pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.25	IUPAC digitized pKa	1	0	CC[C@@H](C)Nc1nc2nc(C)c(C)nc2c(C)[nH+]1,CC[C@@H](C)Nc1nc(C)c2nc(C)c(C)nc2[nH+]1,CC[C@@H](C)Nc1nc(C)c2[nH+]c(C)c(C)nc2n1,CC[C@@H](C)Nc1nc(C)c2nc(C)c(C)[nH+]c2n1,CC[C@@H](C)[NH2+]c1nc(C)c2nc(C)c(C)nc2n1	CC[C@@H](C)Nc1nc(C)c2nc(C)c(C)nc2n1	mol8118	CCC(C)Nc1nc(C)c2nc(C)c(C)nc2n1