pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.18	Datawarrior	1	0	Cc1ccc2nc3c(c([NH+]4CCOCC4)c2c1)CCC3,Cc1ccc2[nH+]c3c(c(N4CCOCC4)c2c1)CCC3	Cc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3	mol14782	Cc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3
7.1799998	OCHEM	1	0	Cc1ccc2nc3c(c([NH+]4CCOCC4)c2c1)CCC3,Cc1ccc2[nH+]c3c(c(N4CCOCC4)c2c1)CCC3	Cc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3	mol14782	Cc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3
7.17999982833862	QSARToolbox	1	0	Cc1ccc2nc3c(c([NH+]4CCOCC4)c2c1)CCC3,Cc1ccc2[nH+]c3c(c(N4CCOCC4)c2c1)CCC3	Cc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3	mol14782	Cc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3