0 B13R1.45 C/C(=N\NC(=O)N)/C1=CC=CC=C1 MCULE-5417074554 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.45 C=C(C)CCC(C)C1=CC=CC=C1 MCULE-8176197914 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.45 CC(=NNC(=O)N)C1=CC=CC=C1 MCULE-2698194685 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 MCULE-7185754790 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 MCULE-2283757668 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.45 CC(=O)O/N=C(/C)\C1=CC=CC=C1 MCULE-5505656284 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 MCULE-6090896883 [0,0,0,0,0,0|1,0,2]=3 7 B13R1.45 CC(=O)OCC(=O)C1=NC=CC=C1 MCULE-6065907381 [0,0,0,0,0,0|2,0,2]=4 8 B13R1.45 CC(=O)OCC(C)C1=CC=CC=C1 MCULE-8015024752 [0,0,0,0,0,0|2,0,0]=2 9 B13R1.45 CC(=O)ON=C(C)C1=CC=CC=C1 MCULE-7637252637 [0,0,0,0,0,0|3,0,1]=4 10 B13R1.45 CC(=O)SCC(=O)C1=CC=CC=C1 MCULE-6655287902 [0,0,0,0,0,0|1,1,2]=4 11 B13R1.45 CC(C)NCC(O)C1=CC=CC=C1 MCULE-9768223346 [0,0,0,0,0,0|3,0,1]=4 12 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 MCULE-9273435680 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.45 CC(CSC(=N)N)C1=CC=CC=C1 MCULE-2996740185 [0,0,0,0,0,0|2,1,0]=3 14 B13R1.45 CC(CSC(=N)N)C1=CC=CC=C1 MCULE-5219321485 [0,0,0,0,0,0|2,1,0]=3 15 B13R1.45 CC(NCC(=O)O)C1=CC=CC=C1 MCULE-3454389940 [0,0,0,0,0,0|4,0,0]=4 16 B13R1.45 CC(NCC(=O)O)C1=CC=CC=C1 MCULE-9418621810 [0,0,0,0,0,0|4,0,0]=4 17 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 MCULE-2318002743 [0,0,0,0,0,0|4,0,0]=4 18 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 MCULE-7787611298 [0,0,0,0,0,0|4,0,0]=4 19 B13R1.45 CN(C)CC[C@@H](O)C1=CC=CC=C1 MCULE-4528954489 [0,0,0,0,0,0|4,0,0]=4 20 B13R1.45 CN(C)CC[C@@H](O)C1=CC=CC=C1 MCULE-5623245528 [0,0,0,0,0,0|4,0,0]=4 21 B13R1.45 CN(C)CC[C@@H](O)C1=CC=CC=C1 MCULE-6847524445 [0,0,0,0,0,0|4,0,0]=4 22 B13R1.45 CN(C)CC[C@@H](O)C1=CC=CC=C1 MCULE-8110200441 [0,0,0,0,0,0|4,0,0]=4 23 B13R1.45 CN(C)CC[C@H](O)C1=CC=CC=C1 MCULE-9513828216 [0,0,0,0,0,0|4,0,0]=4 24 B13R1.45 CN(C)CC[C@H](O)C1=CC=CC=C1 MCULE-9590476960 [0,0,0,0,0,0|4,0,0]=4 25 B13R1.45 CN(CCC(=N)N)C1=CC=CC=C1 MCULE-5742295295 [0,0,0,0,0,0|4,0,0]=4 26 B13R1.45 CN(CCC(=N)N)C1=CC=CC=C1 MCULE-6221126583 [0,0,0,0,0,0|4,0,0]=4 27 