pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Datawarrior	1	0	C[NH+](C)CCC/N=C(\c1ccccc1)c1ccccc1Cl,CN(C)CCC/[NH+]=C(\c1ccccc1)c1ccccc1Cl	CN(C)CCC/N=C(\c1ccccc1)c1ccccc1Cl	mol15380	CN(C)CCC/N=C(\c1ccccc1)c1ccccc1Cl
3.46	Datawarrior	2	1	C[NH+](C)CCC/[NH+]=C(\c1ccccc1)c1ccccc1Cl	C[NH+](C)CCC/N=C(\c1ccccc1)c1ccccc1Cl,CN(C)CCC/[NH+]=C(\c1ccccc1)c1ccccc1Cl	mol15380	CN(C)CCC/N=C(\c1ccccc1)c1ccccc1Cl