pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.19	OCHEM	1	0	Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)[nH+]c2c(C)c(C)n(C[C@H](C)O)c12,Cc1cccc(C)c1C[NH2+]c1cc(C(=O)N(C)C)nc2c(C)c(C)n(C[C@H](C)O)c12	Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(C[C@H](C)O)c12	mol19303	Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(CC(C)O)c12
7.19000005722046	QSARToolbox	1	0	Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)[nH+]c2c(C)c(C)n(C[C@H](C)O)c12,Cc1cccc(C)c1C[NH2+]c1cc(C(=O)N(C)C)nc2c(C)c(C)n(C[C@H](C)O)c12	Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(C[C@H](C)O)c12	mol19303	Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(CC(C)O)c12