pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.5200004577637	QSARToolbox	2	1	CCC1([C@H](C)c2ccccc2)C(=[OH+])NC(=O)NC1=[OH+],CCC1([C@H](C)c2ccccc2)C(=O)NC(=[OH+])NC1=[OH+]	CCC1([C@H](C)c2ccccc2)C(=O)NC(=O)NC1=[OH+]	mol35153	CCC1(C(C)c2ccccc2)C(=O)NC(=O)NC1=O