0 B15R1.491 CC(=O)C1=CC(=CC(=C1)C(=O)C)C(=O)C MCULE-1749526729 [0,0,0,0,0,0|3,0,0]=3 1 B15R1.491 CC(=O)C1=CC(=CC(=C1)C(=O)O)N(=O)=O MCULE-9901504741 [0,0,0,0,0,0|2,0,1]=3 2 B15R1.491 CC(=O)C1=CC(=CC(=C1)N(=O)=O)C(=O)C MCULE-1794668615 [0,0,0,0,0,0|3,0,1]=4 3 B15R1.491 CN(C)C1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-6675932700 [0,0,0,0,0,0|3,0,0]=3 4 B15R1.491 NC(=O)C1=CC(=CC(=C1)C(=O)N)C(=O)N MCULE-5201269340 [0,0,0,0,0,0|3,0,0]=3 5 B15R1.491 NC(=O)C1=CC(=CC(=C1)C(=O)O)N(=O)=O MCULE-1364280884 [0,0,0,0,0,0|2,0,1]=3 6 B15R1.491 NC(=O)C1=CC(=CC(=C1)N(=O)=O)C(=O)N MCULE-7538865470 [0,0,0,0,0,0|3,0,1]=4 7 B15R1.491 NC(=S)C1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-1471487046 [0,0,0,0,0,0|1,1,0]=2 8 B15R1.491 O=C(Cl)C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl MCULE-7846892828 [0,0,0,0,0,0|3,0,0]=3 9 B15R1.491 O=C(Cl)C1=CC(=CC(=C1)N(=O)=O)C(=O)Cl MCULE-2858520863 [0,0,0,0,0,0|3,0,1]=4 10 B15R1.491 O=C(O)C1=CC(=CC(=C1)C(=O)O)B(O)O MCULE-9096196492 [0,0,0,0,0,0|1,0,1]=2 11 B15R1.491 O=C(O)C1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-9508211775 [0,0,0,0,0,0|0,0,0]=0 12 B15R1.491 O=C(O)C1=CC(=CC(=C1)N(=O)=O)B(O)O MCULE-2349466134 [0,0,0,0,0,0|2,0,2]=4 13 B15R1.491 O=C(O)C1=CC(=CC(=C1)N(=O)=O)C(=O)O MCULE-5992317784 [0,0,0,0,0,0|1,0,1]=2 14 B15R1.491 O=C(O)C1=CC(=CC(=C1)N(=O)=O)N(=O)=O MCULE-3763453759 [0,0,0,0,0,0|2,0,2]=4 15 B15R1.491 O=C(O)C1=CC(=CC(=N1)C(=O)O)N(=O)=O MCULE-2806417985 [0,0,0,0,0,0|2,0,1]=3 16 B15R1.491 O=C(O)C1=CC(=NC(=C1)C(=O)O)C(=O)O MCULE-1384675473 [0,0,0,0,0,0|1,0,0]=1 17 B14R1.345 C#CC1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-7627353924 [1,0,0,0,0,0|1,0,1]=3 18 B14R1.345 C=CC1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-8727681759 [1,0,0,0,0,0|1,0,0]=2 19 B14R1.345 CC(C)C1=CC(=CC(=C1)C=O)C(=O)O MCULE-3611091164 [1,0,0,0,0,0|2,0,1]=4 20 B14R1.345 COC1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-8846212787 [1,0,0,0,0,0|2,0,0]=3 21 B14R1.345 COC1=CC(=NC(=C1)C(=O)O)C(=O)O MCULE-1046543832 [1,0,0,0,0,0|3,0,0]=4 22 B14R1.345 N#CC1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-4013408087 [1,0,0,0,0,0|1,0,1]=3 23 B14R1.345 NNC1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-2360430998 [1,0,0,0,0,0|2,0,0]=3 24 