pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	IUPAC digitized pKa	1	0	CC1(C)CC[NH+]=C2c3nc[nH]c3N=CN21	CC1(C)CCN=C2c3nc[nH]c3N=CN21	mol11242	CC1(C)CCN=C2c3nc[nH]c3N=CN21