pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.96	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)c1ccc(N=Nc2ccccc2)cc1,CN(C)c1ccc(N=[NH+]c2ccccc2)cc1	CN(C)c1ccc(N=Nc2ccccc2)cc1	mol21802	CN(C)c1ccc(N=Nc2ccccc2)cc1
2.8499999	OCHEM	1	0	C[NH+](C)c1ccc(N=Nc2ccccc2)cc1,CN(C)c1ccc(N=[NH+]c2ccccc2)cc1	CN(C)c1ccc(N=Nc2ccccc2)cc1	mol21802	CN(C)c1ccc(N=Nc2ccccc2)cc1
3.226	OCHEM	1	0	C[NH+](C)c1ccc(N=Nc2ccccc2)cc1,CN(C)c1ccc(N=[NH+]c2ccccc2)cc1	CN(C)c1ccc(N=Nc2ccccc2)cc1	mol21802	CN(C)c1ccc(N=Nc2ccccc2)cc1