pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.86	Datawarrior	1	0	C[C@@H]1CNC[C@H](C)[NH2+]1,C[C@@H]1C[NH2+]C[C@H](C)N1	C[C@@H]1CNC[C@H](C)N1	mol12376	C[C@@H]1CNC[C@H](C)N1
5.4	Datawarrior	2	1	C[C@@H]1C[NH2+]C[C@H](C)[NH2+]1	C[C@@H]1CNC[C@H](C)[NH2+]1,C[C@@H]1C[NH2+]C[C@H](C)N1	mol12376	C[C@@H]1CNC[C@H](C)N1
4.1399998664856	QSARToolbox	2	1	C[C@@H]1C[NH2+]C[C@H](C)[NH2+]1	C[C@@H]1CNC[C@H](C)[NH2+]1,C[C@@H]1C[NH2+]C[C@H](C)N1	mol12376	C[C@@H]1CNC[C@H](C)N1