pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.14	Datawarrior	1	0	CN1CCC[NH+](C)Cc2ccccc2OCCOc2ccccc2C1	CN1CCCN(C)Cc2ccccc2OCCOc2ccccc2C1	mol15335	CN1CCCN(C)Cc2ccccc2OCCOc2ccccc2C1
7.92	Datawarrior	2	1	C[NH+]1CCC[NH+](C)Cc2ccccc2OCCOc2ccccc2C1	CN1CCC[NH+](C)Cc2ccccc2OCCOc2ccccc2C1	mol15335	CN1CCCN(C)Cc2ccccc2OCCOc2ccccc2C1