pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.9	Baltruschat ChEMBL	1	0	CC[C@@H](c1ccccc1)N(CC)c1ncc(O)c[nH+]1,CC[C@@H](c1ccccc1)[NH+](CC)c1ncc(O)cn1	CC[C@@H](c1ccccc1)N(CC)c1ncc(O)cn1	mol17639	CCC(c1ccccc1)N(CC)c1ncc(O)cn1