pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.767	Baltruschat ChEMBL	0	-1	Cc1nc(N2CCOCC2)c([N+](=O)[O-])n1C[C@@H](O)C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1,Cc1nc(N2CCOCC2)c([N+](=O)[O-])n1C[C@@H](O)CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1	Cc1nc(N2CCOCC2)c([N+](=O)[O-])n1C[C@@H](O)CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	mol20332	Cc1nc(N2CCOCC2)c([N+](=O)[O-])n1CC(O)CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1