pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.3	IUPAC digitized pKa	0	-1	Sc1ccc(Br)c2cccnc12	[S-]c1ccc(Br)c2cccnc12	mol7722	Sc1ccc(Br)c2cccnc12
1.43	IUPAC digitized pKa	1	0	Sc1ccc(Br)c2ccc[nH+]c12	Sc1ccc(Br)c2cccnc12	mol7722	Sc1ccc(Br)c2cccnc12