0 B15R0.1219 CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)O MCULE-2715400748 [0,0,0,0,0,0|0,0,0]=0 1 B15R0.1219 CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)O MCULE-4876714456 [0,0,0,0,0,0|0,0,0]=0 2 B14R0.1435 CC(=O)NCCNC(=O)[C@@H](N)C(C)(C)C MCULE-1197437436 [1,0,0,0,0,0|3,0,0]=4 3 B14R0.1435 CC(C)(C)[C@H](N)C(=O)NCCCC(=O)O MCULE-8566856629 [1,0,0,0,0,0|1,0,0]=2 4 B16R0.8809 CC(C)(CO)C(O)C(=O)NCCCS(=O)(=O)[O-] MCULE-1791217794 [0,1,0,0,0,0|1,0,1]=3 5 B16R0.8809 CC(C)(CO)C(O)C(=O)NCCCS(=O)(=O)[O-] MCULE-4938211914 [0,1,0,0,0,0|1,0,1]=3 6 B14R0.351 CC(C)(CO)C(O)C(=O)NCCC(=O)O MCULE-3265382460 [0,0,0,0,1,0|0,0,0]=1 7 B14R0.351 CC(C)(CO)C(O)C(=O)NCCC(=O)[O-] MCULE-2056097738 [0,0,0,0,1,0|0,0,1]=2 8 B14R0.351 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O MCULE-5240561887 [0,0,0,0,1,0|0,0,0]=1 9 B14R0.351 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O MCULE-8097752290 [0,0,0,0,1,0|0,0,0]=1 10 B14R0.351 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-] MCULE-2421775254 [0,0,0,0,1,0|0,0,1]=2 11 B14R0.351 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-] MCULE-6723611574 [0,0,0,0,1,0|0,0,1]=2 12 B14R0.351 CC(C)(CO)[C@H](O)C(=O)NCCC(=O)[O-] MCULE-5786030044 [0,0,0,0,1,0|0,0,1]=2 13 B14R0.351 CC(C)(CO)[C@H](O)C(=O)NCCC(=O)[O-] MCULE-6976092896 [0,0,0,0,1,0|0,0,1]=2 14 B13R0.50 CC(C)[C@H](N)C(=O)OCCCC(=O)O MCULE-5482901669 [2,0,0,0,0,0|2,0,0]=4 15 B13R0.445 CC(=O)CCCNC(=O)OC(C)(C)C MCULE-7312498128 [2,0,0,0,0,0|2,0,0]=4 16 B13R0.445 CC(C)(C)NC(=O)NCCCC(=O)O MCULE-7779712359 [2,0,0,0,0,0|1,0,0]=3 17 B13R0.445 CC(C)(C)OC(=O)CCCCC(=O)O MCULE-3010480699 [2,0,0,0,0,0|2,0,0]=4 18 B13R0.445 CC(C)(C)OC(=O)NCCCC(=O)N MCULE-8822546690 [2,0,0,0,0,0|2,0,0]=4 19 B13R0.445 CC(C)(C)OC(=O)NCCCC(=O)O MCULE-7105199752 [2,0,0,0,0,0|1,0,0]=3 20 B13R0.1262 CC(C)(CO)C(O)C(=O)NCCC#N MCULE-3963612176 [2,0,0,0,0,0|1,0,1]=4 21 B13R0.1262 CC(C)(CO)C(O)C(=O)NCCCO MCULE-2403906933 [2,0,0,0,0,0|0,0,0]=2 22 B13R0.1262 CC(C)(CO)[C@@H](O)C(=O)NCCCO MCULE-3835575935 [2,0,0,0,0,0|0,0,0]=2 23 B13R0.1262 CC(C)(CO)[C@@H](O)C(=O)NCCCO MCULE-8002120726 [2,0,0,0,0,0|0,0,0]=2 24 B13R0.1262 CC(C)(CO)[C@H](O)C(=O)NCCCO MCULE-2237944433 [2,0,0,0,0,0|0,0,0]=2 25 B15R0.4297 CCOCCCNC(=O)C(O)C(C)(C)CO MCULE-3006448777 [1,1,0,0,0,0|1,0,1]=4 26 B15R0.4297 CCOCCCNC(=O)[C@H](O)C(C)(C)CO MCULE-7364922832 [1,1,0,0,0,0|1,0,1]=4 27 B15R0.1220 CC(C)(CO)C(O)C(=O)NCCS(=O)(=O)[O-] MCULE-1644670615 [0,1,0,0,1,0|1,0,1]=4 28 B15R0.1220 CC(C)(CO)C(O)C(=O)NCCS(=O)(=O)[O-] MCULE-8117435236 [0,1,0,0,1,0|1,0,1]=4 29 B15R0.1220 CC(C)(CO)[C@@H](O)C(=O)NCCS(=O)(=O)O MCULE-2549326165 [0,1,0,0,1,0|1,0,0]=3