pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.24	IUPAC digitized pKa	1	0	Clc1cc2cccnc2c2[nH+]cccc12,Clc1cc2ccc[nH+]c2c2ncccc12	Clc1cc2cccnc2c2ncccc12	mol5077	Clc1cc2cccnc2c2ncccc12
4.18	IUPAC digitized pKa	1	0	Clc1cc2cccnc2c2[nH+]cccc12,Clc1cc2ccc[nH+]c2c2ncccc12	Clc1cc2cccnc2c2ncccc12	mol5077	Clc1cc2cccnc2c2ncccc12
4.22	Datawarrior	1	0	Clc1cc2cccnc2c2[nH+]cccc12,Clc1cc2ccc[nH+]c2c2ncccc12	Clc1cc2cccnc2c2ncccc12	mol5077	Clc1cc2cccnc2c2ncccc12
4.2199998	OCHEM	1	0	Clc1cc2cccnc2c2[nH+]cccc12,Clc1cc2ccc[nH+]c2c2ncccc12	Clc1cc2cccnc2c2ncccc12	mol5077	Clc1cc2cccnc2c2ncccc12
4.17999982833862	QSARToolbox	1	0	Clc1cc2cccnc2c2[nH+]cccc12,Clc1cc2ccc[nH+]c2c2ncccc12	Clc1cc2cccnc2c2ncccc12	mol5077	Clc1cc2cccnc2c2ncccc12
4.26000022888184	QSARToolbox	1	0	Clc1cc2cccnc2c2[nH+]cccc12,Clc1cc2ccc[nH+]c2c2ncccc12	Clc1cc2cccnc2c2ncccc12	mol5077	Clc1cc2cccnc2c2ncccc12