc1nnn[nH]1)Cc1nnn[nH]1
6.09	AttenGpKa training set	-1	-2	C(CCc1nnn[nH]1)Cc1nnn[n-]1	C(CCc1nnn[n-]1)Cc1nnn[n-]1	mol25950	C(CCc1nnn[nH]1)Cc1nnn[nH]1