pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.47	Datawarrior	0	-1	C=C(C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(N)=O	C=C(C)[C@H]1CN[C@H](C(=O)[O-])[C@H]1CC(N)=O	mol14310	C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(N)=O
2.01	Datawarrior	1	0	C=C(C)[C@H]1C[NH2+][C@H](C(=O)O)[C@H]1CC(N)=O	C=C(C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(N)=O	mol14310	C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(N)=O