pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.65	Datawarrior	1	0	Cc1ccc2[nH+]c(C)c3c(c2c1)O[C@H](C)[C@@H]3C	Cc1ccc2nc(C)c3c(c2c1)O[C@H](C)[C@@H]3C	mol15291	Cc1ccc2nc(C)c3c(c2c1)OC(C)C3C
7.6500001	OCHEM	1	0	Cc1ccc2[nH+]c(C)c3c(c2c1)O[C@H](C)[C@@H]3C	Cc1ccc2nc(C)c3c(c2c1)O[C@H](C)[C@@H]3C	mol15291	Cc1ccc2nc(C)c3c(c2c1)OC(C)C3C
7.65000009536743	QSARToolbox	1	0	Cc1ccc2[nH+]c(C)c3c(c2c1)O[C@H](C)[C@@H]3C	Cc1ccc2nc(C)c3c(c2c1)O[C@H](C)[C@@H]3C	mol15291	Cc1ccc2nc(C)c3c(c2c1)OC(C)C3C