pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.18	AttenGpKa training set	0	-1	N=C(N)Nc1ccccc1	[N-]=C(N)Nc1ccccc1	mol5790	N=C(N)Nc1ccccc1
10.77	IUPAC digitized pKa	1	0	NC(=[NH2+])Nc1ccccc1	N=C(N)Nc1ccccc1	mol5790	N=C(N)Nc1ccccc1
11.0	IUPAC digitized pKa	1	0	NC(=[NH2+])Nc1ccccc1	N=C(N)Nc1ccccc1	mol5790	N=C(N)Nc1ccccc1
10.79	Datawarrior	1	0	NC(=[NH2+])Nc1ccccc1	N=C(N)Nc1ccccc1	mol5790	N=C(N)Nc1ccccc1
10.9	OCHEM	1	0	NC(=[NH2+])Nc1ccccc1	N=C(N)Nc1ccccc1	mol5790	N=C(N)Nc1ccccc1
10.8	OCHEM	1	0	NC(=[NH2+])Nc1ccccc1	N=C(N)Nc1ccccc1	mol5790	N=C(N)Nc1ccccc1
10.88	Baltruschat ChEMBL	1	0	NC(=[NH2+])Nc1ccccc1	N=C(N)Nc1ccccc1	mol5790	N=C(N)Nc1ccccc1