0 B14R1.540 NC(=O)OCC(CO)C1=CC=CC=C1 MCULE-5016914467 [0,0,0,0,0,0|0,0,4]=4 1 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 MCULE-6090896883 [1,0,0,0,0,0|1,0,2]=4 2 B13R1.45 CC(=O)OCC(C)C1=CC=CC=C1 MCULE-8015024752 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 MCULE-9273435680 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.45 CC(CSC(=N)N)C1=CC=CC=C1 MCULE-2996740185 [1,0,0,0,0,0|1,1,1]=4 5 B13R1.45 CC(CSC(=N)N)C1=CC=CC=C1 MCULE-5219321485 [1,0,0,0,0,0|1,1,1]=4 6 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 MCULE-2460790005 [1,0,0,0,0,0|0,0,3]=4 7 B13R1.45 NC(=O)OC[C@@H](O)C1=CC=CC=C1 MCULE-1084120299 [1,0,0,0,0,0|0,0,3]=4 8 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-4202777625 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-6369614057 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-8208262479 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-1186252540 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-3844920282 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9329598937 [1,0,0,0,0,0|3,0,0]=4 14 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9753214445 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-4184367501 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-5500987281 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-7624062364 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9023704248 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 MCULE-2271267445 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.45 O=C(O)CCC(O)C1=CC=CC=C1 MCULE-4325680851 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.45 [NH3+]C(CCC(=O)O)C1=CC=CC=C1 MCULE-1564217179 [1,0,0,0,0,0|3,0,0]=4 22 B15R1.12293 CC(=O)C(CCC(=O)N)C1=CC=CC=C1 MCULE-1479666811 [0,1,0,0,0,0|1,0,2]=4 23 B15R1.12293 CC(=O)C(CCC(=O)O)C1=CC=CC=C1 MCULE-5111875234 [0,1,0,0,0,0|2,0,0]=3 24 B15R1.12293 CC(=O)OCC(C(=O)O)C1=CC=CC=C1 MCULE-7325465917 [0,1,0,0,0,0|1,0,1]=3 25 B15R1.12293 NC(=O)N(CCC(=O)O)C1=CC=CC=C1 MCULE-1248875996 [0,1,0,0,0,0|3,0,0]=4 26 B15R1.12293 O=C(O)C(CC=C(Cl)Cl)C1=CC=CC=C1 MCULE-4873368289 [0,1,0,0,0,0|3,0,0]=4 27 B15R2.389 O=C1CCC(C(=O)O1)C2=CC=CC=C2 MCULE-5583169031 [0,0,0,1,0,0|2,0,0]=3 28 B15R2.389 O=C1NCC(C(=O)N1)C2=CC=CC=C2 MCULE-4249875322 [0,0,0,1,0,0|1,0,2]=4 29 B15R2.5167 C=CC1(COC(=O)O1)C2=CC=CC=C2 MCULE-2781345097 [0,0,0,1,0,0|2,0,0]=3 30 B13R1.713 C=CC(CC(=O)O)C1=CC=CC=C1 MCULE-2960833071 [0,0,0,0,1,0|2,0,0]=3 31 B13R1.713 C=CC(OC(=O)C)C1=CC=CC=C1 MCULE-5504485886 [0,0,0,0,1,0|2,0,1]=4 32 B13R1.713 CC(C)CC(C=O)C1=CC=CC=C1 MCULE-1509810170 [0,0,0,0,1,0|2,0,1]=4 33 B13R1.713 CC(C)OC(C=O)C1=CC=CC=C1 MCULE-3760585313 [0,0,0,0,1,0|2,0,1]=4 34 B13R1.713 CCC(CC(=O)O)C1=CC=CC=C1 MCULE-9613424558 [0,0,0,0,1,0|2,0,1]=4 35 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 MCULE-4458219577 [0,0,0,0,1,0|3,0,0]=4 36 B13R1.713 N#CC(CC(=O)O)C1=CC=CC=C1 