pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.16000008583069	QSARToolbox	4	3	Cc1cccc(C[NH2+]CCSSCC[NH2+]Cc2[nH+]cccc2C)[nH+]1	Cc1cccc(C[NH2+]CCSSCC[NH2+]Cc2ncccc2C)[nH+]1,Cc1cccc(CNCCSSCC[NH2+]Cc2[nH+]cccc2C)[nH+]1,Cc1cccc(C[NH2+]CCSSCCNCc2[nH+]cccc2C)[nH+]1,Cc1cccc(C[NH2+]CCSSCC[NH2+]Cc2[nH+]cccc2C)n1	mol35800	Cc1cccc(CNCCSSCCNCc2ncccc2C)n1