pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.95	AttenGpKa training set	1	0	CCC[C@H](C)C[NH2+]CCc1cccc2c1CC(=O)N2	CCC[C@H](C)CNCCc1cccc2c1CC(=O)N2	mol29695	CCCC(C)CNCCc1cccc2c1CC(=O)N2