pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	Baltruschat ChEMBL	1	0	CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1	CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1	mol17490	CCNC(C)Cc1cccc(C(F)(F)F)c1
9.1	AttenGpKa training set	1	0	CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1	CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1	mol17490	CCNC(C)Cc1cccc(C(F)(F)F)c1