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 MCULE-6181229610 [0,0,0,0,0,0|4,0,0]=4 28 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 MCULE-7016084931 [0,0,0,0,0,0|4,0,0]=4 29 B13R1.45 C[C@@H](NCC(=O)N)C1=CC=CC=C1 MCULE-5025301335 [0,0,0,0,0,0|3,0,0]=3 30 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 MCULE-6707846891 [0,0,0,0,0,0|4,0,0]=4 31 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 MCULE-7678257919 [0,0,0,0,0,0|4,0,0]=4 32 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 MCULE-8801851891 [0,0,0,0,0,0|4,0,0]=4 33 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 MCULE-2914925663 [0,0,0,0,0,0|4,0,0]=4 34 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 MCULE-7694471053 [0,0,0,0,0,0|4,0,0]=4 35 B13R1.45 C[C@H](OCC(=O)O)C1=CC=CC=C1 MCULE-7615720029 [0,0,0,0,0,0|4,0,0]=4 36 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 MCULE-1126824260 [0,0,0,0,0,0|2,0,2]=4 37 B13R1.45 NC(=O)NOC(=O)C1=CC=CC=C1 MCULE-7447133558 [0,0,0,0,0,0|2,0,2]=4 38 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 MCULE-2460790005 [0,0,0,0,0,0|0,0,0]=0 39 B13R1.45 NC(=O)OC[C@@H](O)C1=CC=CC=C1 MCULE-1084120299 [0,0,0,0,0,0|0,0,0]=0 40 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-4202777625 [0,0,0,0,0,0|3,0,0]=3 41 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-6369614057 [0,0,0,0,0,0|3,0,0]=3 42 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-8208262479 [0,0,0,0,0,0|3,0,0]=3 43 B13R1.45 NC(CCC(=O)O)C1=CC=CC=N1 MCULE-4068806991 [0,0,0,0,0,0|4,0,0]=4 44 B13R1.45 NC(CCC(=O)O)C1=CC=NC=C1 MCULE-8327325869 [0,0,0,0,0,0|4,0,0]=4 45 B13R1.45 NC(CCC(=O)O)C1=NC=CC=C1 MCULE-2256440112 [0,0,0,0,0,0|4,0,0]=4 46 B13R1.45 NN(CCC(=O)O)C1=CC=CC=C1 MCULE-6515024702 [0,0,0,0,0,0|4,0,0]=4 47 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-1186252540 [0,0,0,0,0,0|3,0,0]=3 48 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-3844920282 [0,0,0,0,0,0|3,0,0]=3 49 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9329598937 [0,0,0,0,0,0|3,0,0]=3 50 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9753214445 [0,0,0,0,0,0|3,0,0]=3 51 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=NC=C1 MCULE-4246152867 [0,0,0,0,0,0|4,0,0]=4 52 