pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.57	Datawarrior	1	0	CC[C@]12CCC[NH+]3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4CC1)[C@@H]32	CC[C@]12CCCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4CC1)[C@@H]32	mol15004	CC[C@]12CCCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4CC1)[C@@H]32