pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	Jensen	1	0	Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cc[nH+]c1	Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1	mol2587	Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
5.99	AttenGpKa training set	1	0	Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cc[nH+]c1	Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1	mol2587	Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1