pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	OCHEM	1	0	OCCCCCNCc1c2ccccc2c(C[NH2+]CCCCCO)c2ccccc12	OCCCCCNCc1c2ccccc2c(CNCCCCCO)c2ccccc12	mol16153	OCCCCCNCc1c2ccccc2c(CNCCCCCO)c2ccccc12