pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.44	OCHEM	2	1	Cc1[nH+]c2c3c(c(C(=O)N4CC[NH2+]CC4)cn2c1C)CC[C@H](c1ccccc1)O3	Cc1nc2c3c(c(C(=O)N4CC[NH2+]CC4)cn2c1C)CC[C@H](c1ccccc1)O3,Cc1[nH+]c2c3c(c(C(=O)N4CCNCC4)cn2c1C)CC[C@H](c1ccccc1)O3	mol18154	Cc1nc2c3c(c(C(=O)N4CCNCC4)cn2c1C)CCC(c1ccccc1)O3