pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7	Baltruschat ChEMBL	1	0	NC1=[NH+][C@H]2CC[C@@H](NC(=O)c3cccc(Cl)c3)C[C@H]2CS1	NC1=N[C@H]2CC[C@@H](NC(=O)c3cccc(Cl)c3)C[C@H]2CS1	mol18534	NC1=NC2CCC(NC(=O)c3cccc(Cl)c3)CC2CS1