pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.73	AttenGpKa training set	1	0	[NH3+]c1ccc2ccc3cccnc3c2n1,Nc1ccc2ccc3ccc[nH+]c3c2n1,Nc1ccc2ccc3cccnc3c2[nH+]1	Nc1ccc2ccc3cccnc3c2n1	mol26599	Nc1ccc2ccc3cccnc3c2n1