pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	Baltruschat ChEMBL	1	0	O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)[C@@]1(CCOC1)[NH2+]CC3	O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)[C@@]1(CCOC1)NCC3	mol18886	O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)C1(CCOC1)NCC3