pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.88000011444092	QSARToolbox	0	-1	O=C1[C@@H](N=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)SC(=S)N1Nc1ccccc1	O=C1[C@@H](N=Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)SC(=S)N1Nc1ccccc1,O=C1C(N=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)SC(=S)N1[N-]c1ccccc1,O=c1[c-](N=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)sc(=S)n1Nc1ccccc1	mol35744	O=C1C(N=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)SC(=S)N1Nc1ccccc1