pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.33	Datawarrior	1	0	CC(C)[NH+](C[C@H](C)O)C[C@H](C)O	CC(C)N(C[C@H](C)O)C[C@H](C)O	mol12885	CC(O)CN(CC(C)O)C(C)C
9.3299999	OCHEM	1	0	CC(C)[NH+](C[C@H](C)O)C[C@H](C)O	CC(C)N(C[C@H](C)O)C[C@H](C)O	mol12885	CC(O)CN(CC(C)O)C(C)C