pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	OCHEM	1	0	C[C@@H]([NH2+]CCC(c1ccccc1)c1ccccc1)c1ccccc1	C[C@@H](NCCC(c1ccccc1)c1ccccc1)c1ccccc1	mol389	CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
9.04	OCHEM	1	0	C[C@@H]([NH2+]CCC(c1ccccc1)c1ccccc1)c1ccccc1	C[C@@H](NCCC(c1ccccc1)c1ccccc1)c1ccccc1	mol389	CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1