pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4	Datawarrior	1	0	Cc1cc(C)c2[nH+]c(C)cc(N)c2c1,Cc1cc(C)c2nc(C)cc([NH3+])c2c1	Cc1cc(C)c2nc(C)cc(N)c2c1	mol4362	Cc1cc(C)c2nc(C)cc(N)c2c1
10.3999996185303	QSARToolbox	1	0	Cc1cc(C)c2[nH+]c(C)cc(N)c2c1,Cc1cc(C)c2nc(C)cc([NH3+])c2c1	Cc1cc(C)c2nc(C)cc(N)c2c1	mol4362	Cc1cc(C)c2nc(C)cc(N)c2c1
1.39999997615814	QSARToolbox	2	1	Cc1cc(C)c2[nH+]c(C)cc([NH3+])c2c1	Cc1cc(C)c2[nH+]c(C)cc(N)c2c1,Cc1cc(C)c2nc(C)cc([NH3+])c2c1	mol4362	Cc1cc(C)c2nc(C)cc(N)c2c1