pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.53	OCHEM	1	0	C[S@@+]([O-])Cc1cccc(C[S@@+](C)O)n1,C[S@@+](O)[CH-]c1cccc(C[S@@+](C)O)n1,C[S@@+]([O-])Cc1cccc(C[S@@+](C)[O-])[nH+]1	C[S@@+]([O-])Cc1cccc(C[S@@+](C)[O-])n1	mol31900	C[S+]([O-])Cc1cccc(C[S+](C)[O-])n1
1.52999997138977	QSARToolbox	1	0	C[S@@+]([O-])Cc1cccc(C[S@@+](C)O)n1,C[S@@+](O)[CH-]c1cccc(C[S@@+](C)O)n1,C[S@@+]([O-])Cc1cccc(C[S@@+](C)[O-])[nH+]1	C[S@@+]([O-])Cc1cccc(C[S@@+](C)[O-])n1	mol31900	C[S+]([O-])Cc1cccc(C[S+](C)[O-])n1