0  B27R2.7306486212  C/C=C/1\C[C@@H]([C@](C(=O)OCC2=CCN(CC[C@H](C2=O)OC1=O)C)(C)O)C MCULE-5821370064 [0,0,0,0,0,0|0,0,0]=0
1  B27R2.7306486212  C/C=C\1/C[C@@H]([C@@](C(=O)OCC2=CCN(CC[C@H](C2=O)OC1=O)C)(C)O)C MCULE-3899060736 [0,0,0,0,0,0|0,0,0]=0
2  B27R2.7306486212  CC=C1C[C@H]([C@@](C(=O)OCC2=CCN(CC[C@H](C2=O)OC1=O)C)(C)O)C MCULE-8717284275 [0,0,0,0,0,0|0,0,0]=0
3  B28R2.8423799363  CCC1C(=O)O[C@@H]2CCN(CC=C(C2=O)COC(=O)[C@@]([C@H]([C@H]1O)C)(C)O)C MCULE-2428319267 [0,1,0,0,0,0|0,0,2]=3
4  B28R2.20963320710  C[C@H]1C/C(=C\CO)/C(=O)O[C@@H]2CCN(CC=C(C2=O)COC(=O)[C@]1(C)O)C MCULE-5436375868 [0,1,0,0,0,0|0,0,0]=1
5  B29R2.25385815815  C[C@@H](Cl)[C@@]1(C[C@H]([C@@](C(=O)OCC2=CCN(CC[C@H](C2=O)OC1=O)C)(C)O)C)O MCULE-1058563198 [0,2,0,0,0,0|0,0,2]=4
6  B29R2.25385815815  C[C@@H](O)[C@]1(C[C@H]([C@@](C(=O)OCC2=CCN(CC[C@H](C2=O)OC1=O)C)(C)O)C)O MCULE-4560871623 [0,2,0,0,0,0|0,0,2]=4
7  B29R3.23148822110  C1(C[C@@]2(O[C@H]2C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C)C MCULE-1633311892 [0,1,0,1,0,0|0,0,2]=4
8  B29R3.23148822110  CC1CC2(OC2C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C MCULE-5366881602 [0,1,0,1,0,0|0,0,2]=4
9  B29R3.23148822110  [C@H]1(O[C@@]12C[C@H]([C@@](C(=O)OCC3=CCN(CC[C@H](C3=O)OC2=O)C)(C)O)C)C MCULE-1171986869 [0,1,0,1,0,0|0,0,2]=4
10  B29R3.23148822110  [C@H]1(O[C@@]12C[C@H]([C@@](C(=O)OCC3=CCN(CC[C@H](C3=O)OC2=O)C)(C)O)C)C MCULE-3399706571 [0,1,0,1,0,0|0,0,2]=4
11  B30R2.21220302112  CC=C1C[C@H]([C@](C(=O)OCC2=CCN(CC[C@H](C2=O)OC1=O)C)(C)OC(=O)C)C MCULE-6786072774 [0,3,0,0,0,0|0,0,0]=3
12  B26R3.1879649066  CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)C MCULE-5521629446 [2,0,0,1,0,0|0,0,1]=4
13  B26R3.1879649066  [C@@H]12CCN3[C@@H]1C(=CC3)COC(=O)[C@]([C@@H](CC(=CC)C(=O)O2)C)(C)O MCULE-1560155238 [2,0,0,1,0,0|0,0,1]=4
14  B26R3.1879649066  [C@H]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)/C[C@@H]([C@@](C(=O)OC3)(C)O)C MCULE-4300429692 [2,0,0,1,0,0|0,0,1]=4
15  B26R3.1879649066  [C@H]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)/C[C@H]([C@@](C(=O)OC3)(C)O)C MCULE-1599397850 [2,0,0,1,0,0|0,0,1]=4