pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.79	Datawarrior	1	0	CO[C@H]1C=CC2=CC[NH+]3CC[C@H](CO)C(=CCO)[C@]23C1	CO[C@H]1C=CC2=CCN3CC[C@H](CO)C(=CCO)[C@]23C1	mol14696	CO[C@H]1C=CC2=CCN3CC[C@H](CO)C(=CCO)[C@]23C1