pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7	Datawarrior	0	-1	CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc(NS(=O)(=O)c2ccc(N)cc2)c1	CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc([N-]S(=O)(=O)c2ccc(N)cc2)c1	mol14414	CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc(NS(=O)(=O)c2ccc(N)cc2)c1
9.6999998	OCHEM	0	-1	CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc(NS(=O)(=O)c2ccc(N)cc2)c1	CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc([N-]S(=O)(=O)c2ccc(N)cc2)c1	mol14414	CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc(NS(=O)(=O)c2ccc(N)cc2)c1