pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.04	Datawarrior	1	0	Cc1cccc([C@@H](C)c2c[nH]c[nH+]2)c1C	Cc1cccc([C@@H](C)c2c[nH]cn2)c1C	mol15709	Cc1cccc(C(C)c2c[nH]cn2)c1C
7.03999996185303	QSARToolbox	1	0	Cc1cccc([C@@H](C)c2c[nH]c[nH+]2)c1C	Cc1cccc([C@@H](C)c2c[nH]cn2)c1C	mol15709	Cc1cccc(C(C)c2c[nH]cn2)c1C