pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.75	Novartis	1	0	O=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1cnc3ccccc3[nH+]1)CC2,O=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1c[nH+]c3ccccc3n1)CC2,O=C1N(Cc2cccc3[nH]ccc23)CCCC12CC[NH+](c1cnc3ccccc3n1)CC2	O=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2	mol3011	O=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2