pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	AttenGpKa training set	1	0	C[NH+](C)c1ccc2cc3cc(N)ccc3nc2c1,CN(C)c1ccc2cc3cc([NH3+])ccc3nc2c1,CN(C)c1ccc2cc3cc(N)ccc3[nH+]c2c1	CN(C)c1ccc2cc3cc(N)ccc3nc2c1	mol26680	CN(C)c1ccc2cc3cc(N)ccc3nc2c1