pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59	IUPAC digitized pKa	1	0	Nc1ccc2nc3cc([NH3+])ccc3nc2c1,Nc1ccc2[nH+]c3cc(N)ccc3nc2c1	Nc1ccc2nc3cc(N)ccc3nc2c1	mol5123	Nc1ccc2nc3cc(N)ccc3nc2c1
4.29	OCHEM	1	0	Nc1ccc2nc3cc([NH3+])ccc3nc2c1,Nc1ccc2[nH+]c3cc(N)ccc3nc2c1	Nc1ccc2nc3cc(N)ccc3nc2c1	mol5123	Nc1ccc2nc3cc(N)ccc3nc2c1
4.63	AttenGpKa training set	1	0	Nc1ccc2nc3cc([NH3+])ccc3nc2c1,Nc1ccc2[nH+]c3cc(N)ccc3nc2c1	Nc1ccc2nc3cc(N)ccc3nc2c1	mol5123	Nc1ccc2nc3cc(N)ccc3nc2c1