0 B30R4.2468419591 CC12C=CC(=O)C=C1C(F)CC3C2C(O)CC4(C)C3CCC4(O)C(=O)CO Amb22732100 [0,0,0,0,0,0|1,0,0]=1 1 B30R4.2468419591 CC12CC(=O)C3C(CC(Cl)C4=CC(=O)C=CC43C)C1CCC2(O)C(=O)CO Amb22731978 [0,0,0,0,0,0|1,0,2]=3 2 B30R4.2468419591 CC12CC(O)C3C(C=C(Cl)C4=CC(=O)C=CC43C)C1CCC2(O)C(=O)CO Amb22732005 [0,0,0,0,0,0|1,0,2]=3 3 B30R4.2468419591 C[C@@H]1C[C@H]2[C@@H](C(=O)C[C@]3(C)[C@@H]2CC[C@@]3(O)C(=O)CO)[C@]4(C)C=CC(=O)C=C41 Amb19133202 [0,0,0,0,0,0|0,0,2]=2 4 B30R4.2468419591 C[C@@H]1C[C@H]2[C@@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@@]3(O)C(=O)CO)[C@]4(C)C=CC(=O)C=C41 Amb19133203 [0,0,0,0,0,0|0,0,0]=0 5 B30R4.2468419591 C[C@@]12C[C@@H](O)C3C(C[C@@H](O)C4=CC(=O)CC[C@]43C)C1CC[C@@]2(O)C(=O)CO Amb22800454 [0,0,0,0,0,0|1,0,2]=3 6 B30R4.2468419591 C[C@@]12C[C@@H](O)[C@@H]3[C@H](C[C@@H](O)C4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)C(=O)CO Amb19132568 [0,0,0,0,0,0|1,0,2]=3 7 B30R4.2468419591 C[C@@]12C[C@@H](O)[C@@H]3[C@H](C[C@H](O)C4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)C(=O)CO Amb19132705 [0,0,0,0,0,0|1,0,0]=1 8 B30R4.2468419591 C[C@@]12C[C@@H](O)[C@@H]3[C@H](C[C@H](O)C4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)C(=O)CO Amb19132567 [0,0,0,0,0,0|1,0,2]=3 9 B30R4.2468419591 C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@@H]3[C@@H]2[C@@H](O)C[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO Amb22167256 [0,0,0,0,0,0|1,0,0]=1 10 B30R4.2468419591 OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)O Amb17615239 [0,0,0,0,0,0|1,0,2]=3 11 B30R4.2468419591 [C@@H]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(O)[C@H]3[C@H]2C[C@H](C)C4=CC(=O)C=C[C@]34C Amb17942962 [0,0,0,0,0,0|0,0,0]=0 12 B29R4.8253908594 CC12C=CC(=O)C=C1CCC3[C@@H]2C(O)CC4(C)[C@H]3CC[C@]4(O)C(=O)CO Amb24312670 [1,0,0,0,0,0|0,0,0]=1 13 B29R4.8253908594 CC12CCC(=O)C=C1CCC3C2C(O)CC4(C)C3CCC4(O)C(=O)CS Amb22732513 [1,0,0,0,0,0|0,1,2]=4 14 B29R4.8253908594 C[C@@]12C=CC(=O)C=C1C=C[C@H]3[C@H]2[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]4(O)C(=O)CO Amb19131468 [1,0,0,0,0,0|0,0,2]=3 15 B29R4.8253908594 C[C@@]12C=CC(=O)C=C1CC[C@H]3[C@H]2[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]4(O)C(=O)CO Amb19297841 [1,0,0,0,0,0|0,0,0]=1 16 B29R4.8253908594 C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)C(=O)CO Amb19133689 [1,0,0,0,0,0|0,0,2]=3 17 B29R4.8253908594 C[C@@]12CCC(=O)C=C1CC[C@H]3[C@H]2[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]4(O)C(=O)CO Amb19132527 [1,0,0,0,0,0|0,0,2]=3 18 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)CN Amb22756770 [1,0,0,0,0,0|1,0,0]=2 19 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@@H](O)CO Amb19132708 [1,0,0,0,0,0|0,0,2]=3 20 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@H](O)CO Amb19132707 [1,0,0,0,0,0|0,0,2]=3 21 B29R4.8253908594 NCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C Amb15690688 [1,0,0,0,0,0|1,0,2]=4 22 B29R4.8253908594 NCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C Amb15690686 [1,0,0,0,0,0|1,0,0]=2 23 B29R4.8253908594 OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C3C2CCC4=CC(=O)C=C[C@]34C Amb10843706 [1,0,0,0,0,0|0,0,0]=1 24 B29R4.8253908594 [C@@H]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@@H](O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C Amb17772328 [1,0,0,0,0,0|0,0,2]=3 25 B31R4.3868520422 OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F Amb13889651 [0,1,0,0,0,0|1,0,0]=2 26 B28R4.967132669 CC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C Amb22730498 [2,0,0,0,0,0|0,0,0]=2 27 B28R4.967132669 C[C@@]12CC(=O)[C@@H]3C(CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)C(O)=O