pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.69	Datawarrior	1	0	CNC(=O)C=C(c1ccc2nc([NH3+])n(C(C)C)c2c1)c1cccc(F)c1F,CNC(=O)C=C(c1ccc2[nH+]c(N)n(C(C)C)c2c1)c1cccc(F)c1F	CNC(=O)C=C(c1ccc2nc(N)n(C(C)C)c2c1)c1cccc(F)c1F	mol15599	CNC(=O)C=C(c1ccc2nc(N)n(C(C)C)c2c1)c1cccc(F)c1F
6.6900001	OCHEM	1	0	CNC(=O)C=C(c1ccc2nc([NH3+])n(C(C)C)c2c1)c1cccc(F)c1F,CNC(=O)C=C(c1ccc2[nH+]c(N)n(C(C)C)c2c1)c1cccc(F)c1F	CNC(=O)C=C(c1ccc2nc(N)n(C(C)C)c2c1)c1cccc(F)c1F	mol15599	CNC(=O)C=C(c1ccc2nc(N)n(C(C)C)c2c1)c1cccc(F)c1F
6.69000005722046	QSARToolbox	1	0	CNC(=O)C=C(c1ccc2nc([NH3+])n(C(C)C)c2c1)c1cccc(F)c1F,CNC(=O)C=C(c1ccc2[nH+]c(N)n(C(C)C)c2c1)c1cccc(F)c1F	CNC(=O)C=C(c1ccc2nc(N)n(C(C)C)c2c1)c1cccc(F)c1F	mol15599	CNC(=O)C=C(c1ccc2nc(N)n(C(C)C)c2c1)c1cccc(F)c1F