pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.25	Baltruschat ChEMBL	0	-1	N#CCc1ccc(O)c2ncccc12	N#CCc1ccc([O-])c2ncccc12	mol19469	N#CCc1ccc(O)c2ncccc12
0.0	Baltruschat ChEMBL	1	0	N#CCc1ccc(O)c2[nH+]cccc12	N#CCc1ccc(O)c2ncccc12	mol19469	N#CCc1ccc(O)c2ncccc12
4.3	Baltruschat ChEMBL	1	0	N#CCc1ccc(O)c2[nH+]cccc12	N#CCc1ccc(O)c2ncccc12	mol19469	N#CCc1ccc(O)c2ncccc12