pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.26	IUPAC digitized pKa	1	0	Cc1cccc2nc[nH+]cc12,Cc1cccc2[nH+]cncc12	Cc1cccc2ncncc12	mol4641	Cc1cccc2ncncc12
3.60999989509583	QSARToolbox	1	0	Cc1cccc2nc[nH+]cc12,Cc1cccc2[nH+]cncc12	Cc1cccc2ncncc12	mol4641	Cc1cccc2ncncc12
2.25999999046326	QSARToolbox	1	0	Cc1cccc2nc[nH+]cc12,Cc1cccc2[nH+]cncc12	Cc1cccc2ncncc12	mol4641	Cc1cccc2ncncc12
3.63	AttenGpKa training set	1	0	Cc1cccc2nc[nH+]cc12,Cc1cccc2[nH+]cncc12	Cc1cccc2ncncc12	mol4641	Cc1cccc2ncncc12