pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.77	AttenGpKa training set	1	0	C1CCCC(N2CCCC[NH2+]CC2)CCC1,C1CCCC([NH+]2CCCCNCC2)CCC1	C1CCCC(N2CCCCNCC2)CCC1	mol24646	C1CCCC(N2CCCCNCC2)CCC1
2.78	AttenGpKa training set	2	1	C1CCCC([NH+]2CCCC[NH2+]CC2)CCC1	C1CCCC(N2CCCC[NH2+]CC2)CCC1,C1CCCC([NH+]2CCCCNCC2)CCC1	mol24646	C1CCCC(N2CCCCNCC2)CCC1