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-4184367501 [0,0,0,0,0,0|3,0,0]=3 53 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-5500987281 [0,0,0,0,0,0|3,0,0]=3 54 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-7624062364 [0,0,0,0,0,0|3,0,0]=3 55 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9023704248 [0,0,0,0,0,0|3,0,0]=3 56 B13R1.45 N[C@H](CCC(=O)O)C1=CC=NC=C1 MCULE-3485856671 [0,0,0,0,0,0|4,0,0]=4 57 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 MCULE-2271267445 [0,0,0,0,0,0|2,0,2]=4 58 B13R1.45 O=C(O)CCC(O)C1=CC=CC=C1 MCULE-4325680851 [0,0,0,0,0,0|2,0,0]=2 59 B13R1.45 [NH3+]C(CCC(=O)O)C1=CC=CC=C1 MCULE-1564217179 [0,0,0,0,0,0|3,0,0]=3 60 B12R1.30 C#CCCC(O)C1=CC=CC=C1 MCULE-1591777155 [1,0,0,0,0,0|2,0,1]=4 61 B12R1.30 C=CCCC(C)C1=CC=CC=C1 MCULE-5529093931 [1,0,0,0,0,0|3,0,0]=4 62 B12R1.30 C=CCCC(N)C1=CC=CC=C1 MCULE-8756187904 [1,0,0,0,0,0|3,0,0]=4 63 B12R1.30 C=CCC[C@@H](N)C1=CC=CC=C1 MCULE-3292091959 [1,0,0,0,0,0|3,0,0]=4 64 B12R1.30 C=CCC[C@@H](N)C1=CC=CC=C1 MCULE-3822494445 [1,0,0,0,0,0|3,0,0]=4 65 B12R1.30 C=CCC[C@H](N)C1=CC=CC=C1 MCULE-4436209673 [1,0,0,0,0,0|3,0,0]=4 66 B12R1.30 C=CCC[C@H](N)C1=CC=CC=C1 MCULE-8641762896 [1,0,0,0,0,0|3,0,0]=4 67 B12R1.30 CCCCC(O)C1=CC=CC=C1 MCULE-2566719464 [1,0,0,0,0,0|2,0,1]=4 68 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 MCULE-4574834253 [1,0,0,0,0,0|2,0,1]=4 69 B12R1.30 CCOCC(N)C1=CC=CC=C1 MCULE-8890079689 [1,0,0,0,0,0|2,0,1]=4 70 B12R1.30 CNCCC(O)C1=CC=CC=C1 MCULE-8194152449 [1,0,0,0,0,0|3,0,0]=4 71 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 MCULE-5426732231 [1,0,0,0,0,0|3,0,0]=4 72 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 MCULE-5737978721 [1,0,0,0,0,0|3,0,0]=4 73 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 MCULE-8288192759 [1,0,0,0,0,0|3,0,0]=4 74 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 MCULE-8335922760 [1,0,0,0,0,0|3,0,0]=4 75 B12R1.30 COCCC(O)C1=CC=CC=C1 MCULE-5481384594 [1,0,0,0,0,0|3,0,0]=4 76 B12R1.30 N#N=NCC(O)C1=CC=CC=C1 MCULE-4066625316 [1,0,0,0,0,0|2,0,1]=4 77 B12R1.30 NCCC[C@@H](N)C1=CC=CC=C1 MCULE-4796912358 [1,0,0,0,0,0|2,0,1]=4 78 B12R1.30 NCCC[C@@H](N)C1=CC=CC=C1 MCULE-6083765128 [1,0,0,0,0,0|2,0,1]=4 79 B12R1.30 NCCC[C@H](N)C1=CC=CC=C1 