pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	Baltruschat ChEMBL	2	1	CC1(C)CN2C(CS/C(NC3CCCCC3)=[NH+]\C3CCCCC3)=CSC2=[NH+]1	CC1(C)CN2C(CS/C(=N\C3CCCCC3)NC3CCCCC3)=CSC2=[NH+]1,CC1(C)CN2C(CS/C(NC3CCCCC3)=[NH+]\C3CCCCC3)=CSC2=N1	mol17966	CC1(C)CN2C(CS/C(=N\C3CCCCC3)NC3CCCCC3)=CSC2=N1