pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	OCHEM	1	0	CNc1nc[nH+]c2c1cnn2Cc1ccccc1F,CNc1ncnc2c1c[nH+]n2Cc1ccccc1F,C[NH2+]c1ncnc2c1cnn2Cc1ccccc1F,CNc1[nH+]cnc2c1cnn2Cc1ccccc1F	CNc1ncnc2c1cnn2Cc1ccccc1F	mol18209	CNc1ncnc2c1cnn2Cc1ccccc1F