pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	AttenGpKa training set	1	0	CCN(CC)CC[NH2+][C@H](C(=O)OCCC(C)C)c1ccccc1,CC[NH+](CC)CCN[C@H](C(=O)OCCC(C)C)c1ccccc1	CCN(CC)CCN[C@H](C(=O)OCCC(C)C)c1ccccc1	mol29855	CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1