pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.63	AttenGpKa training set	1	0	[NH3+]CCCn1ccnc1,NCCCn1cc[nH+]c1	NCCCn1ccnc1	mol25864	NCCCn1ccnc1
6.5	AttenGpKa training set	2	1	[NH3+]CCCn1cc[nH+]c1	[NH3+]CCCn1ccnc1,NCCCn1cc[nH+]c1	mol25864	NCCCn1ccnc1