pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.87	IUPAC digitized pKa	0	-1	C[C@@](O)(C1=NCCCC1)c1c(Cl)cccc1Cl	C[C@@]([O-])(C1=NCCCC1)c1c(Cl)cccc1Cl	mol7324	CC(O)(C1=NCCCC1)c1c(Cl)cccc1Cl
10.81	IUPAC digitized pKa	1	0	C[C@@](O)(C1=[NH+]CCCC1)c1c(Cl)cccc1Cl	C[C@@](O)(C1=NCCCC1)c1c(Cl)cccc1Cl	mol7324	CC(O)(C1=NCCCC1)c1c(Cl)cccc1Cl