0  B31R4.3868533394  [C@@H]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@]3(F)[C@@]4(C)C=CC(=O)C=C4CC[C@@H]23 M14675 [0,0,0,0,0,0|0,0,0]=0
1  B31R4.3868533394  [C@@H]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@]3(F)[C@@]4(C)C=CC(=O)C=C4CC[C@@H]23 M11007 [0,0,0,0,0,0|1,0,0]=1
2  B31R4.3868533394  [C@@H]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@]3(Cl)[C@@]4(C)C=CC(=O)C=C4CC[C@@H]23 M22752 [0,0,0,0,0,0|0,1,0]=1
3  B31R4.3868533394  [C@@H]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@]3(F)[C@@]4(C)C=CC(=O)C=C4CC[C@@H]23 M14306 [0,0,0,0,0,0|0,0,0]=0
4  B30R4.1310497884  C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO M17903 [1,0,0,0,0,0|0,0,2]=3
5  B30R4.1310497884  [C@@H]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@@]43C M21638 [1,0,0,0,0,0|1,0,0]=2
6  B30R4.2467147937  C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO M18497 [1,0,0,0,0,0|0,0,0]=1
7  B30R4.2468447894  C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO M26796 [1,0,0,0,0,0|0,0,2]=3
8  B32R4.3406213674  [C@@H]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@]3(F)[C@@]4(C)C=CC(=O)C=C4[C@@H](F)C[C@@H]23 M13401 [0,1,0,0,0,0|0,0,0]=1
9  B32R4.3406213674  [C@@H]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@]3(F)[C@@]4(C)C=CC(=O)C=C4[C@@H](F)C[C@@H]23 M13767 [0,1,0,0,0,0|0,0,0]=1
10  B29R4.8253908594  CC12C=CC(=O)C=C1CCC3C2C(=O)CC4(C)C3CCC4(O)C(=O)CO M14881 [2,0,0,0,0,0|0,0,2]=4
11  B29R4.8253908594  C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO M14697 [2,0,0,0,0,0|0,0,0]=2
12  B29R4.8253908594  [C@@H]12CCC3=CC(=O)CC[C@]3(C)[C@H]1[C@@H](O)C[C@@]4(C)[C@H]2CC[C@]4(O)C(=O)CO M14696 [2,0,0,0,0,0|0,0,2]=4
13  B29R4.8259369516  C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO M23477 [2,0,0,0,0,0|0,0,2]=4
14  B31R5.1153117231  [C@H]12C[C@@]3(C)[C@@H](C[C@@H](C)[C@]3(O)C(=O)CO)[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]14O2 M24136 [1,0,0,1,0,0|0,0,0]=2