MCULE-2712407348 [1,0,0,0,0,0|2,0,1]=4 80 B12R1.30 NCCC[C@H](N)C1=CC=CC=C1 MCULE-7977410416 [1,0,0,0,0,0|2,0,1]=4 81 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 MCULE-9714420241 [1,0,0,0,0,0|1,0,2]=4 82 B12R1.30 OCCCC(O)C1=CC=CC=C1 MCULE-6644785905 [1,0,0,0,0,0|1,0,2]=4 83 B12R1.252 C=C(Br)CCCC1=CC=CC=C1 MCULE-9256726211 [1,0,0,0,0,0|3,0,0]=4 84 B12R1.252 C=C(C)CCCC1=CC=CC=C1 MCULE-1334491812 [1,0,0,0,0,0|3,0,0]=4 85 B12R1.252 C=C(Cl)CCCC1=CC=CC=C1 MCULE-7115429182 [1,0,0,0,0,0|3,0,0]=4 86 B12R1.252 CC(=O)CCCC1=CC=CC=C1 MCULE-2310771684 [1,0,0,0,0,0|2,0,0]=3 87 B12R1.252 CC(=O)CCCC1=CC=CC=N1 MCULE-1269205900 [1,0,0,0,0,0|3,0,0]=4 88 B12R1.252 CC(=O)CCCC1=CC=CC=N1 MCULE-8865358008 [1,0,0,0,0,0|3,0,0]=4 89 B12R1.252 CC(=O)CCCC1=CN=CC=C1 MCULE-4927787423 [1,0,0,0,0,0|3,0,0]=4 90 B12R1.252 CC(=O)CCSC1=CC=CC=C1 MCULE-5300990067 [1,0,0,0,0,0|3,0,0]=4 91 B12R1.252 CC(=O)COCC1=CC=CC=C1 MCULE-4274476993 [1,0,0,0,0,0|3,0,0]=4 92 B12R1.252 CC(=O)CSCC1=CC=CC=C1 MCULE-4925526123 [1,0,0,0,0,0|3,0,0]=4 93 B12R1.252 CC(=O)NCCC1=CC=CC=C1 MCULE-5686427771 [1,0,0,0,0,0|2,0,0]=3 94 B12R1.252 CC(=O)NCCC1=CC=NC=C1 MCULE-9746342115 [1,0,0,0,0,0|3,0,0]=4 95 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MCULE-2877884154 [1,0,0,0,0,0|1,0,0]=2 96 B12R1.252 CC(=O)SCCC1=CC=NC=C1 MCULE-4317238290 [1,0,0,0,0,0|2,1,0]=4 97 B12R1.252 CC(N)CCCC1=CC=CC=C1 MCULE-4777597407 [1,0,0,0,0,0|2,0,1]=4 98 B12R1.252 N=C(N)CCCC1=CC=CC=C1 MCULE-1691158103 [1,0,0,0,0,0|2,0,0]=3 99 B12R1.252 N=C(N)CCCC1=CC=CC=C1 MCULE-8425972210 [1,0,0,0,0,0|2,0,0]=3 100 B12R1.252 N=C(N)CCOC1=CC=CC=C1 MCULE-7113358614 [1,0,0,0,0,0|3,0,0]=4 101 B12R1.252 N=C(N)CCOC1=CC=CC=C1 MCULE-9435429546 [1,0,0,0,0,0|3,0,0]=4 102 B12R1.252 N=C(N)NCCC1=CC=CC=C1 MCULE-5787654277 [1,0,0,0,0,0|2,0,0]=3 103 B12R1.252 N=C(N)NCCC1=CC=CC=C1 MCULE-6600118628 [1,0,0,0,0,0|2,0,0]=3 104 B12R1.252 N=C(N)NCCC1=CC=CC=C1 MCULE-7862388098 [1,0,0,0,0,0|2,0,0]=3 105 B12R1.252 N=C(N)NCCC1=CC=CC=C1 MCULE-8733349393 [1,0,0,0,0,0|2,0,0]=3 106 B12R1.252 N=C(N)NCCC1=NC=CC=C1 MCULE-7681755117 [1,0,0,0,0,0|3,0,0]=4 107 B12R1.252 N=C(N)SCCC1=CC=CC=C1 MCULE-4854423587 [1,0,0,0,0,0|1,1,0]=3 108 B12R1.252 N=C(N)SCCC1=CC=CC=C1 MCULE-7222961686 [1,0,0,0,0,0|1,1,0]=3 109 