0 B24R2.23459406 CC(=O)NC1=CC=C(C=C1)OC2OC(C(C(C2O)O)O)C(=O)[O-] MCULE-1724189273 [0,0,0,0,0,0|0,0,1]=1 1 B24R2.23459406 CC(=O)NC1=CC=C(C=C1)OC2OC(C(C(C2O)O)O)C(=O)[O-] MCULE-2985305284 [0,0,0,0,0,0|0,0,1]=1 2 B24R2.23459406 CC(=O)NC1=CC=C(C=C1)O[C@@H]2OC([C@H](C(C2O)O)O)C(=O)O MCULE-2768025773 [0,0,0,0,0,0|0,0,0]=0 3 B24R2.23459406 CC(=O)NC1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)O MCULE-1430669929 [0,0,0,0,0,0|0,0,0]=0 4 B24R2.23459406 CC(=O)NC1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)O MCULE-7789668324 [0,0,0,0,0,0|0,0,0]=0 5 B24R2.23459406 CC(=O)NC1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)[O-] MCULE-2848631004 [0,0,0,0,0,0|0,0,1]=1 6 B24R2.23459406 CC(=O)NC1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)[O-] MCULE-8720113635 [0,0,0,0,0,0|0,0,1]=1 7 B23R2.20329 CC(=O)NC1=CC=C(C=C1)NC2OC(C(C(C2O)O)O)CO MCULE-7513535358 [1,0,0,0,0,0|1,0,1]=3 8 B23R2.20329 O=C(O)CC1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO MCULE-3401087677 [1,0,0,0,0,0|2,0,1]=4 9 B25R2.2394389 COC(=O)C1OC(C(C(C1O)O)O)OC2=CC=C(C=C2)NC(=O)C MCULE-6496233888 [0,1,0,0,0,0|0,0,0]=1 10 B25R2.2394389 COC(=O)[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC2=CC=C(C=C2)NC(=O)C MCULE-6988045471 [0,1,0,0,0,0|0,0,0]=1 11 B23R2.16062522 O=C(O)C1OC(C(C(C1O)O)O)OC2=CC=C(C=C2)N(=O)=O MCULE-4718455730 [0,0,0,0,1,0|2,0,0]=3 12 B23R2.16062522 O=C(O)C1O[C@H]([C@H](C([C@@H]1O)O)O)OC2=CC=C(C=C2)[N+](=O)[O-] MCULE-5122248675 [0,0,0,0,1,0|2,0,0]=3 13 B23R2.16062522 O=C(O)[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)OC2=CC=C(C=C2)[N+](=O)[O-] MCULE-8461568330 [0,0,0,0,1,0|2,0,0]=3 14 B23R2.16062522 O=C(O)[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC2=CC=C(C=C2)[N+](=O)[O-] MCULE-4452512924 [0,0,0,0,1,0|2,0,0]=3 15 B23R2.16062522 O=C(O)[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC2=CC=C(C=C2)[N+](=O)[O-] MCULE-7295835811 [0,0,0,0,1,0|2,0,0]=3 16 B23R2.16062522 O=C(O)[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)OC2=CC=C(C=C2)[N+](=O)[O-] MCULE-4268165097 [0,0,0,0,1,0|2,0,0]=3 17 B23R2.16062522 O=C([O-])C1OC(C(C(C1O)O)O)OC2=CC=C(C=C2)N(=O)=O MCULE-5784206144 [0,0,0,0,1,0|2,0,1]=4 18 B23R2.16062522 O=C([O-])[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC2=CC=C(C=C2)[N+](=O)[O-] MCULE-3510106516 [0,0,0,0,1,0|2,0,1]=4 19 B23R2.16062522 O=C([O-])[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC2=CC=C(C=C2)[N+](=O)[O-] MCULE-7056959041 [0,0,0,0,1,0|2,0,1]=4 20 B22R2.35686 C/C=C/C1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO MCULE-7243697587 [2,0,0,0,0,0|1,0,1]=4 21 B22R2.35686 CC=CC1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO MCULE-8486212673 [2,0,0,0,0,0|1,0,1]=4 22 B26R3.17436589 O=C1C=CC2=C(O1)C=C(C=C2)OC3OC(C(C(C3O)O)O)C(=O)O MCULE-5799136694 [0,0,0,1,0,1|2,0,0]=4 23 B22R2.18412 CC(=O)C1=CC=C(C=C1)NC2OC(C(C(C2O)O)O)CO MCULE-8513625931 [1,0,0,0,1,0|1,0,1]=4 24 B22R2.18412 CC(=O)C1=CC=C(C=C1)OC2OC(C(C(C2O)O)O)CO MCULE-7581260967 [1,0,0,0,1,0|0,0,1]=3 25 B22R2.18412 CC(=O)C1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO MCULE-4580263668 [1,0,0,0,1,0|0,0,1]=3 26 B22R2.18412 CC(=O)C1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO MCULE-5076104780 [1,0,0,0,1,0|0,0,1]=3 27 B22R2.18412 CC(=O)C1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO MCULE-1124714526 [1,0,0,0,1,0|0,0,1]=3 28 B22R2.18412 CC(=O)C1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO MCULE-6089769780 [1,0,0,0,1,0|0,0,1]=3 29 B22R2.18412 O=C(O)C1=CC=C(C=C1)OC2OC(C(C(C2O)O)O)CO MCULE-3592088060 [1,0,0,0,1,0|1,0,1]=4 30 B24R2.20810 CC(=O)CCC1=CC=C(C=C1)OC2OC(C(C(C2O)O)O)CO MCULE-1641915171 [1,0,0,0,0,1|1,0,1]=4 31 B24R2.20810 CC(=O)CCC1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO MCULE-2642647583 [1,0,0,0,0,1|1,0,1]=4 32 B24R2.20810 CC(=O)CCC1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO MCULE-5555127893 [1,0,0,0,0,1|1,0,1]=4