pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	Datawarrior	1	0	CC(C)(C)CC(=O)n1cc[nH+]c1	CC(C)(C)CC(=O)n1ccnc1	mol12614	CC(C)(C)CC(=O)n1ccnc1
3.79999995231628	QSARToolbox	1	0	CC(C)(C)CC(=O)n1cc[nH+]c1	CC(C)(C)CC(=O)n1ccnc1	mol12614	CC(C)(C)CC(=O)n1ccnc1