pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	Baltruschat ChEMBL	1	0	CC[C@H](c1ccccc1)[NH+](CC)c1ccc(O)cn1,CC[C@H](c1ccccc1)N(CC)c1ccc(O)c[nH+]1	CC[C@H](c1ccccc1)[NH+](CC)c1ccc([O-])cn1,CC[C@H](c1ccccc1)N(CC)c1ccc(O)cn1	mol17637	CCC(c1ccccc1)N(CC)c1ccc(O)cn1