pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	Baltruschat ChEMBL	1	0	CC[NH+](CC)CCS/C(=N\O)c1nc(-c2cccc3ccccc23)no1	CC[NH+](CC)CCS/C(=N\[O-])c1nc(-c2cccc3ccccc23)no1,CCN(CC)CCS/C(=N\O)c1nc(-c2cccc3ccccc23)no1	mol20093	CCN(CC)CCS/C(=N\O)c1nc(-c2cccc3ccccc23)no1