pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.24	OCHEM	2	1	C[NH+](C)CCNC(=O)c1cccc2[nH+]c3ccccc3cc12	CN(C)CCNC(=O)c1cccc2[nH+]c3ccccc3cc12,C[NH+](C)CCNC(=O)c1cccc2nc3ccccc3cc12	mol17222	CN(C)CCNC(=O)c1cccc2nc3ccccc3cc12
4.23999977111816	QSARToolbox	2	1	C[NH+](C)CCNC(=O)c1cccc2[nH+]c3ccccc3cc12	CN(C)CCNC(=O)c1cccc2[nH+]c3ccccc3cc12,C[NH+](C)CCNC(=O)c1cccc2nc3ccccc3cc12	mol17222	CN(C)CCNC(=O)c1cccc2nc3ccccc3cc12