pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Baltruschat ChEMBL	1	0	O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CC[NH2+]C1	O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1	mol16128	O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1