pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.83	Datawarrior	1	0	Cc1cccc(C)c1NC(=O)C[NH2+]CC(C)C	Cc1cccc(C)c1NC(=O)CNCC(C)C	mol15241	Cc1cccc(C)c1NC(=O)CNCC(C)C
7.8299999	OCHEM	1	0	Cc1cccc(C)c1NC(=O)C[NH2+]CC(C)C	Cc1cccc(C)c1NC(=O)CNCC(C)C	mol15241	Cc1cccc(C)c1NC(=O)CNCC(C)C