pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.18	Datawarrior	1	0	CCOc1c(C#N)c[nH+]c2ccccc12	CCOc1c(C#N)cnc2ccccc12	mol15735	CCOc1c(C#N)cnc2ccccc12
3.1800001	OCHEM	1	0	CCOc1c(C#N)c[nH+]c2ccccc12	CCOc1c(C#N)cnc2ccccc12	mol15735	CCOc1c(C#N)cnc2ccccc12
3.1800000667572	QSARToolbox	1	0	CCOc1c(C#N)c[nH+]c2ccccc12	CCOc1c(C#N)cnc2ccccc12	mol15735	CCOc1c(C#N)cnc2ccccc12