pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Baltruschat ChEMBL	0	-1	Oc1nsc2c1CNCC2,[O-]c1nsc2c1C[NH2+]CC2	[O-]c1nsc2c1CNCC2	mol21113	Oc1nsc2c1CNCC2
6.1	Baltruschat ChEMBL	1	0	Oc1nsc2c1C[NH2+]CC2	Oc1nsc2c1CNCC2,[O-]c1nsc2c1C[NH2+]CC2	mol21113	Oc1nsc2c1CNCC2