pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	Baltruschat ChEMBL	1	0	NC1=[NH+][C@@]23CC[C@H](NC(=O)c4cccc(Cl)c4)C[C@@]2(COC3)CS1	NC1=N[C@@]23CC[C@H](NC(=O)c4cccc(Cl)c4)C[C@@]2(COC3)CS1	mol18532	NC1=NC23CCC(NC(=O)c4cccc(Cl)c4)CC2(COC3)CS1