pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.14	Baltruschat ChEMBL	1	0	COc1cc(N[C@@H](C)CCCNC(=O)Oc2ccc([N+](=O)[O-])cc2)c2[nH+]cccc2c1,COc1cc([NH2+][C@@H](C)CCCNC(=O)Oc2ccc([N+](=O)[O-])cc2)c2ncccc2c1	COc1cc(N[C@@H](C)CCCNC(=O)Oc2ccc([N+](=O)[O-])cc2)c2ncccc2c1	mol16730	COc1cc(NC(C)CCCNC(=O)Oc2ccc([N+](=O)[O-])cc2)c2ncccc2c1