0 B11R1.727 CC1(CC=C(CC1)C(=O)O)C MCULE-8393208590 [0,0,0,0,1,0|0,0,3]=4 1 B11R1.727 CC1(CCC(CC1)C(=O)O)C MCULE-4077940511 [0,0,0,0,1,0|0,0,3]=4 2 B11R1.727 CC1(CCC(CO1)C(=O)O)C MCULE-6004318139 [0,0,0,0,1,0|1,0,2]=4 3 B11R1.727 CC1(CCC(OC1)C(=O)O)C MCULE-4564560513 [0,0,0,0,1,0|1,0,2]=4 4 B11R1.727 CC1(CNC(CO1)C(=O)O)C MCULE-4256075993 [0,0,0,0,1,0|2,0,1]=4 5 B11R1.727 CC1(CNC(CO1)C(=O)O)C MCULE-7885479811 [0,0,0,0,1,0|2,0,1]=4 6 B11R1.727 CC1(CN[C@@H](CO1)C(=O)O)C MCULE-4507731051 [0,0,0,0,1,0|2,0,1]=4 7 B11R1.727 CC1(CN[C@@H](CO1)C(=O)O)C MCULE-6942026456 [0,0,0,0,1,0|2,0,1]=4 8 B11R1.727 CC1(CN[C@@H](CO1)C(=O)O)C MCULE-8456032294 [0,0,0,0,1,0|2,0,1]=4 9 B11R1.727 CC1(CN[C@@H](CO1)C(=O)O)C MCULE-9879183937 [0,0,0,0,1,0|2,0,1]=4 10 B11R1.727 CC1(CN[C@H](CO1)C(=O)O)C MCULE-1777900508 [0,0,0,0,1,0|2,0,1]=4 11 B11R1.727 CC1(CN[C@H](CO1)C(=O)O)C MCULE-3103501136 [0,0,0,0,1,0|2,0,1]=4 12 B11R1.727 CC1(CN[C@H](CO1)C(=O)O)C MCULE-3507812849 [0,0,0,0,1,0|2,0,1]=4 13 B11R1.727 CC1(CN[C@H](CO1)C(=O)O)C MCULE-7408744740 [0,0,0,0,1,0|2,0,1]=4 14 B11R1.727 CC1(COC(CN1)C(=O)O)C MCULE-4924802724 [0,0,0,0,1,0|2,0,1]=4 15 B11R1.727 CC1(COC(CN1)C(=O)O)C MCULE-8615912536 [0,0,0,0,1,0|2,0,1]=4 16 B11R1.727 CC1(COC(CO1)C(=O)O)C MCULE-2956860789 [0,0,0,0,1,0|2,0,1]=4 17 B11R1.727 CC1(OCC(CO1)C(=O)O)C MCULE-4017939892 [0,0,0,0,1,0|2,0,1]=4 18 B11R1.730 CC1(CC(CCN1)C(=O)O)C MCULE-8159392480 [0,0,0,0,1,0|1,0,2]=4 19 B11R1.730 CC1(CC(CCO1)C(=O)O)C MCULE-5978480117 [0,0,0,0,1,0|1,0,2]=4 20 B11R1.730 CC1(CCCC(C1)C(=O)O)C MCULE-1597122526 [0,0,0,0,1,0|0,0,3]=4 21 B11R1.730 CC1(CCCC(O1)C(=O)O)C MCULE-6134883479 [0,0,0,0,1,0|1,0,2]=4 22 B11R1.730 CC1(CNCC(O1)C(=O)O)C MCULE-3850941228 [0,0,0,0,1,0|2,0,1]=4 23 B11R1.730 CC1(CNCC(O1)C(=O)O)C MCULE-4368873526 [0,0,0,0,1,0|2,0,1]=4 24 B11R1.730 CC1(COCC(N1)C(=O)O)C MCULE-9878578908 [0,0,0,0,1,0|2,0,1]=4 25 B11R1.730 CC1(COCC(O1)C(=O)O)C MCULE-8209803482 [0,0,0,0,1,0|2,0,1]=4 26 B10R1.348 O=C(O)C1C=CC=CC=C1 MCULE-2275958433 [2,0,0,0,0,0|0,0,2]=4 27 B12R1.1274 CC1(SCC(NC1=O)C(=O)O)C MCULE-5869664902 [0,1,0,0,1,0|2,0,0]=4 28 B12R1.258 CC(C)C1=CC(=CC=C1)C(=O)O MCULE-6541058430 [0,0,1,1,0,0|0,0,2]=4 29 B12R1.258 CC(C)C1=CC(=NC=C1)C(=O)O MCULE-6494461183 [0,0,1,1,0,0|1,0,1]=4 30 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O MCULE-7346179959 [0,0,1,1,0,0|0,0,2]=4 31 B12R1.256 CC(C)C1=CC=C(N=C1)C(=O)O MCULE-9415077903 [0,0,1,1,0,0|1,0,1]=4 32 B12R1.256 CC(C)C1=CN=C(C=C1)C(=O)O MCULE-5540057641 [0,0,1,1,0,0|1,0,1]=4 33 B10R0.23 C=CCC(CC(C)C)C(=O)O MCULE-2926764647 [0,0,1,0,1,0|0,0,1]=3 34 B10R1.13 CC1=CC=C(C=C1)C(=O)O MCULE-2497536187 [1,0,0,0,1,0|0,0,2]=4 35 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O MCULE-2821947139 [1,0,0,0,1,0|1,0,1]=4 36 B10R1.113 NC1C=CCC(C1)C(=O)O MCULE-4308750395 [1,0,0,0,1,0|1,0,1]=4 37 B10R1.113 NC1C=CCC(C1)C(=O)O MCULE-5984594154 [1,0,0,0,1,0|1,0,1]=4 38 B10R1.113 N[C@@H]1C=CCC(C1)C(=O)O MCULE-5349723370 [1,0,0,0,1,0|1,0,1]=4 39 B10R1.113 N[C@@H]1C=CCC(C1)C(=O)O