pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.99	OCHEM	1	0	C[N+](C)(C)CC(=O)O	C[N+](C)(C)CC(=O)[O-]	mol22222	C[N+](C)(C)CC(=O)O
2.38000011444092	QSARToolbox	1	0	C[N+](C)(C)CC(=O)O	C[N+](C)(C)CC(=O)[O-]	mol22222	C[N+](C)(C)CC(=O)O
1.99000000953674	QSARToolbox	1	0	C[N+](C)(C)CC(=O)O	C[N+](C)(C)CC(=O)[O-]	mol22222	C[N+](C)(C)CC(=O)O
2.80999994277954	QSARToolbox	1	0	C[N+](C)(C)CC(=O)O	C[N+](C)(C)CC(=O)[O-]	mol22222	C[N+](C)(C)CC(=O)O
1.775	AttenGpKa training set	1	0	C[N+](C)(C)CC(=O)O	C[N+](C)(C)CC(=O)[O-]	mol22222	C[N+](C)(C)CC(=O)O