pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.91	Datawarrior	0	-1	O=C1NC(=O)c2ccccc21	O=C1[N-]C(=O)c2ccccc21	mol14011	O=C1NC(=O)c2ccccc21
9.9	OCHEM	0	-1	O=C1NC(=O)c2ccccc21	O=C1[N-]C(=O)c2ccccc21	mol14011	O=C1NC(=O)c2ccccc21
9.9099998	OCHEM	0	-1	O=C1NC(=O)c2ccccc21	O=C1[N-]C(=O)c2ccccc21	mol14011	O=C1NC(=O)c2ccccc21
9.89999961853027	QSARToolbox	0	-1	O=C1NC(=O)c2ccccc21	O=C1[N-]C(=O)c2ccccc21	mol14011	O=C1NC(=O)c2ccccc21
9.81999969482422	QSARToolbox	0	-1	O=C1NC(=O)c2ccccc21	O=C1[N-]C(=O)c2ccccc21	mol14011	O=C1NC(=O)c2ccccc21
10.0600004196167	QSARToolbox	0	-1	O=C1NC(=O)c2ccccc21	O=C1[N-]C(=O)c2ccccc21	mol14011	O=C1NC(=O)c2ccccc21
9.78999996185303	QSARToolbox	0	-1	O=C1NC(=O)c2ccccc21	O=C1[N-]C(=O)c2ccccc21	mol14011	O=C1NC(=O)c2ccccc21
9.386666667	AttenGpKa training set	0	-1	O=C1NC(=O)c2ccccc21	O=C1[N-]C(=O)c2ccccc21	mol14011	O=C1NC(=O)c2ccccc21