pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.40000009536743	QSARToolbox	1	0	CCCN(CCC)C(=O)CN(C)c1c(C(=O)OCC)c[nH+]c2ccc(C)cc12,CCCN(CCC)C(=O)CN(C)c1c(C(=[OH+])OCC)cnc2ccc(C)cc12,CCCN(CCC)C(=O)C[NH+](C)c1c(C(=O)OCC)cnc2ccc(C)cc12,CCCN(CCC)C(=[OH+])CN(C)c1c(C(=O)OCC)cnc2ccc(C)cc12	CCCN(CCC)C(=O)CN(C)c1c(C(=O)OCC)cnc2ccc(C)cc12	mol35426	CCCN(CCC)C(=O)CN(C)c1c(C(=O)OCC)cnc2ccc(C)cc12