pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Baltruschat ChEMBL	0	-1	Oc1nsc2c1CCNC2,[O-]c1nsc2c1CC[NH2+]C2	[O-]c1nsc2c1CCNC2	mol21115	Oc1nsc2c1CCNC2
6.1	Baltruschat ChEMBL	1	0	Oc1nsc2c1CC[NH2+]C2	Oc1nsc2c1CCNC2,[O-]c1nsc2c1CC[NH2+]C2	mol21115	Oc1nsc2c1CCNC2