MCULE-8912699325 [1,0,0,0,1,0|1,0,1]=4 40 B10R1.113 N[C@H]1C=CCC(C1)C(=O)O MCULE-1166952810 [1,0,0,0,1,0|1,0,1]=4 41 B10R1.113 N[C@H]1C=CCC(C1)C(=O)O MCULE-4761766781 [1,0,0,0,1,0|1,0,1]=4 42 B10R1.113 O=C(O)[C@@H]1CC=C[C@@H](C1)O MCULE-3205925226 [1,0,0,0,1,0|1,0,1]=4 43 B10R1.359 CC1(CC(CO1)C(=O)O)C MCULE-2939144976 [0,0,0,0,2,0|1,0,1]=4 44 B10R1.359 CC1(CCC(C1)C(=O)O)C MCULE-9978136872 [0,0,0,0,2,0|0,0,2]=4 45 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5310172848 [0,0,0,0,2,0|1,0,1]=4 46 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5921965282 [0,0,0,0,2,0|1,0,1]=4 47 B10R1.359 CC1(CCC(O1)C(=O)O)C MCULE-6347581531 [0,0,0,0,2,0|1,0,1]=4 48 B10R1.359 CC1(CNC(C1)C(=O)O)C MCULE-3559457457 [0,0,0,0,2,0|1,0,1]=4 49 B10R1.359 CC1(CNC(C1)C(=O)O)C MCULE-4286050645 [0,0,0,0,2,0|1,0,1]=4 50 B10R1.359 CC1(CN[C@@H](C1)C(=O)O)C MCULE-2704032687 [0,0,0,0,2,0|1,0,1]=4 51 B10R1.359 CC1(CN[C@@H](C1)C(=O)O)C MCULE-3701263335 [0,0,0,0,2,0|1,0,1]=4 52 B10R1.359 CC1(CN[C@@H](C1)C(=O)O)C MCULE-5777695775 [0,0,0,0,2,0|1,0,1]=4 53 B10R1.359 CC1(CN[C@@H](C1)C(=O)O)C MCULE-7930268339 [0,0,0,0,2,0|1,0,1]=4 54 B10R1.359 CC1(CN[C@H](C1)C(=O)O)C MCULE-5601172836 [0,0,0,0,2,0|1,0,1]=4 55 B10R1.359 CC1(CN[C@H](C1)C(=O)O)C MCULE-5795533452 [0,0,0,0,2,0|1,0,1]=4 56 B10R1.359 CC1(CN[C@H](C1)C(=O)O)C MCULE-6871769907 [0,0,0,0,2,0|1,0,1]=4 57 B10R1.359 CC1(COC(C1)C(=O)O)C MCULE-3465757314 [0,0,0,0,2,0|1,0,1]=4 58 B10R1.359 CC1(NC(CS1)C(=O)O)C MCULE-3628976485 [0,0,0,0,2,0|2,0,0]=4 59 B10R1.359 CC1(NC(CS1)C(=O)O)C MCULE-9763318604 [0,0,0,0,2,0|2,0,0]=4 60 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-5428000366 [0,0,0,0,2,0|2,0,0]=4 61 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-6914291473 [0,0,0,0,2,0|2,0,0]=4 62 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-8499487712 [0,0,0,0,2,0|2,0,0]=4 63 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-9591174443 [0,0,0,0,2,0|2,0,0]=4 64 B10R1.359 CC1(N[C@H](CS1)C(=O)O)C MCULE-1864127233 [0,0,0,0,2,0|2,0,0]=4 65 B10R1.359 CC1(OCC(O1)C(=O)O)C MCULE-8459041221 [0,0,0,0,2,0|2,0,0]=4 66 B10R1.359 CC1(OC[C@@H](O1)C(=O)O)C MCULE-4620241254 [0,0,0,0,2,0|2,0,0]=4 67 B10R1.359 CC1(OC[C@@H](O1)C(=O)O)C MCULE-7602075849 [0,0,0,0,2,0|2,0,0]=4 68 B10R1.359 CC1(OC[C@H](O1)C(=O)O)C MCULE-6422447541 [0,0,0,0,2,0|2,0,0]=4 69 B10R1.359 CC1(OC[C@H](O1)C(=O)O)C MCULE-7066406161 [0,0,0,0,2,0|2,0,0]=4 70 B10R1.128 CC1(CCCC1C(=O)O)C MCULE-4580682391 [0,0,0,0,2,0|0,0,2]=4 71 B10R1.128 CC1(CNCC1C(=O)O)C MCULE-3386370307 [0,0,0,0,2,0|1,0,1]=4 72 B10R1.128 CC1(CNCC1C(=O)O)C MCULE-6121405177 [0,0,0,0,2,0|1,0,1]=4 73 B10R1.128 CC1(CNC[C@@H]1C(=O)O)C MCULE-2007377437 [0,0,0,0,2,0|1,0,1]=4 74 B10R1.128 CC1(CNC[C@@H]1C(=O)O)C MCULE-2184930829 [0,0,0,0,2,0|1,0,1]=4 75 B10R1.128 CC1(CNC[C@H]1C(=O)O)C MCULE-1263349937 [0,0,0,0,2,0|1,0,1]=4 76 B10R1.128 CC1(CNC[C@H]1C(=O)O)C MCULE-7547643584 [0,0,0,0,2,0|1,0,1]=4 77 B10R1.128 CC1(OCCC1C(=O)O)C MCULE-4433776174 [0,0,0,0,2,0|1,0,1]=4