pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.52	Datawarrior	0	-1	Clc1c(Cl)c(Cl)c2[nH]nnc2c1Cl	Clc1c(Cl)c(Cl)c2[n-]nnc2c1Cl	mol13829	Clc1c(Cl)c(Cl)c2[nH]nnc2c1Cl
5.0	OCHEM	0	-1	Clc1c(Cl)c(Cl)c2[nH]nnc2c1Cl	Clc1c(Cl)c(Cl)c2[n-]nnc2c1Cl	mol13829	Clc1c(Cl)c(Cl)c2[nH]nnc2c1Cl
5.24	AttenGpKa training set	0	-1	Clc1c(Cl)c(Cl)c2[nH]nnc2c1Cl	Clc1c(Cl)c(Cl)c2[n-]nnc2c1Cl	mol13829	Clc1c(Cl)c(Cl)c2[nH]nnc2c1Cl