pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	Baltruschat ChEMBL	0	-1	Clc1ccc2[nH]c(-c3ccncc3)nc2c1	Clc1ccc2[n-]c(-c3ccncc3)nc2c1	mol16612	Clc1ccc2[nH]c(-c3ccncc3)nc2c1
3.5	Baltruschat ChEMBL	2	1	Clc1ccc2[nH]c(-c3cc[nH+]cc3)[nH+]c2c1	Clc1ccc2[nH]c(-c3cc[nH+]cc3)nc2c1,Clc1ccc2[nH]c(-c3ccncc3)[nH+]c2c1	mol16612	Clc1ccc2[nH]c(-c3ccncc3)nc2c1