pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	Datawarrior	0	-1	CCNC(=CC(=O)c1cccc(S(=O)(=O)O)c1)n1ccnc1,CC[NH2+]C(=CC(=O)c1cccc(S(=O)(=O)[O-])c1)n1ccnc1,CCNC(=CC(=O)c1cccc(S(=O)(=O)[O-])c1)n1cc[nH+]c1	CCNC(=CC(=O)c1cccc(S(=O)(=O)[O-])c1)n1ccnc1	mol15104	CCNC(=CC(=O)c1cccc(S(=O)(=O)O)c1)n1ccnc1