B12R1.252 N=C(N)SCCC1=CC=CC=C1 MCULE-9094071409 [1,0,0,0,0,0|1,1,0]=3 110 B12R1.252 N=C(N)SCCC1=CC=NC=C1 MCULE-7660001441 [1,0,0,0,0,0|2,1,0]=4 111 B12R1.252 NC(=O)CCCC1=CC=CC=C1 MCULE-1491500210 [1,0,0,0,0,0|1,0,0]=2 112 B12R1.252 NC(=O)CCNC1=CC=CC=C1 MCULE-4122162754 [1,0,0,0,0,0|2,0,0]=3 113 B12R1.252 NC(=O)CCOC1=CC=CC=C1 MCULE-9532260813 [1,0,0,0,0,0|2,0,0]=3 114 B12R1.252 NC(=O)CNCC1=CC=CC=C1 MCULE-6930976713 [1,0,0,0,0,0|2,0,0]=3 115 B12R1.252 NC(=O)COCC1=CC=CC=C1 MCULE-2043276412 [1,0,0,0,0,0|2,0,0]=3 116 B12R1.252 NC(=O)CSCC1=CC=CC=C1 MCULE-6240151575 [1,0,0,0,0,0|2,0,0]=3 117 B12R1.252 NC(=O)N/N=C/C1=CC=CC=C1 MCULE-5380651128 [1,0,0,0,0,0|2,0,1]=4 118 B12R1.252 NC(=O)NCCC1=CC=CC=C1 MCULE-2812694735 [1,0,0,0,0,0|1,0,0]=2 119 B12R1.252 NC(=O)NCCC1=NC=CC=C1 MCULE-1115159286 [1,0,0,0,0,0|2,0,0]=3 120 B12R1.252 NC(=O)NN=CC1=CC=CC=C1 MCULE-9554768962 [1,0,0,0,0,0|2,0,1]=4 121 B12R1.252 NC(=O)NOCC1=CC=CC=C1 MCULE-4552434209 [1,0,0,0,0,0|2,0,0]=3 122 B12R1.252 NC(=S)CCCC1=CC=CC=C1 MCULE-1468346906 [1,0,0,0,0,0|1,1,0]=3 123 B12R1.252 NC(=S)COCC1=CC=CC=C1 MCULE-6057888442 [1,0,0,0,0,0|2,1,0]=4 124 B12R1.252 NC(=S)NCCC1=CC=CC=C1 MCULE-2932414196 [1,0,0,0,0,0|1,1,0]=3 125 B12R1.252 NC(=S)NCCC1=NC=CC=C1 MCULE-5041291742 [1,0,0,0,0,0|2,1,0]=4 126 B12R1.252 NC(=S)NNCC1=CC=CC=C1 MCULE-7435012969 [1,0,0,0,0,0|2,1,0]=4 127 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 MCULE-6473558795 [1,0,0,0,0,0|2,0,0]=3 128 B12R1.252 O=C(Cl)CCOC1=CC=CC=C1 MCULE-5733419248 [1,0,0,0,0,0|3,0,0]=4 129 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 MCULE-5801667907 [1,0,0,0,0,0|3,0,0]=4 130 B12R1.252 O=C(Cl)OCCC1=CC=CC=C1 MCULE-3585566884 [1,0,0,0,0,0|1,0,0]=2 131 B12R1.252 O=C(O)C=CCC1=CC=CC=C1 MCULE-5534408884 [1,0,0,0,0,0|2,0,1]=4 132 B12R1.252 O=C(O)CCCC1=CC=CC=C1 MCULE-6322732346 [1,0,0,0,0,0|2,0,0]=3 133 B12R1.252 O=C(O)CCCC1=CC=CC=N1 MCULE-8215039373 [1,0,0,0,0,0|3,0,0]=4 134 B12R1.252 O=C(O)CCCC1=CC=CN=C1 MCULE-6410810610 [1,0,0,0,0,0|3,0,0]=4 135 B12R1.252 O=C(O)CCCC1=CC=NC=C1 MCULE-4546370034 [1,0,0,0,0,0|3,0,0]=4 136 B12R1.252 O=C(O)CCCC1=CC=NC=C1 MCULE-8739058216 [1,0,0,0,0,0|3,0,0]=4 137 B12R1.252 O=C(O)CCCC1=CN=CC=C1 MCULE-7663521567 [1,0,0,0,0,0|3,0,0]=4 138 B12R1.252 O=C(O)CCCC1=NC=CC=C1 