pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.24	IUPAC digitized pKa	1	0	Cc1cccc2c(N)c3ccccc3[nH+]c12,Cc1cccc2c([NH3+])c3ccccc3nc12	Cc1cccc2c(N)c3ccccc3nc12	mol8372	Cc1cccc2c(N)c3ccccc3nc12
10.2	AttenGpKa training set	1	0	Cc1cccc2c(N)c3ccccc3[nH+]c12,Cc1cccc2c([NH3+])c3ccccc3nc12	Cc1cccc2c(N)c3ccccc3nc12	mol8372	Cc1cccc2c(N)c3ccccc3nc12
1.24000000953674	QSARToolbox	2	1	Cc1cccc2c([NH3+])c3ccccc3[nH+]c12	Cc1cccc2c(N)c3ccccc3[nH+]c12,Cc1cccc2c([NH3+])c3ccccc3nc12	mol8372	Cc1cccc2c(N)c3ccccc3nc12