pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.23	Manchester	1	0	OC1CN(C2=Nc3[nH+]cccc3C(c3ccccc3)=N[C@@H]2c2cccs2)C1,OC1CN(C2=Nc3ncccc3C(c3ccccc3)=[NH+][C@@H]2c2cccs2)C1,OC1CN(C2=[NH+]c3ncccc3C(c3ccccc3)=N[C@@H]2c2cccs2)C1	OC1CN(C2=Nc3ncccc3C(c3ccccc3)=N[C@@H]2c2cccs2)C1	mol2626	OC1CN(C2=Nc3ncccc3C(c3ccccc3)=NC2c2cccs2)C1