pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.50999999046326	QSARToolbox	2	1	C[N+]1=C(/C=C/c2ccc([NH+](C)CCCl)cc2)C(C)(C)c2ccccc21	CN(CCCl)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1	mol29934	CN(CCCl)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1
0.71	AttenGpKa training set	2	1	C[N+]1=C(/C=C/c2ccc([NH+](C)CCCl)cc2)C(C)(C)c2ccccc21	CN(CCCl)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1	mol29934	CN(CCCl)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1