Mid0001

C6H11NO2

129.16

C1CCNC(C1)C(=O)O

kegg_C00408;CID_439227;knapsack_C00001387

Mid0002

C7H7NO2

137.14

C[N+]1=CC=CC(=C1)C(=O)[O-]

CAS:535-83-1;KEGG:C01004;

Mid0008

C10H12N4O6

284.23

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O

CAS:146-80-5

Mid0013

C23H37NO5

407.5

CCN1CC2(CCC(C34C2CC(C31)(C5(CC(C6CC4C5C6O)OC)OC)O)O)C

knapsack_C00027946

Mid0017

C17H23NO3

289.4

CN1CCC2(C1CC(=O)CC2)C3=CC(=C(C=C3)OC)OC

kegg_C09224;knapsack_C00001749

Mid0019

C11H19NO

181.1466642

C1CC[C@@H]2[C@H]3[C@@H]1CCCN3COC2

knapsack_C00026359

Mid0021

C8H7NO

133.15

C1C2=CC=CC=C2NC1=O

CAS:59-48-3;KEGG:C12312;

Mid0022

C5H4N4O2

152.11

C1=NC2=C(N1)C(=O)NC(=O)N2

CAS:69-89-6;KEGG:C00385;

Mid0023

C13H17NO3

235.28

CC1=C(OC2=C(C1=O)C3CCC(C2O)N3C)C

knapsack_C00046985

Mid0024

C19H33NO3

323.5

CC(CC=C(C)C(C(C)O)O)C=C1CC(C2CCCN2C1)(C)O

knapsack_C00028887