pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.98	OCHEM	0	-1	CCN(CC)CCCCOc1cc2oc3cc(OCCCC[NH+](CC)CC)c(CC=C(C)C)c([O-])c3c(=O)c2c(CC=C(C)C)c1OC,CCN(CC)CCCCOc1cc2oc3cc(OCCCC[NH+](CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c([O-])c1CC=C(C)C	CCN(CC)CCCCOc1cc2oc3cc(OCCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c([O-])c1CC=C(C)C	mol18634	CCN(CC)CCCCOc1cc2oc3cc(OCCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C