pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.28	SAMPL6	1	0	Cl.Clc1cccc([NH2+]c2ncnc3ccccc23)c1,Cl.Clc1cccc(Nc2nc[nH+]c3ccccc23)c1,Cl.Clc1cccc(Nc2[nH+]cnc3ccccc23)c1	Cl.Clc1cccc(Nc2ncnc3ccccc23)c1	SM12	Cl.Clc1cccc(Nc2ncnc3ccccc23)c1