pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	Baltruschat ChEMBL	1	0	COC1C[NH+](c2nc(C3CC3)nc(N3CCCCCC3)c2C)C1,COC1CN(c2nc(C3CC3)[nH+]c(N3CCCCCC3)c2C)C1,COC1CN(c2nc(C3CC3)nc([NH+]3CCCCCC3)c2C)C1,COC1CN(c2[nH+]c(C3CC3)nc(N3CCCCCC3)c2C)C1	COC1CN(c2nc(C3CC3)nc(N3CCCCCC3)c2C)C1	mol17708	COC1CN(c2nc(C3CC3)nc(N3CCCCCC3)c2C)C1