pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	Baltruschat ChEMBL	1	0	Cc1[nH]c2ccccc2c1[C@H]1CCC[NH+](Cc2ccc(/C=C/C(=O)NO)cc2)C1	Cc1[nH]c2ccccc2c1[C@H]1CCC[NH+](Cc2ccc(/C=C/C(=O)N[O-])cc2)C1,Cc1[nH]c2ccccc2c1[C@H]1CCCN(Cc2ccc(/C=C/C(=O)NO)cc2)C1	mol19963	Cc1[nH]c2ccccc2c1C1CCCN(Cc2ccc(/C=C/C(=O)NO)cc2)C1