pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.62	Datawarrior	1	0	C[C@H](CC(O)(c1ccccc1)c1ccccc1)[NH+]1CCCCC1	C[C@H](CC(O)(c1ccccc1)c1ccccc1)N1CCCCC1	mol15657	CC(CC(O)(c1ccccc1)c1ccccc1)N1CCCCC1
8.6199999	OCHEM	1	0	C[C@H](CC(O)(c1ccccc1)c1ccccc1)[NH+]1CCCCC1	C[C@H](CC(O)(c1ccccc1)c1ccccc1)N1CCCCC1	mol15657	CC(CC(O)(c1ccccc1)c1ccccc1)N1CCCCC1