pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	AttenGpKa training set	1	0	C[NH+](C)CCCn1c2c(c3ccccc31)CCCCCC2	CN(C)CCCn1c2c(c3ccccc31)CCCCCC2	mol29756	CN(C)CCCn1c2c(c3ccccc31)CCCCCC2