pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.53	Baltruschat ChEMBL	0	-1	OCc1ccc(O)c2ncccc12	[O-]c1ccc(CO)c2cccnc12	mol19468	OCc1ccc(O)c2ncccc12
0.0	Baltruschat ChEMBL	1	0	OCc1ccc(O)c2[nH+]cccc12	OCc1ccc(O)c2ncccc12	mol19468	OCc1ccc(O)c2ncccc12
4.93	Baltruschat ChEMBL	1	0	OCc1ccc(O)c2[nH+]cccc12	OCc1ccc(O)c2ncccc12	mol19468	OCc1ccc(O)c2ncccc12