pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.89000010490417	QSARToolbox	4	3	c1[nH]cc(C[NH2+]CCSSCC[NH2+]Cc2c[nH]c[nH+]2)[nH+]1	c1[nH]cc(CNCCSSCC[NH2+]Cc2c[nH]c[nH+]2)[nH+]1,c1nc(C[NH2+]CCSSCC[NH2+]Cc2c[nH]c[nH+]2)c[nH]1	mol34534	c1nc(CNCCSSCCNCc2c[nH]cn2)c[nH]1