pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	Datawarrior	0	-1	Cc1c(O)cncc1C1CCCCC1,Cc1c([O-])c[nH+]cc1C1CCCCC1	Cc1c([O-])cncc1C1CCCCC1	mol13434	Cc1c(O)cncc1C1CCCCC1
5.6	Datawarrior	1	0	Cc1c(O)c[nH+]cc1C1CCCCC1	Cc1c(O)cncc1C1CCCCC1,Cc1c([O-])c[nH+]cc1C1CCCCC1	mol13434	Cc1c(O)cncc1C1CCCCC1
5.5999999	OCHEM	1	0	Cc1c(O)c[nH+]cc1C1CCCCC1	Cc1c(O)cncc1C1CCCCC1,Cc1c([O-])c[nH+]cc1C1CCCCC1	mol13434	Cc1c(O)cncc1C1CCCCC1
