pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.68	OCHEM	1	0	Cc1[nH+]c2c3c(c(C(=O)NC4CCC4)cn2c1C)CC[C@H](c1ccccc1)O3	Cc1nc2c3c(c(C(=O)NC4CCC4)cn2c1C)CC[C@H](c1ccccc1)O3	mol18158	Cc1nc2c3c(c(C(=O)NC4CCC4)cn2c1C)CCC(c1ccccc1)O3