pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	AttenGpKa training set	1	0	CNC(=S)NCCCCc1c[nH]c[nH+]1	CNC(=S)NCCCCc1c[nH]cn1	mol27552	CNC(=S)NCCCCc1c[nH]cn1