B14R1.345 O=C(O)C1=CC(=CC(=C1)C(=O)O)CBr MCULE-2483282113 [1,0,0,0,0,0|1,0,1]=3 25 B16R1.1107 COC(=O)C1=CC(=CC(=C1)C(=O)Cl)N(=O)=O MCULE-4628304131 [0,1,0,0,0,0|2,0,1]=4 26 B16R1.1107 COC(=O)C1=CC(=CC(=C1)C(=O)N)N(=O)=O MCULE-9453107388 [0,1,0,0,0,0|2,0,1]=4 27 B16R1.1107 COC(=O)C1=CC(=CC(=C1)N(=O)=O)C(=O)O MCULE-1118632551 [0,1,0,0,0,0|1,0,1]=3 28 B16R1.12303 CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-4428096459 [0,1,0,0,0,0|2,0,1]=4 29 B16R1.12303 O=C(O)C1=CC(=CC(=C1)C(F)(F)F)C(=O)O MCULE-8233783995 [0,1,0,0,0,0|2,0,1]=4 30 B16R1.12303 O=C(O)C1=CC(=CC(=C1)P(=O)(O)O)C(=O)O MCULE-7163296499 [0,1,0,0,0,0|1,0,0]=2 31 B16R1.12303 O=C(O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)O MCULE-5831442069 [0,1,0,0,0,0|1,0,0]=2 32 B16R1.12303 O=C([O-])C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)O MCULE-2767244497 [0,1,0,0,0,0|1,0,1]=3 33 B16R1.45474 CC1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O MCULE-3195420349 [0,1,0,0,0,0|0,0,0]=1 34 B16R1.45474 NC1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O MCULE-9710544337 [0,1,0,0,0,0|0,0,0]=1 35 B16R1.45474 O=C(O)C1=CC(=C(C(=C1)C(=O)O)Br)C(=O)O MCULE-4153744792 [0,1,0,0,0,0|0,0,0]=1 36 B16R1.45474 O=C(O)C1=CC(=CC(=C1Cl)C(=O)O)N(=O)=O MCULE-4995271616 [0,1,0,0,0,0|1,0,1]=3 37 B16R1.45474 O=C(O)C1=CC(=CC(=C1O)C(=O)O)N(=O)=O MCULE-8074879662 [0,1,0,0,0,0|1,0,1]=3 38 B14R1.6375 O=C(O)C1=CC(=C(N1)C(=O)O)C(=O)O MCULE-7209782088 [0,0,0,0,1,0|1,0,0]=2 39 B14R1.6375 O=C(O)C1=CC(=C(S1)C(=O)O)N(=O)=O MCULE-4323360632 [0,0,0,0,1,0|2,0,1]=4 40 B14R1.6375 O=C(O)C1=NC(=C(S1)C(=O)O)C(=O)O MCULE-1967705153 [0,0,0,0,1,0|2,0,0]=3 41 B16R1.1278 CC(=O)NC1=CC(=CC(=C1)B(O)O)C(=O)O MCULE-9787723742 [0,0,0,0,0,1|2,0,1]=4 42 B16R1.1278 CC(=O)NC1=CC(=CC(=C1)C(=O)N)C(=O)N MCULE-4642857585 [0,0,0,0,0,1|3,0,0]=4 43 B16R1.1278 CC(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-6104300429 [0,0,0,0,0,1|1,0,0]=2 44 B16R1.1278 CC(=O)NC1=CC(=CC(=C1)C(=O)O)N(=O)=O MCULE-2366131850 [0,0,0,0,0,1|2,0,1]=4 45 B16R1.1278 NC(=S)NC1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-5555672324 [0,0,0,0,0,1|1,1,0]=3 46 B16R1.1278 O=C(O)C1=CC(=CC(=C1)C(=O)O)OC(F)F MCULE-3958965371 [0,0,0,0,0,1|2,0,1]=4 47 B13R1.126 CC1=CC(=CC(=C1)C(=O)N)C(=O)O MCULE-8749174563 [2,0,0,0,0,0|1,0,1]=4 48 B13R1.126 CC1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-1116314925 [2,0,0,0,0,0|0,0,1]=3 49 B13R1.126 CC1=CC(=CC(=N1)C(=O)O)C(=O)O MCULE-6190719937 [2,0,0,0,0,0|1,0,1]=4 50 B13R1.126 CC1=CC(=NC(=C1)C(=O)O)C(=O)O MCULE-7921713569 [2,0,0,0,0,0|1,0,1]=4 51 B13R1.126 NC(=O)C1=CC(=CC(=C1)C(=O)N)O MCULE-2237257432 [2,0,0,0,0,0|2,0,0]=4 52 B13R1.126 NC(=O)C1=CC(=CC(=C1)F)C(=O)O MCULE-9462367901 [2,0,0,0,0,0|2,0,0]=4 53 B13R1.126 NC(=O)C1=CC(=O)C=C(O1)C(=O)O MCULE-1154035698 [2,0,0,0,0,0|2,0,0]=4 54 B13R1.126 NC1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-5109916752 [2,0,0,0,0,0|1,0,0]=3 55 B13R1.126 NC1=CC(=NC(=C1)C(=O)O)C(=O)O MCULE-6107702210 [2,0,0,0,0,0|2,0,0]=4 56 B13R1.126 O=C(O)C1=CC(=CC(=C1)B(O)O)O MCULE-5975840605 [2,0,0,0,0,0|1,0,1]=4 57 B13R1.126 O=C(O)C1=CC(=CC(=C1)C(=O)O)Br MCULE-6400275418 [2,0,0,0,0,0|1,0,0]=3 58 B13R1.126 O=C(O)C1=CC(=CC(=C1)C(=O)O)Cl MCULE-4993009144 [2,0,0,0,0,0|1,0,0]=3 59 B13R1.126 O=C(O)C1=CC(=CC(=C1)C(=O)O)F MCULE-4396093356 [2,0,0,0,0,0|1,0,0]=3 60 B13R1.126 O=C(O)C1=CC(=CC(=C1)C(=O)O)I MCULE-2906548971 [2,0,0,0,0,0|1,0,0]=3 61 B13R1.126 O=C(O)C1=CC(=CC(=C1)C(=O)O)O MCULE-5412822699 [2,0,0,0,0,0|0,0,0]=2 62 B13R1.126 O=C(O)C1=CC(=CC(=C1)O)N(=O)=O MCULE-5861198770 [2,0,0,0,0,0|1,0,1]=4 63 B13R1.126 O=C(O)C1=CC(=CC(=N1)C(=O)O)Br MCULE-4668815634 [2,0,0,0,0,0|2,0,0]=4 64 B13R1.126 O=C(O)C1=CC(=CC(=N1)C(=O)O)Cl MCULE-4791598001 [2,0,0,0,0,0|2,0,0]=4 65 B13R1.126 O=C(O)C1=CC(=C[N+](=C1)[O-])C(=O)O MCULE-9549233949 [2,0,0,0,0,0|1,0,1]=4 66 B13R1.126 O=C1C=C(NC(=C1)C(=O)O)C(=O)O MCULE-2551574396 [2,0,0,0,0,0|1,0,0]=3 67 B13R1.126 O=C1C=C(OC(=C1)C(=O)O)C(=O)O MCULE-6864775396 [2,0,0,0,0,0|1,0,0]=3 68 B13R1.313 COC1=CC(=CC(=C1)C(=O)O)C=O MCULE-1698227804 [2,0,0,0,0,0|2,0,0]=4 69 B13R1.313 O=C(O)C1=CC(=CC(=C1)CO)CO MCULE-3892970762 [2,0,0,0,0,0|0,0,2]=4 70 B13R1.313 O=CC1=CC(=CC(=C1)B(O)O)C=O MCULE-8545519667 [2,0,0,0,0,0|1,0,1]=4 71 B13R1.313 O=CC1=CC(=CC(=C1)N(=O)=O)C=O MCULE-4066876292 [2,0,0,0,0,0|1,0,1]=4 72 B15R1.41 CNC1=CC(=CC(=C1)C(=O)O)C(=O)OC MCULE-2751499486 [1,1,0,0,0,0|2,0,0]=4 73 B15R1.41 COC(=O)C1=CC(=CC(=C1)C(=O)O)C#N MCULE-3918298864 [1,1,0,0,0,0|1,0,1]=4 74 B15R1.41 COC(=O)C1=CC(=CC(=C1)C(=O)O)OC MCULE-6062708893 [1,1,0,0,0,0|2,0,0]=4 