pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	Baltruschat ChEMBL	1	0	C#CCN(C1=[NH+]CCN1)c1c(Br)cccc1Br	C#CCN(C1=NCCN1)c1c(Br)cccc1Br	mol17114	C#CCN(C1=NCCN1)c1c(Br)cccc1Br