MCULE-7143898162 [1,0,0,0,0,0|3,0,0]=4 139 B12R1.252 O=C(O)CCNC1=CC=CC=C1 MCULE-3569266068 [1,0,0,0,0,0|3,0,0]=4 140 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MCULE-4275468983 [1,0,0,0,0,0|3,0,0]=4 141 B12R1.252 O=C(O)CCSC1=CC=CC=C1 MCULE-5630558008 [1,0,0,0,0,0|3,0,0]=4 142 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 MCULE-5107484134 [1,0,0,0,0,0|3,0,0]=4 143 B12R1.252 O=C(O)CNCC1=CC=CC=C1 MCULE-6444716880 [1,0,0,0,0,0|3,0,0]=4 144 B12R1.252 O=C(O)CNCC1=CC=CC=C1 MCULE-9697304880 [1,0,0,0,0,0|3,0,0]=4 145 B12R1.252 O=C(O)COCC1=CC=CC=C1 MCULE-7716016814 [1,0,0,0,0,0|3,0,0]=4 146 B12R1.252 O=C(O)CSCC1=CC=CC=C1 MCULE-4184308941 [1,0,0,0,0,0|3,0,0]=4 147 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 MCULE-5819625540 [1,0,0,0,0,0|2,0,0]=3 148 B12R1.252 O=N(=O)CCCC1=CC=CC=C1 MCULE-2770204782 [1,0,0,0,0,0|3,0,0]=4 149 B14R1.149 CC(=O)OCC(=O)C1=CC(=CC=C1)C MCULE-4938303974 [0,1,0,0,0,0|1,0,2]=4 150 B14R1.149 CC(=O)OCC(=O)C1=CC=CC(=C1)Cl MCULE-6440425629 [0,1,0,0,0,0|1,0,2]=4 151 B14R1.149 CC(=O)OCC(=O)C1=CC=CC(=C1)F MCULE-8276159650 [0,1,0,0,0,0|1,0,2]=4 152 B14R1.149 CC(C)OCC(O)C1=CC(=CC=C1)F MCULE-3226677429 [0,1,0,0,0,0|2,0,1]=4 153 B14R1.149 NC(CCC(=O)O)C1=CC(=CC=C1)Cl MCULE-4748367440 [0,1,0,0,0,0|3,0,0]=4 154 B14R1.149 NC(CCC(=O)O)C1=CC(=CC=C1)Cl MCULE-8697903079 [0,1,0,0,0,0|3,0,0]=4 155 B14R1.160 CC(=O)OCC(=O)C1=CC=CC=C1C MCULE-6335589175 [0,1,0,0,0,0|1,0,2]=4 156 B14R1.160 CC(=O)OCC(=O)C1=CC=CC=C1Cl MCULE-4816364116 [0,1,0,0,0,0|1,0,2]=4 157 B14R1.160 CC(=O)OCC(=O)C1=CC=CC=C1F MCULE-9043405538 [0,1,0,0,0,0|1,0,2]=4 158 B14R1.160 NC(=O)OC[C@@H](O)C1=CC=CC=C1Cl MCULE-1388399239 [0,1,0,0,0,0|0,0,0]=1 159 B14R1.160 NC(=O)OC[C@H](O)C1=CC=CC=C1Cl MCULE-3510932576 [0,1,0,0,0,0|0,0,0]=1 160 B14R1.160 NC(=O)OC[C@H](O)C1=CC=CC=C1Cl MCULE-4461849761 [0,1,0,0,0,0|0,0,0]=1 161 B14R1.163 CC(CNC(=O)CCl)C1=CC=CC=C1 MCULE-8675605607 [0,1,0,0,0,0|3,0,0]=4 162 B14R1.163 CC(NCC(=O)NN)C1=CC=CC=C1 MCULE-9773214337 [0,1,0,0,0,0|3,0,0]=4 163 B14R1.163 CNC(=O)NCC(O)C1=CC=CC=C1 MCULE-3274248414 [0,1,0,0,0,0|1,0,0]=2 164 B14R1.163 COC(=O)CCC(N)C1=CC=CC=C1 MCULE-1668050409 [0,1,0,0,0,0|3,0,0]=4 165 B14R1.163 COC(=O)CCC(N)C1=CC=CC=C1 MCULE-4492355742 [0,1,0,0,0,0|3,0,0]=4 