pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	Baltruschat ChEMBL	1	0	CCC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)NCC[NH+](C)C)c(Cl)c1Cl)C2	CCC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)NCCN(C)C)c(Cl)c1Cl)C2	mol18742	CCCC12CCC(=O)C=C1c1c(cc(OCC(=O)NCCN(C)C)c(Cl)c1Cl)C2