Amb24123139 [2,0,0,0,0,0|0,0,2]=4 28 B28R4.967132669 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)=O Amb23437635 [2,0,0,0,0,0|0,0,0]=2 29 B28R4.967178924 CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@@H](C)C4=CC(=O)CC[C@@]4(C)[C@@H]3[C@H](O)C[C@]21C Amb24273842 [2,0,0,0,0,0|0,0,2]=4 30 B28R4.1136611681 C[C@@]12CCC(=O)C=C1CC[C@H]3[C@H]2[C@H](O)C[C@@]4(C)[C@@H](CC[C@@H]43)C(=O)CO Amb19131316 [2,0,0,0,0,0|0,0,2]=4 31 B28R4.1146461172 CC12CCC3C(CCC4=CC(=O)CCC43C)C1CC[C@@]2(O)C(=O)CO Amb22757588 [2,0,0,0,0,0|0,0,2]=4 32 B28R4.1146461172 C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)C(=O)CO Amb19131563 [2,0,0,0,0,0|0,0,0]=2 33 B28R4.1146461172 C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)C(=O)CO Amb19131509 [2,0,0,0,0,0|0,0,2]=4 34 B30R4.2228046113 O=C1C=C[C@]2(C(=C1)[C@@H](C)C[C@@H]3[C@]2(F)[C@@H](C)C[C@]4([C@H]3CC[C@]4(O)C(=O)C)C)C Amb17614426 [1,1,0,0,0,0|1,0,0]=3 35 B30R4.1310497884 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(C)C(=O)CC Amb22731840 [1,1,0,0,0,0|2,0,0]=4 36 B30R4.1310497884 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)CO Amb22522919 [1,1,0,0,0,0|0,0,0]=2 37 B30R4.1310497884 CCC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C Amb17619940 [1,1,0,0,0,0|2,0,0]=4 38 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 Amb19132998 [1,1,0,0,0,0|0,0,2]=4 39 B30R4.1310497884 C[C@@]12CC(O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1C[C@H](O)[C@@]2(O)C(=O)CO Amb22745299 [1,1,0,0,0,0|0,0,0]=2 40 B30R4.1310497884 C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1C[C@@H](O)[C@@]2(O)C(=O)CO Amb19134035 [1,1,0,0,0,0|0,0,0]=2 41 B30R4.1310497884 C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1C[C@H](O)[C@@]2(O)C(=O)CO Amb19134034 [1,1,0,0,0,0|0,0,0]=2 42 B30R4.1310497884 OCC(=O)C1(O)C(C)CC2C1(C)CC(=O)C3C2CCC4=CC(=O)C=CC34C Amb15690641 [1,1,0,0,0,0|0,0,2]=4 43 B30R4.1310497884 OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C)C[C@H](O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C Amb17620517 [1,1,0,0,0,0|0,0,0]=2 44 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@]34C Amb17772263 [1,1,0,0,0,0|0,0,0]=2 45 B30R4.2427940173 C[C@@]12C=CC(=O)C=C1CC[C@H]3[C@H]2[C@H](O)C[C@]4(C)[C@]3(O)CC[C@@]4(O)C(=O)CO Amb19132706 [1,1,0,0,0,0|0,0,0]=2 46 B30R4.2468447894 CC12C=CC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(Cl)C23Cl Amb22734304 [1,1,0,0,0,0|1,0,0]=3 47 B30R4.2468447894 CC12C=CC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C23F Amb22731310 [1,1,0,0,0,0|0,0,0]=2 48 B30R4.2468447894 CC12C=CC(=O)C=C1CCC3C4CC[C@@](O)(C(=O)CO)C4(C)CC(O)[C@@]23F Amb24126456 [1,1,0,0,0,0|0,0,0]=2 49 B30R4.2468447894 C[C@@]12CCC(=O)C=C1CC[C@@H]3[C@H]4CC[C@@](O)(C(=O)CO)[C@]4(C)C[C@@H](O)[C@@]23F Amb19132329 [1,1,0,0,0,0|0,0,2]=4 50 B30R4.2467081517 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO Amb22734668 [1,1,0,0,0,0|1,0,0]=3 51 B32R4.3406213674 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl Amb22733321 [0,2,0,0,0,0|2,0,0]=4 52 B32R4.3406213674 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO Amb22730575 [0,2,0,0,0,0|1,0,0]=3 53 B32R4.3406213674 C[C@@H]1C[C@@H]2[C@H]3C[C@@H](F)C4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@H](O)C[C@@]2(C)[C@]1(O)C(=O)CO Amb19131818 [0,2,0,0,0,0|1,0,0]=3 54 B30R5.1401553300 CC12C=CC(=O)C=C1CCC3C4CC[C@@](O)(C(=O)CO)C4(C)CC5OC235 Amb24300770 [1,0,0,1,0,0|0,0,0]=2 55 B30R5.1401553300 C[C@@]12CCC(=O)C=C1CC[C@@H]3[C@H]4CC[C@@](O)(C(=O)CO)[C@]4(C)C[C@H]5O[C@@]235 Amb19132526 [1,0,0,1,0,0|0,0,2]=4 56 B30R5.1401553300 OCC(=O)[C@@]1(O)CCC2C1(C)CC3OC34C2CCC5=CC(=O)C=CC45C Amb10591919 [1,0,0,1,0,0|0,0,0]=2