pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.16	IUPAC digitized pKa	1	0	N#CC[C@@H]1Nc2nc[nH+]cc2N=C1O,N#CC[C@@H]1[NH2+]c2ncncc2N=C1O,N#CC[C@@H]1Nc2ncncc2[NH+]=C1O,N#CC[C@@H]1Nc2[nH+]cncc2N=C1O	N#CC[C@@H]1Nc2ncncc2N=C1O	mol4751	N#CCC1Nc2ncncc2N=C1O
9.91	IUPAC digitized pKa	-1	-2	N#CC[C@@H]1Nc2ncncc2N=C1[O-]	N#CC[C@@H]1[N-]c2ncncc2N=C1[O-]	mol4751	N#CCC1Nc2ncncc2N=C1O