pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.68	Baltruschat ChEMBL	0	-1	CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1	C[N-]S(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1	mol141	CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
9.5	OCHEM	1	0	CNS(=O)(=O)Cc1ccc2[nH]cc(CC[NH+](C)C)c2c1	CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1	mol141	CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
8.93	OCHEM	1	0	CNS(=O)(=O)Cc1ccc2[nH]cc(CC[NH+](C)C)c2c1	CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1	mol141	CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
9.64	OCHEM	1	0	CNS(=O)(=O)Cc1ccc2[nH]cc(CC[NH+](C)C)c2c1	CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1	mol141	CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
9.4	Baltruschat ChEMBL	1	0	CNS(=O)(=O)Cc1ccc2[nH]cc(CC[NH+](C)C)c2c1	CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1	mol141	CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1