pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.89	SAMPL6	1	0	Nc1nc[nH+]c2c1cnn2-c1ccccc1,Nc1ncnc2c1c[nH+]n2-c1ccccc1,Nc1[nH+]cnc2c1cnn2-c1ccccc1,[NH3+]c1ncnc2c1cnn2-c1ccccc1	Nc1ncnc2c1cnn2-c1ccccc1	SM11	Nc1ncnc2c1cnn2-c1ccccc1