pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1000003814697	QSARToolbox	1	0	ClCC12CC[NH+](CC1)CC2	ClCC12CCN(CC1)CC2	mol24564	ClCC12CCN(CC1)CC2
10.21	AttenGpKa training set	1	0	ClCC12CC[NH+](CC1)CC2	ClCC12CCN(CC1)CC2	mol24564	ClCC12CCN(CC1)CC2