pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.8500003814697	QSARToolbox	0	-1	C[NH+]1[C@@H]2CC=C(C(=O)[O-])[C@H]1CC2	CN1[C@@H]2CC=C(C(=O)[O-])[C@H]1CC2	mol36521	CN1[C@@H]2CC=C(C(=O)O)[C@H]1CC2
10.0500001907349	QSARToolbox	0	-1	C[NH+]1[C@@H]2CC=C(C(=O)[O-])[C@H]1CC2	CN1[C@@H]2CC=C(C(=O)[O-])[C@H]1CC2	mol36521	CN1[C@@H]2CC=C(C(=O)O)[C@H]1CC2