pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.87	Baltruschat ChEMBL	1	0	C[NH+]1CC[C@H]2CCC[C@@H](NS(=O)(=O)c3ccccc3)[C@@H]2C1	CN1CC[C@H]2CCC[C@@H](NS(=O)(=O)c3ccccc3)[C@@H]2C1	mol20084	CN1CC[C@H]2CCC[C@@H](NS(=O)(=O)c3ccccc3)[C@@H]2C1