pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.66	IUPAC digitized pKa	1	0	C[NH+](C)Cc1ccncc1	CN(C)Cc1ccncc1	mol3690	CN(C)Cc1ccncc1
7.65999984741211	QSARToolbox	1	0	C[NH+](C)Cc1ccncc1	CN(C)Cc1ccncc1	mol3690	CN(C)Cc1ccncc1
7.7	AttenGpKa training set	1	0	C[NH+](C)Cc1ccncc1	CN(C)Cc1ccncc1	mol3690	CN(C)Cc1ccncc1
3.39	IUPAC digitized pKa	2	1	C[NH+](C)Cc1cc[nH+]cc1	C[NH+](C)Cc1ccncc1	mol3690	CN(C)Cc1ccncc1
3.39000010490417	QSARToolbox	2	1	C[NH+](C)Cc1cc[nH+]cc1	C[NH+](C)Cc1ccncc1	mol3690	CN(C)Cc1ccncc1
3.45	AttenGpKa training set	2	1	C[NH+](C)Cc1cc[nH+]cc1	C[NH+](C)Cc1ccncc1	mol3690	CN(C)Cc1ccncc1