pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.03	Datawarrior	1	0	CCOC(=O)C1(c2ccccc2)CC[NH+](CC)CC1	CCOC(=O)C1(c2ccccc2)CCN(CC)CC1	mol15487	CCOC(=O)C1(c2ccccc2)CCN(CC)CC1
9.0299997	OCHEM	1	0	CCOC(=O)C1(c2ccccc2)CC[NH+](CC)CC1	CCOC(=O)C1(c2ccccc2)CCN(CC)CC1	mol15487	CCOC(=O)C1(c2ccccc2)CCN(CC)CC1
9.02999973297119	QSARToolbox	1	0	CCOC(=O)C1(c2ccccc2)CC[NH+](CC)CC1	CCOC(=O)C1(c2ccccc2)CCN(CC)CC1	mol15487	CCOC(=O)C1(c2ccccc2)CCN(CC)CC1