pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.76	IUPAC digitized pKa	1	0	CC(C)c1nc[nH+]c2ccccc12,CC(C)c1[nH+]cnc2ccccc12	CC(C)c1ncnc2ccccc12	mol7915	CC(C)c1ncnc2ccccc12
3.01	IUPAC digitized pKa	1	0	CC(C)c1nc[nH+]c2ccccc12,CC(C)c1[nH+]cnc2ccccc12	CC(C)c1ncnc2ccccc12	mol7915	CC(C)c1ncnc2ccccc12
2.885	OCHEM	1	0	CC(C)c1nc[nH+]c2ccccc12,CC(C)c1[nH+]cnc2ccccc12	CC(C)c1ncnc2ccccc12	mol7915	CC(C)c1ncnc2ccccc12
2.75999999046326	QSARToolbox	1	0	CC(C)c1nc[nH+]c2ccccc12,CC(C)c1[nH+]cnc2ccccc12	CC(C)c1ncnc2ccccc12	mol7915	CC(C)c1ncnc2ccccc12
3.09999990463257	QSARToolbox	1	0	CC(C)c1nc[nH+]c2ccccc12,CC(C)c1[nH+]cnc2ccccc12	CC(C)c1ncnc2ccccc12	mol7915	CC(C)c1ncnc2ccccc12