MCULE-5709932409 [0,0,0,0,1,0|2,0,1]=4 37 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 MCULE-5816217249 [0,0,0,0,1,0|2,0,1]=4 38 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 MCULE-9862731096 [0,0,0,0,1,0|2,0,1]=4 39 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-1505990193 [0,0,0,0,1,0|2,0,1]=4 40 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-6190546623 [0,0,0,0,1,0|2,0,1]=4 41 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-8069604431 [0,0,0,0,1,0|2,0,1]=4 42 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-9461364099 [0,0,0,0,1,0|2,0,1]=4 43 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-3726907829 [0,0,0,0,1,0|2,0,1]=4 44 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-4517880361 [0,0,0,0,1,0|2,0,1]=4 45 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-7915129742 [0,0,0,0,1,0|2,0,1]=4 46 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-9847907661 [0,0,0,0,1,0|2,0,1]=4 47 B13R1.713 O=C(O)CC(NO)C1=CC=CC=C1 MCULE-5708650927 [0,0,0,0,1,0|2,0,1]=4 48 B13R1.713 O=CN(CC(=O)O)C1=CC=CC=C1 MCULE-1669781512 [0,0,0,0,1,0|2,0,0]=3 49 B13R1.713 O=NN(CC(=O)O)C1=CC=CC=C1 MCULE-1919590167 [0,0,0,0,1,0|3,0,0]=4 50 B12R1.3 CCCC(C=O)C1=CC=CC=C1 MCULE-6791633860 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MCULE-2877884154 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.252 N=C(N)CCCC1=CC=CC=C1 MCULE-1691158103 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.252 N=C(N)CCCC1=CC=CC=C1 MCULE-8425972210 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.252 N=C(N)NCCC1=CC=CC=C1 MCULE-5787654277 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.252 N=C(N)NCCC1=CC=CC=C1 MCULE-6600118628 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.252 N=C(N)NCCC1=CC=CC=C1 MCULE-7862388098 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.252 N=C(N)NCCC1=CC=CC=C1 MCULE-8733349393 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.252 N=C(N)SCCC1=CC=CC=C1 MCULE-4854423587 [2,0,0,0,0,0|1,1,0]=4 59 B12R1.252 N=C(N)SCCC1=CC=CC=C1 MCULE-7222961686 [2,0,0,0,0,0|1,1,0]=4 60 B12R1.252 N=C(N)SCCC1=CC=CC=C1 MCULE-9094071409 [2,0,0,0,0,0|1,1,0]=4 61 B12R1.252 O=C(Cl)OCCC1=CC=CC=C1 MCULE-3585566884 [2,0,0,0,0,0|1,0,1]=4 62 B12R1.252 O=C(O)CCCC1=CC=CC=C1 MCULE-6322732346 [2,0,0,0,0,0|2,0,0]=4 63 B14R1.178 C=CCCC(C(=O)O)C1=CC=CC=C1 MCULE-9775526908 [1,1,0,0,0,0|2,0,0]=4 64 B14R1.178 O=C(O)C(CCCO)C1=CC=CC=C1 MCULE-5495965335 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.178 O=C([O-])C(CCCO)C1=CC=CC=C1 MCULE-2948687804 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.178 O=CNCC(C(=O)O)C1=CC=CC=C1 MCULE-8774179321 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.515 O=CNC(CC(=O)O)C1=CC=CC=C1 MCULE-8337040623 [0,1,0,0,1,0|1,0,0]=3 68 B14R1.1027 CC(C(=O)O)N(C=O)C1=CC=CC=C1 MCULE-2218882878 [0,1,0,0,1,0|2,0,0]=4 69 B14R1.6455 CC(=O)C(CC(=O)O)C1=CC=CC=C1 MCULE-9835275071 [0,1,0,0,1,0|1,0,0]=3 70 B14R1.6455 CC(=O)N(CC(=O)O)C1=CC=CC=C1 MCULE-8713782934 [0,1,0,0,1,0|2,0,0]=4 71 B14R1.6455 CC(=O)OC(C(=O)Cl)C1=CC=CC=C1 MCULE-4434309841 [0,1,0,0,1,0|1,0,1]=4 72 B14R1.6455 CC(=O)OC(C(=O)N)C1=CC=CC=C1 MCULE-6024939769 [0,1,0,0,1,0|1,0,1]=4 73 B14R1.6455 CC(=O)OC(C(=O)O)C1=CC=CC=C1 MCULE-2534932831 [0,1,0,0,1,0|1,0,1]=4 74 B14R1.6455 CC(=O)OC(C(=O)O)C1=CC=CC=C1 MCULE-3580280908 [0,1,0,0,1,0|1,0,1]=4 75 B14R1.6455 CC(=O)O[C@@H](C(=O)Cl)C1=CC=CC=C1 MCULE-1438394922 [0,1,0,0,1,0|1,0,1]=4 76 B14R1.6455 CC(=O)O[C@@H](C(=O)Cl)C1=CC=CC=C1 MCULE-7346937952 [0,1,0,0,1,0|1,0,1]=4 77 B14R1.6455 CC(=O)O[C@@H](C(=O)O)C1=CC=CC=C1 MCULE-3225936034 [0,1,0,0,1,0|1,0,1]=4 78 B14R1.6455 CC(=O)O[C@@H](C(=O)O)C1=CC=CC=C1 MCULE-5208671589 [0,1,0,0,1,0|1,0,1]=4 79 B14R1.6455 CC(=O)O[C@H](C(=O)O)C1=CC=CC=C1 MCULE-5858416811 [0,1,0,0,1,0|1,0,1]=4 80 B14R1.6455 CC(=O)O[C@H](C(=O)O)C1=CC=CC=C1 MCULE-6128602432 [0,1,0,0,1,0|1,0,1]=4 81 B14R1.6455 O=C(O)CC(C(=O)O)C1=CC=CC=C1 MCULE-9121324032 [0,1,0,0,1,0|1,0,0]=3 82 B14R1.6455 O=C(O)CC(C(=O)[O-])[N+]1=CC=CC=C1 MCULE-3095366368 [0,1,0,0,1,0|2,0,0]=4 83 B14R1.6455 O=C(O)C[C@@H](C(=O)O)C1=CC=CC=C1 MCULE-8137361059 [0,1,0,0,1,0|1,0,0]=3 84 B14R1.6455 O=C(O)C[C@@H](C(=O)O)C1=CC=CC=C1 MCULE-9697932970 [0,1,0,0,1,0|1,0,0]=3 85 B14R1.6455 O=C(O)C[C@H](C(=O)O)C1=CC=CC=C1 MCULE-2990646480 [0,1,0,0,1,0|1,0,0]=3 86 B14R1.6455 O=C(O)C[C@H](C(=O)O)C1=CC=CC=C1 MCULE-5484738674 [0,1,0,0,1,0|1,0,0]=3 87 B16R1.12306 CC(=O)OCC(CC1=CC=CC=C1)C(=O)O MCULE-3471908543 [0,1,0,0,0,1|1,0,1]=4 88 B16R1.12528 O=C(O)CCCC(C(=O)O)C1=CC=CC=C1 MCULE-6253083189 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.24 O=C1CCOCC1C2=CC=CC=C2 MCULE-7943986328 [1,0,0,1,0,0|1,0,1]=4 90 B14R2.2974 O=CC1(CCOC1)C2=CC=CC=C2 MCULE-8289265614 [1,0,0,1,0,0|1,0,1]=4 91 B14R2.4514 O=C1OCN(C1=O)C2=CC=CC=C2 MCULE-2271822269 [1,0,0,1,0,0|1,0,1]=4 92 B14R2.598 NC1=NC(=O)C(O1)C2=CC=CC=C2 MCULE-1449680157 [0,0,0,1,1,0|1,0,0]=3 93 B14R2.598 NC1=NC(=O)C(S1)C2=CC=CC=C2 MCULE-5535316659 [0,0,0,1,1,0|1,1,0]=4 94 B14R2.598 O=C1CC(C(=O)N1)C2=CC=CC=C2 MCULE-2407232261 [0,0,0,1,1,0|0,0,2]=4 95 B14R2.598 O=C1CC(C(=O)O1)C2=CC=CC=C2 MCULE-4137983641 [0,0,0,1,1,0|1,0,0]=3 96 B14R2.598 O=C1CC(C(=O)O1)[N+]2=CC=CC=C2 MCULE-6652690927 [0,0,0,1,1,0|2,0,0]=4 97 B14R2.598 O=C1CC(C(=O)O1)[N+]2=CC=CC=C2 MCULE-7455957561 [0,0,0,1,1,0|2,0,0]=4 98 B14R2.598 O=C1C[C@H](C(=O)O1)C2=CC=CC=C2 MCULE-1880064709 [0,0,0,1,1,0|1,0,0]=3 99 B14R2.598 O=C1C[C@H](C(=O)O1)C2=CC=CC=C2 MCULE-5423690820 [0,0,0,1,1,0|1,0,0]=3 100 B14R2.598 O=C1NC(=O)C(O1)C2=CC=CC=C2 MCULE-1448816070 [0,0,0,1,1,0|0,0,2]=4 101 B14R2.598 O=C1NC(C(=O)O1)C2=CC=CC=C2 MCULE-4218639358 [0,0,0,1,1,0|2,0,0]=4 102 B14R2.598 O=C1NC(C(=O)O1)C2=CC=CC=C2 MCULE-9238966069 [0,0,0,1,1,0|2,0,0]=4 103 B14R2.598 O=C1N[C@@H](C(=O)O1)C2=CC=CC=C2 MCULE-7559194597 [0,0,0,1,1,0|2,0,0]=4 104 B14R2.598 