pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.6	AttenGpKa training set	1	0	C1CNCCC[NH2+]CCCNC1	C1CNCCCNCCCNC1	mol24586	C1CNCCCNCCCNC1
7.49	AttenGpKa training set	3	2	C1C[NH2+]CCC[NH2+]CCC[NH2+]C1	C1CNCCC[NH2+]CCC[NH2+]C1	mol24586	C1CNCCCNCCCNC1