pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.42	Datawarrior	0	-1	CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C,CC[NH+]1CC[C@]2(C)c3cc([O-])ccc3C[C@H]1[C@H]2C	CCN1CC[C@]2(C)c3cc([O-])ccc3C[C@H]1[C@H]2C	mol14840	CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C