pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	Manchester	1	0	FCCNC1=[NH+]c2ncccc2C(c2ccccc2)=N[C@@H]1c1cccs1,FCCNC1=Nc2[nH+]cccc2C(c2ccccc2)=N[C@@H]1c1cccs1,FCCNC1=Nc2ncccc2C(c2ccccc2)=[NH+][C@@H]1c1cccs1	FCCNC1=Nc2ncccc2C(c2ccccc2)=N[C@@H]1c1cccs1	mol2624	FCCNC1=Nc2ncccc2C(c2ccccc2)=NC1c1cccs1