pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.82	IUPAC digitized pKa	1	0	Cc1[nH+]c(C(C)(C)C)nc2ccccc12,Cc1nc(C(C)(C)C)[nH+]c2ccccc12	Cc1nc(C(C)(C)C)nc2ccccc12	mol7845	Cc1nc(C(C)(C)C)nc2ccccc12
3.8199999332428	QSARToolbox	1	0	Cc1[nH+]c(C(C)(C)C)nc2ccccc12,Cc1nc(C(C)(C)C)[nH+]c2ccccc12	Cc1nc(C(C)(C)C)nc2ccccc12	mol7845	Cc1nc(C(C)(C)C)nc2ccccc12