pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	OCHEM	1	0	COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)nc([NH3+])c2cc1OC,COc1cc2nc([NH+](C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC,COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)[nH+]c(N)c2cc1OC,COc1cc2[nH+]c(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC	COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC	mol18340	COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC