pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Baltruschat ChEMBL	1	0	COc1cccc2c3c(c(C)[nH+]c12)CCN3c1ccccc1C,COc1cccc2c3c(c(C)nc12)CC[NH+]3c1ccccc1C	COc1cccc2c3c(c(C)nc12)CCN3c1ccccc1C	mol19294	COc1cccc2c3c(c(C)nc12)CCN3c1ccccc1C