pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
16.0	Datawarrior	0	-1	C[C@@H]1NCCc2c1[nH]c1ccc(N)cc21	C[C@@H]1NCCc2c1[n-]c1ccc(N)cc21	mol15817	CC1NCCc2c1[nH]c1ccc(N)cc21