75 B15R1.41 COC(=O)C1=CC(=CC(=C1)C=O)N(=O)=O MCULE-4757041063 [1,1,0,0,0,0|1,0,1]=4 76 B15R1.393 COC1=CC(=CC(=C1O)C(=O)O)C(=O)O MCULE-2486539577 [1,1,0,0,0,0|2,0,0]=4 77 B15R1.540 CCOC1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-4444507209 [1,1,0,0,0,0|1,0,1]=4 78 B15R1.540 O=CNC1=CC(=CC(=C1)C(=O)O)N(=O)=O MCULE-5498374575 [1,1,0,0,0,0|1,0,1]=4 79 B15R1.688 COC1=CC(=C(C(=C1)C(=O)O)C)C(=O)O MCULE-1175519653 [1,1,0,0,0,0|2,0,0]=4 80 B15R1.25779 CC(=O)C1=C(NC(=C1C)C(=O)O)C(=O)O MCULE-4187633803 [0,1,0,0,1,0|2,0,0]=4 81 B15R1.25779 CC1=C(NC(=C1C(=O)O)C(=O)O)C(=O)O MCULE-2411609342 [0,1,0,0,1,0|1,0,0]=3 82 B17R1.16246 O=C(O)C1=CC(=CC(=C1)C(=O)O)CP(=O)(O)O MCULE-8360955392 [0,1,0,0,0,1|1,0,0]=3 83 B17R1.376 NNS(=O)(=O)C1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-1392937487 [0,2,0,0,0,0|1,0,1]=4 84 B17R1.930 CCOC(=O)C1=CC(=CC(=C1)C(=O)O)N(=O)=O MCULE-4029790660 [0,2,0,0,0,0|1,0,1]=4 85 B17R1.1166 COC(=O)C1=CC(=CC(=C1)C(=O)OC)B(O)O MCULE-5255457505 [0,2,0,0,0,0|1,0,1]=4 86 B17R1.1166 COC(=O)C1=CC(=CC(=C1)C(=O)OC)C(=O)O MCULE-4618198853 [0,2,0,0,0,0|0,0,0]=2 87 B17R1.1166 COC(=O)C1=CC(=CC(=C1)N(=O)=O)C(=O)OC MCULE-5496830293 [0,2,0,0,0,0|1,0,1]=4 88 B17R1.59222 C=CC1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O MCULE-4269063213 [0,2,0,0,0,0|0,0,0]=2 89 B15R1.876 O=C(O)/C=C/C1=CC(=CC=C1F)C(=O)O MCULE-5966849851 [0,0,1,1,0,0|2,0,0]=4 90 B15R1.876 O=C(O)C=CC1=CC(=CC=C1F)C(=O)O MCULE-3080392762 [0,0,1,1,0,0|2,0,0]=4 91 B17R2.257802 O=C(O)C1=CC2=C(SC(=N2)O)C(=C1)C(=O)O MCULE-1138114627 [0,0,0,1,0,1|0,1,0]=3 92 B15R1.512 O=C(O)C1=CC(=C(C=C1)C(=O)O)C(=O)O MCULE-7395677755 [0,0,0,0,1,1|0,0,0]=2 93 B15R1.512 O=C(O)C1=CC=C(C(=C1)B(O)O)C(=O)O MCULE-5640472321 [0,0,0,0,1,1|1,0,1]=4 94 B15R1.512 O=C(O)C1=CC=C(C(=C1)C(=O)O)N(=O)=O MCULE-4919117032 [0,0,0,0,1,1|1,0,1]=4 95 B15R1.512 O=C(O)C1=CC=C(C(=C1)N(=O)=O)C(=O)O MCULE-3116288900 [0,0,0,0,1,1|1,0,1]=4 96 B15R1.512 O=C(O)C1=CC=C(C=C1C(=O)O)B(O)O MCULE-1032078591 [0,0,0,0,1,1|1,0,1]=4 97 B15R1.512 O=C(O)C1=CC=C(C=C1C(=O)O)N(=O)=O MCULE-2415247319 [0,0,0,0,1,1|1,0,1]=4 98 B17R1.26194 CC(=O)NC1=CC(=CC(=C1)C(=O)O)NC(=O)C MCULE-8688675087 [0,0,0,0,0,2|2,0,0]=4 99 B17R1.26194 CC(=O)OC1=CC(=CC(=C1)C(=O)O)OC(=O)C MCULE-1571887267 [0,0,0,0,0,2|2,0,0]=4