pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.90000009536743	QSARToolbox	1	0	COc1ccc[nH+]c1C(=O)N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,COc1cccnc1C(=[OH+])N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2	COc1cccnc1C(=O)N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2	mol34870	COc1cccnc1C(=O)NC12CC3CC(CC(C3)C1)C2