pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.25999999046326	QSARToolbox	1	0	OC[C@@H](O)CN1C(=[OH+])CN=C(c2ccccc2F)c2cc(Cl)ccc21,O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1C[C@H](O)C[OH2+],O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1C[C@H]([OH2+])CO,O=C1C[NH+]=C(c2ccccc2F)c2cc(Cl)ccc2N1C[C@H](O)CO	O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1C[C@H](O)CO	mol38231	O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1CC(O)CO