pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.94000005722046	QSARToolbox	0	-1	COC(=O)/C1=C(\C(=O)OC)N(C)C[C@H](C)c2[nH]c(C(=O)C(F)(F)F)cc2[C@@H]1C	COC(=O)/C1=C(\C(=O)OC)N(C)C[C@H](C)c2[n-]c(C(=O)C(F)(F)F)cc2[C@@H]1C	mol36575	COC(=O)/C1=C(\C(=O)OC)N(C)CC(C)c2[nH]c(C(=O)C(F)(F)F)cc2C1C