pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.02	Baltruschat ChEMBL	1	0	Cc1cccc([NH2+]c2cc(C(C)C)c(C(=O)NCC3CCC3)cn2)c1,Cc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCC3)c[nH+]2)c1	Cc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCC3)cn2)c1	mol18381	Cc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCC3)cn2)c1