pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Baltruschat ChEMBL	0	-1	[O-]c1noc2c1CC[NH2+]C2	[O-]c1noc2c1CCNC2	mol16718	Oc1noc2c1CCNC2
4.4	Baltruschat ChEMBL	1	0	Oc1noc2c1CC[NH2+]C2	[O-]c1noc2c1CC[NH2+]C2	mol16718	Oc1noc2c1CCNC2