pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	OCHEM	2	1	CCc1cc(N2CC[C@@H]([NH2+]C)C2)nc[nH+]1,CCc1cc([NH+]2CC[C@@H]([NH2+]C)C2)ncn1,CCc1cc(N2CC[C@@H]([NH2+]C)C2)[nH+]cn1	CCc1cc(N2CC[C@@H]([NH2+]C)C2)ncn1,CCc1cc([NH+]2CC[C@@H](NC)C2)ncn1,CCc1cc(N2CC[C@@H](NC)C2)nc[nH+]1	mol17838	CCc1cc(N2CC[C@@H](NC)C2)ncn1