pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.84	OCHEM	1	0	CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)[nH+]c2c(Br)c(C)[nH]c12,CCc1cccc(C)c1C[NH2+]c1cc(C(=O)N(C)C)nc2c(Br)c(C)[nH]c12	CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(Br)c(C)[nH]c12	mol19313	CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(Br)c(C)[nH]c12
5.84000015258789	QSARToolbox	1	0	CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)[nH+]c2c(Br)c(C)[nH]c12,CCc1cccc(C)c1C[NH2+]c1cc(C(=O)N(C)C)nc2c(Br)c(C)[nH]c12	CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(Br)c(C)[nH]c12	mol19313	CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(Br)c(C)[nH]c12