pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.20000004768372	QSARToolbox	1	0	CCCN(CCC)C(=O)C[NH+](C)c1c(C(=O)O)cnc2ccc(OC)cc12,CCCN(CCC)C(=O)CN(C)c1c(C(=O)O)c[nH+]c2ccc(OC)cc12,CCCN(CCC)C(=[OH+])CN(C)c1c(C(=O)O)cnc2ccc(OC)cc12,CCCN(CCC)C(=O)CN(C)c1c(C(O)=[OH+])cnc2ccc(OC)cc12	CCCN(CCC)C(=O)C[NH+](C)c1c(C(=O)[O-])cnc2ccc(OC)cc12,CCCN(CCC)C(=O)CN(C)c1c(C(=O)[O-])c[nH+]c2ccc(OC)cc12	mol35431	CCCN(CCC)C(=O)CN(C)c1c(C(=O)O)cnc2ccc(OC)cc12