pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.44	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc(C2CC2)nc(Nc2ccccc2)[nH+]1,Cc1cc(C2CC2)nc([NH2+]c2ccccc2)n1,Cc1cc(C2CC2)[nH+]c(Nc2ccccc2)n1	Cc1cc(C2CC2)nc(Nc2ccccc2)n1	mol21844	Cc1cc(C2CC2)nc(Nc2ccccc2)n1