pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	Baltruschat ChEMBL	1	0	C1COC(NC(C2CC2)C2CC2)=[NH+]1	C1COC(NC(C2CC2)C2CC2)=N1	mol17468	C1COC(NC(C2CC2)C2CC2)=N1
9.22	Baltruschat ChEMBL	1	0	C1COC(NC(C2CC2)C2CC2)=[NH+]1	C1COC(NC(C2CC2)C2CC2)=N1	mol17468	C1COC(NC(C2CC2)C2CC2)=N1