pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	Baltruschat ChEMBL	1	0	O=C(NCCC[NH2+]C1CCCCC1)[C@H]1C[C@@H]1c1ccccc1	O=C(NCCCNC1CCCCC1)[C@H]1C[C@@H]1c1ccccc1	mol19995	O=C(NCCCNC1CCCCC1)[C@H]1C[C@@H]1c1ccccc1
10.4	Baltruschat ChEMBL	1	0	O=C(NCCC[NH2+]C1CCCCC1)[C@H]1C[C@@H]1c1ccccc1	O=C(NCCCNC1CCCCC1)[C@H]1C[C@@H]1c1ccccc1	mol19995	O=C(NCCCNC1CCCCC1)[C@H]1C[C@@H]1c1ccccc1