pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.33	IUPAC digitized pKa	1	0	CC(C)(C)Nc1ncc2ncc[nH+]c2n1,CC(C)(C)Nc1nc2nccnc2c[nH+]1,CC(C)(C)Nc1ncc2nccnc2[nH+]1,CC(C)(C)[NH2+]c1ncc2nccnc2n1,CC(C)(C)Nc1ncc2[nH+]ccnc2n1	CC(C)(C)Nc1ncc2nccnc2n1	mol8117	CC(C)(C)Nc1ncc2nccnc2n1