pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.77	Baltruschat ChEMBL	1	0	C[n+]1c2ccccc2c(NC2CCNCC2)c2[nH]c3ccccc3c21	C[n+]1c2ccccc2c(NC2CCNCC2)c2[n-]c3ccccc3c21	mol20258	C[n+]1c2ccccc2c(NC2CCNCC2)c2[nH]c3ccccc3c21