pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.18	IUPAC digitized pKa	1	0	Cc1cc[nH+]c2[nH]ccc12	Cc1ccnc2[nH]ccc12	mol7803	Cc1ccnc2[nH]ccc12
5.23	AttenGpKa training set	1	0	Cc1cc[nH+]c2[nH]ccc12	Cc1ccnc2[nH]ccc12	mol7803	Cc1ccnc2[nH]ccc12