pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.78	AttenGpKa training set	1	0	C[NH+]1CCC(=C(c2ccc(Cl)cc2)c2ccccn2)CC1	CN1CCC(=C(c2ccc(Cl)cc2)c2ccccn2)CC1	mol29799	CN1CCC(=C(c2ccc(Cl)cc2)c2ccccn2)CC1
3.64	AttenGpKa training set	2	1	C[NH+]1CCC(=C(c2ccc(Cl)cc2)c2cccc[nH+]2)CC1	C[NH+]1CCC(=C(c2ccc(Cl)cc2)c2ccccn2)CC1	mol29799	CN1CCC(=C(c2ccc(Cl)cc2)c2ccccn2)CC1