pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	Datawarrior	1	0	[NH3+][C@]12CC[C@H](C1)C2	N[C@]12CC[C@H](C1)C2	mol14276	NC12CCC(C1)C2
9.3000002	OCHEM	1	0	[NH3+][C@]12CC[C@H](C1)C2	N[C@]12CC[C@H](C1)C2	mol14276	NC12CCC(C1)C2