pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.05	IUPAC digitized pKa	0	-1	Cc1cc(C)c2cccc([S-])c2[nH+]1,Cc1cc(C)c2cccc(S)c2n1	Cc1cc(C)c2cccc([S-])c2n1	mol7754	Cc1cc(C)c2cccc(S)c2n1
2.24	IUPAC digitized pKa	1	0	Cc1cc(C)c2cccc(S)c2[nH+]1	Cc1cc(C)c2cccc([S-])c2[nH+]1,Cc1cc(C)c2cccc(S)c2n1	mol7754	Cc1cc(C)c2cccc(S)c2n1
2.24000000953674	QSARToolbox	1	0	Cc1cc(C)c2cccc(S)c2[nH+]1	Cc1cc(C)c2cccc([S-])c2[nH+]1,Cc1cc(C)c2cccc(S)c2n1	mol7754	Cc1cc(C)c2cccc(S)c2n1
1.5	QSARToolbox	1	0	Cc1cc(C)c2cccc(S)c2[nH+]1	Cc1cc(C)c2cccc([S-])c2[nH+]1,Cc1cc(C)c2cccc(S)c2n1	mol7754	Cc1cc(C)c2cccc(S)c2n1