pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1000003814697	QSARToolbox	2	1	CCCCOc1c2cc(CN)cc1Cc1cc(C[NH3+])cc(c1OCCCC)Cc1cc(C[NH3+])cc(c1OCCCC)Cc1cc(CN)cc(c1OCCCC)C2,CCCCOc1c2cc(CN)cc1Cc1cc(C[NH3+])cc(c1OCCCC)Cc1cc(CN)cc(c1OCCCC)Cc1cc(C[NH3+])cc(c1OCCCC)C2	CCCCOc1c2cc(CN)cc1Cc1cc(CN)cc(c1OCCCC)Cc1cc(C[NH3+])cc(c1OCCCC)Cc1cc(CN)cc(c1OCCCC)C2	mol38322	CCCCOc1c2cc(CN)cc1Cc1cc(CN)cc(c1OCCCC)Cc1cc(CN)cc(c1OCCCC)Cc1cc(CN)cc(c1OCCCC)C2