pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.85	Datawarrior	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	mol12818	CN1[C@H]2CC=C(C(=O)O)[C@@H]1CC2
3.93	Datawarrior	1	0	C[NH+]1[C@H]2CC=C(C(=O)O)[C@@H]1CC2	C[NH+]1[C@H]2CC=C(C(=O)[O-])[C@@H]1CC2	mol12818	CN1[C@H]2CC=C(C(=O)O)[C@@H]1CC2