pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.4	OCHEM	2	1	C[NH2+][C@@H]1CCN(c2cc[nH+]c(NC(C)C)n2)C1,C[NH2+][C@@H]1CCN(c2ccnc([NH2+]C(C)C)n2)C1	CN[C@@H]1CCN(c2cc[nH+]c(NC(C)C)n2)C1,CN[C@@H]1CC[NH+](c2ccnc(NC(C)C)n2)C1,C[NH2+][C@@H]1CCN(c2ccnc(NC(C)C)n2)C1,CN[C@@H]1CCN(c2ccnc([NH2+]C(C)C)n2)C1	mol19952	CN[C@@H]1CCN(c2ccnc(NC(C)C)n2)C1