pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.26	Datawarrior	0	-1	COc1cccc(OC)c1-c1nc2ncccc2[nH]1	COc1cccc(OC)c1-c1nc2ncccc2[n-]1	mol15566	COc1cccc(OC)c1-c1nc2ncccc2[nH]1
4.85	Datawarrior	1	0	COc1cccc(OC)c1-c1nc2[nH+]cccc2[nH]1,COc1cccc(OC)c1-c1[nH]c2cccnc2[nH+]1	COc1cccc(OC)c1-c1nc2ncccc2[nH]1	mol15566	COc1cccc(OC)c1-c1nc2ncccc2[nH]1
4.8499999	OCHEM	1	0	COc1cccc(OC)c1-c1nc2[nH+]cccc2[nH]1,COc1cccc(OC)c1-c1[nH]c2cccnc2[nH+]1	COc1cccc(OC)c1-c1nc2ncccc2[nH]1	mol15566	COc1cccc(OC)c1-c1nc2ncccc2[nH]1
4.84999990463257	QSARToolbox	1	0	COc1cccc(OC)c1-c1nc2[nH+]cccc2[nH]1,COc1cccc(OC)c1-c1[nH]c2cccnc2[nH+]1	COc1cccc(OC)c1-c1nc2ncccc2[nH]1	mol15566	COc1cccc(OC)c1-c1nc2ncccc2[nH]1