pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	OCHEM	1	0	C[C@H](CN(C)C)C[NH+]1c2ccccc2Sc2ccccc21,C[C@@H](CN1c2ccccc2Sc2ccccc21)C[NH+](C)C	C[C@H](CN(C)C)CN1c2ccccc2Sc2ccccc21	mol390	CC(CN(C)C)CN1c2ccccc2Sc2ccccc21
9.11	OCHEM	1	0	C[C@H](CN(C)C)C[NH+]1c2ccccc2Sc2ccccc21,C[C@@H](CN1c2ccccc2Sc2ccccc21)C[NH+](C)C	C[C@H](CN(C)C)CN1c2ccccc2Sc2ccccc21	mol390	CC(CN(C)C)CN1c2ccccc2Sc2ccccc21
9.36	Baltruschat ChEMBL	1	0	C[C@H](CN(C)C)C[NH+]1c2ccccc2Sc2ccccc21,C[C@@H](CN1c2ccccc2Sc2ccccc21)C[NH+](C)C	C[C@H](CN(C)C)CN1c2ccccc2Sc2ccccc21	mol390	CC(CN(C)C)CN1c2ccccc2Sc2ccccc21