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Fragment_name,C_in_backbone,C_in_deriv_group,H,N,O,P,S,Si

Ala[M-57],3,8,26,1,2,0,0,2

Asp[M-57],4,14,40,1,4,0,0,3

Glu[M-57],5,14,42,1,4,0,0,3

Pro[M-57],5,8,28,1,2,0,0,2

Gly[M-57],2,8,24,1,2,0,0,2

Ser[M-57],3,14,40,1,3,0,0,3

3PG[M-57],3,20,54,0,7,1,0,4

PEP[M-57],3,14,38,0,6,1,0,3

Pyr[M-57],3,3,12,1,3,0,0,1

Lac[M-57],3,8,25,0,3,0,0,2

Cit[M-189],6,14,39,0,6,0,0,3

aKG[M-57],5,9,28,1,5,0,0,2

Suc[M-57],4,8,25,0,4,0,0,2

Fum[M-57],4,8,23,0,4,0,0,2

Mal[M-57],4,14,39,0,5,0,0,3