SetDirectory["..."]; data = Import["ABC.dat"] // Transpose; ci = data[[2 ;; 4, All]]; pfun = ParametricNDSolveValue[{aa'[t] == -k1*aa[t], bb'[t] == -k2*bb[t] + k1*aa[t], cc'[t] == k2*bb[t], aa[ti[[1]]] == 1, bb[ti[[1]]] == 0, cc[ti[[1]]] == 0}, {aa, bb, cc}, {t, 0, 200}, {k1, k2}]; f[k1_?NumericQ, k2_?NumericQ] := Sum[Total[(ci[[i, All]] - Map[pfun[k1, k2][[i]], ti])^2], {i, 1, 3}] // Quiet fit = NMinimize[f[k1, k2], {k1, k2}]; params = fit // Last Table[Show[ListPlot[Transpose[{ti, ci[[i]]}]], Plot[(pfun[k1, k2] /. params)[[i]][t], {t, ti[[1]], ti // Last}]], {i, 1, 3}]