pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
15.2	Datawarrior	0	-1	C[C@H]1NCCc2c1[nH]c1ccc(Cl)cc21	C[C@H]1NCCc2c1[n-]c1ccc(Cl)cc21	mol15806	CC1NCCc2c1[nH]c1ccc(Cl)cc21
15.1999998092651	QSARToolbox	0	-1	C[C@H]1NCCc2c1[nH]c1ccc(Cl)cc21	C[C@H]1NCCc2c1[n-]c1ccc(Cl)cc21	mol15806	CC1NCCc2c1[nH]c1ccc(Cl)cc21