pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.82	Manchester	1	0	OCCNC1=Nc2ccccc2C(c2ccccc2)=[NH+][C@H]1c1cccs1,OCCNC1=[NH+]c2ccccc2C(c2ccccc2)=N[C@H]1c1cccs1	OCCNC1=Nc2ccccc2C(c2ccccc2)=N[C@H]1c1cccs1	mol2619	OCCNC1=Nc2ccccc2C(c2ccccc2)=NC1c1cccs1