pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.65000009536743	QSARToolbox	1	0	c1ccc2[nH]c([NH2+]CCCc3c[nH]cn3)nc2c1,c1ccc2[nH+]c(NCCCc3c[nH]cn3)[nH]c2c1,c1ccc2[nH]c(NCCCc3c[nH]c[nH+]3)nc2c1	c1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1	mol34529	c1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1
6.69999980926514	QSARToolbox	2	1	c1ccc2[nH]c([NH2+]CCCc3c[nH]c[nH+]3)nc2c1,c1ccc2[nH+]c(NCCCc3c[nH]c[nH+]3)[nH]c2c1	c1ccc2[nH]c([NH2+]CCCc3c[nH]cn3)nc2c1,c1ccc2[nH+]c(NCCCc3c[nH]cn3)[nH]c2c1,c1ccc2[nH]c(NCCCc3c[nH]c[nH+]3)nc2c1	mol34529	c1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1