pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.73	AttenGpKa training set	0	-1	O=C(Nn1cnnc1)c1ccco1	O=C([N-]n1cnnc1)c1ccco1	mol28331	O=C(Nn1cnnc1)c1ccco1