pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.32	IUPAC digitized pKa	1	0	COc1cccc2nc[nH+]cc12,COc1cccc2[nH+]cncc12	COc1cccc2ncncc12	mol4635	COc1cccc2ncncc12
3.39000010490417	QSARToolbox	1	0	COc1cccc2nc[nH+]cc12,COc1cccc2[nH+]cncc12	COc1cccc2ncncc12	mol4635	COc1cccc2ncncc12
2.3199999332428	QSARToolbox	1	0	COc1cccc2nc[nH+]cc12,COc1cccc2[nH+]cncc12	COc1cccc2ncncc12	mol4635	COc1cccc2ncncc12
3.41	AttenGpKa training set	1	0	COc1cccc2nc[nH+]cc12,COc1cccc2[nH+]cncc12	COc1cccc2ncncc12	mol4635	COc1cccc2ncncc12