pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	AttenGpKa training set	0	-1	N=C(NC=O)N[N+](=O)[O-]	N=C([N-][N+](=O)[O-])NC=O,[N-]=C(NC=O)N[N+](=O)[O-]	mol28017	N=C(NC=O)N[N+](=O)[O-]