pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.63	Datawarrior	1	0	COC(=O)N1c2ccccc2[C@@]23CC[NH+]4CC=C[C@]5(CC[C@]12[C@](O)(C(=O)OC)[C@H]5O)[C@H]43	COC(=O)N1c2ccccc2[C@@]23CCN4CC=C[C@]5(CC[C@]12[C@](O)(C(=O)OC)[C@H]5O)[C@H]43	mol14419	COC(=O)N1c2ccccc2[C@@]23CCN4CC=C[C@]5(CC[C@]12[C@](O)(C(=O)OC)C5O)[C@H]43