pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6800003	OCHEM	0	-1	Nc1nc(O)c2ncn([C@H]3C=C[C@H](CO)C3)c2n1	Nc1nc([O-])c2ncn([C@H]3C=C[C@H](CO)C3)c2n1	mol32296	Nc1nc(O)c2ncn(C3C=CC(CO)C3)c2n1
3.1500001	OCHEM	1	0	Nc1nc2c(ncn2[C@H]2C=C[C@H](CO)C2)c(O)[nH+]1,Nc1nc(O)c2ncn([C@H]3C=C[C@H](C[OH2+])C3)c2n1,Nc1nc([OH2+])c2ncn([C@H]3C=C[C@H](CO)C3)c2n1,Nc1nc(O)c2ncn([C@H]3C=C[C@H](CO)C3)c2[nH+]1,[NH3+]c1nc(O)c2ncn([C@H]3C=C[C@H](CO)C3)c2n1	Nc1nc(O)c2ncn([C@H]3C=C[C@H](CO)C3)c2n1	mol32296	Nc1nc(O)c2ncn(C3C=CC(CO)C3)c2n1