pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.51	OCHEM	1	0	CCC[C@H](Cn1c[nH+]cn1)c1ccc(Cl)cc1Cl,CCC[C@H](Cn1cnc[nH+]1)c1ccc(Cl)cc1Cl	CCC[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl	mol31675	CCCC(Cn1cncn1)c1ccc(Cl)cc1Cl