pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Baltruschat ChEMBL	1	0	[NH3+]C[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1	NC[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1	mol18434	NC[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1