O=C1N[C@H](C(=O)O1)C2=CC=CC=C2 MCULE-5703530093 [0,0,0,1,1,0|2,0,0]=4 105 B16R2.2880 O=C(O)C1CC(C(=O)N1)C2=CC=CC=C2 MCULE-8111429609 [0,1,0,1,0,0|2,0,0]=4 106 B16R2.2888 O=C(O)C1CC(OC1=O)C2=CC=CC=C2 MCULE-1450868351 [0,1,0,1,0,0|2,0,0]=4 107 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 MCULE-5570047144 [0,1,0,1,0,0|2,0,0]=4 108 B16R3.19959 O=C1OC(=O)C2(C1C2)C3=CC=CC=C3 MCULE-7851925963 [0,0,0,2,0,0|2,0,0]=4 109 B16R3.19959 O=C1OC(=O)[C@]2(C1C2)C3=CC=CC=C3 MCULE-6606795220 [0,0,0,2,0,0|2,0,0]=4 110 B16R3.20704 O=C(O)[C@H]1C[C@]12C(=O)C3=CC=CC=C23 MCULE-4803627503 [0,0,0,2,0,0|2,0,0]=4 111 B12R1.107 CC(=N)CC(=O)C1=CC=CC=C1 MCULE-8441112827 [1,0,0,0,1,0|1,0,1]=4 112 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 MCULE-1818982541 [1,0,0,0,1,0|1,0,1]=4 113 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 MCULE-9130531300 [1,0,0,0,1,0|1,0,1]=4 114 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-6537602947 [1,0,0,0,1,0|1,0,1]=4 115 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-1783067351 [1,0,0,0,1,0|1,0,1]=4 116 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MCULE-2945759933 [1,0,0,0,1,0|2,0,0]=4 117 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MCULE-3660219565 [1,0,0,0,1,0|2,0,0]=4 118 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MCULE-5669000935 [1,0,0,0,1,0|2,0,0]=4 119 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MCULE-6127429811 [1,0,0,0,1,0|2,0,0]=4 120 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-2881987414 [1,0,0,0,1,0|2,0,0]=4 121 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-4499633586 [1,0,0,0,1,0|2,0,0]=4 122 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-8154475618 [1,0,0,0,1,0|2,0,0]=4 123 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-9668897685 [1,0,0,0,1,0|2,0,0]=4 124 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-1696975646 [1,0,0,0,1,0|2,0,0]=4 125 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-4246457220 [1,0,0,0,1,0|2,0,0]=4 126 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-6312772741 [1,0,0,0,1,0|2,0,0]=4 127 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-9809220026 [1,0,0,0,1,0|2,0,0]=4 128 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 MCULE-6221631058 [1,0,0,0,1,0|1,0,1]=4 129 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 MCULE-7295763261 [1,0,0,0,1,0|2,0,0]=4 130 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 MCULE-3174091335 [1,0,0,0,1,0|1,0,1]=4 131 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 MCULE-8184353492 [1,0,0,0,1,0|1,0,1]=4 132 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 MCULE-5469995618 [1,0,0,0,1,0|1,0,1]=4 133 B12R1.107 [C@@H](C)(CC(=O)O)C1=CC=CC=C1 MCULE-2554692536 [1,0,0,0,1,0|1,0,1]=4 134 B12R1.478 C=CC(C(=O)O)C1=CC=CC=C1 MCULE-1369823645 [0,0,0,0,2,0|2,0,0]=4 135 B14R1.420 CC(COCC(=O)O)C1=CC=CC=C1 MCULE-5048283025 [1,0,0,0,0,1|1,0,1]=4