pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.45	SAMPL6	1	0	CCOC(=O)c1ccc(Nc2cc(C)nc(Nc3ccc(C(=O)OCC)cc3)[nH+]2)cc1,CCOC(=O)c1ccc(Nc2cc(C)nc([NH2+]c3ccc(C(=O)OCC)cc3)n2)cc1,CCOC(=O)c1ccc(Nc2cc(C)[nH+]c(Nc3ccc(C(=O)OCC)cc3)n2)cc1,CCOC(=O)c1ccc(Nc2nc(C)cc([NH2+]c3ccc(C(=O)OCC)cc3)n2)cc1	CCOC(=O)c1ccc(Nc2cc(C)nc(Nc3ccc(C(=O)OCC)cc3)n2)cc1	SM23	CCOC(=O)c1ccc(Nc2cc(C)nc(Nc3ccc(C(=O)OCC)cc3)n2)cc1