pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	Datawarrior	1	0	C[NH+](C)CCC/N=C(\c1ccccc1)c1ccccc1O,CN(C)CCC/[NH+]=C(\c1ccccc1)c1ccccc1O	CN(C)CCC/N=C(\c1ccccc1)c1ccccc1O,C[NH+](C)CCC/N=C(\c1ccccc1)c1ccccc1[O-],CN(C)CCC/[NH+]=C(\c1ccccc1)c1ccccc1[O-]	mol15390	CN(C)CCC/N=C(\c1ccccc1)c1ccccc1O
3.31	Datawarrior	2	1	C[NH+](C)CCC/[NH+]=C(\c1ccccc1)c1ccccc1O	C[NH+](C)CCC/N=C(\c1ccccc1)c1ccccc1O,CN(C)CCC/[NH+]=C(\c1ccccc1)c1ccccc1O	mol15390	CN(C)CCC/N=C(\c1ccccc1)c1ccccc1O