pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.02	IUPAC digitized pKa	1	0	CC[C@@H](CN1c2ccccc2Sc2ccccc21)[NH+](C)C	CC[C@@H](CN1c2ccccc2Sc2ccccc21)N(C)C	mol5131	CCC(CN1c2ccccc2Sc2ccccc21)N(C)C