166 B14R1.163 NNC(=O)CCC(O)C1=CC=CC=C1 MCULE-3974704061 [0,1,0,0,0,0|1,0,0]=2 167 B14R1.163 O=C(CBr)NCC(O)C1=CC=CC=C1 MCULE-4718623000 [0,1,0,0,0,0|2,0,0]=3 168 B14R1.163 O=C(CCl)NCC(O)C1=CC=CC=C1 MCULE-8101739835 [0,1,0,0,0,0|2,0,0]=3 169 B14R1.415 CC(C[C@H](N)C(=O)O)C1=CC=CC=C1 MCULE-5024809530 [0,1,0,0,0,0|3,0,0]=4 170 B14R1.417 CC(CC(=O)O)C(C)C1=CC=CC=C1 MCULE-3172279563 [0,1,0,0,0,0|3,0,0]=4 171 B14R1.417 NC(=O)NC(=O)C(Cl)C1=CC=CC=C1 MCULE-8649787623 [0,1,0,0,0,0|2,0,1]=4 172 B14R1.540 NC(=O)OCC(CO)C1=CC=CC=C1 MCULE-5016914467 [0,1,0,0,0,0|0,0,0]=1 173 B14R1.678 CC(=O)NCC(O)C1=CC=C(C=C1)Cl MCULE-9993520858 [0,1,0,0,0,0|2,0,0]=3 174 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)Br MCULE-9872833423 [0,1,0,0,0,0|1,0,2]=4 175 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)C MCULE-9752039405 [0,1,0,0,0,0|1,0,2]=4 176 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)Cl MCULE-3855331581 [0,1,0,0,0,0|1,0,2]=4 177 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)F MCULE-4562932917 [0,1,0,0,0,0|1,0,2]=4 178 B14R1.678 CC(CCC(=O)O)C1=CC=C(C=C1)Br MCULE-6606857325 [0,1,0,0,0,0|3,0,0]=4 179 B14R1.678 CC1=CC=C(C=C1)C(C)CCC(=O)O MCULE-9424902827 [0,1,0,0,0,0|3,0,0]=4 180 B14R1.678 CC1=CC=C(C=C1)C(N)CCC(=O)O MCULE-6534537933 [0,1,0,0,0,0|3,0,0]=4 181 B14R1.678 CC1=CC=C(C=C1)C(N)CCC(=O)O MCULE-8934648795 [0,1,0,0,0,0|3,0,0]=4 182 B14R1.678 CC1=CC=C(C=C1)C(O)CCC(=O)O MCULE-7019370248 [0,1,0,0,0,0|2,0,0]=3 183 B14R1.678 NC(CCC(=O)O)C1=CC=C(C=C1)Br MCULE-5646613493 [0,1,0,0,0,0|3,0,0]=4 184 B14R1.678 NC(CCC(=O)O)C1=CC=C(C=C1)Br MCULE-8459699060 [0,1,0,0,0,0|3,0,0]=4 185 B14R1.678 NC(CCC(=O)O)C1=CC=C(C=C1)F MCULE-6014730188 [0,1,0,0,0,0|3,0,0]=4 186 B14R1.678 O=C(O)CCC(O)C1=CC=C(C=C1)F MCULE-3515269984 [0,1,0,0,0,0|2,0,0]=3 187 B14R1.813 CC(=O)NCC(C)(O)C1=CC=CC=C1 MCULE-3255978453 [0,1,0,0,0,0|2,0,0]=3 188 B14R1.813 CC(C)(CCC(=O)O)C1=CC=CC=C1 MCULE-2264539127 [0,1,0,0,0,0|3,0,0]=4 189 B14R1.813 CC(C)(CNC(=O)N)C1=CC=CC=C1 MCULE-6412533776 [0,1,0,0,0,0|2,0,0]=3 190 B14R1.813 NC(=O)CCS(=O)(=O)C1=CC=CC=C1 MCULE-2423641601 [0,1,0,0,0,0|2,0,1]=4 191 B14R1.813 O=C(O)CCP(=O)(O)C1=CC=CC=C1 MCULE-6091531275 [0,1,0,0,0,0|3,0,0]=4 192 B14R2.68 O=C1CCC(=NN1)C2=CC=CC=C2 MCULE-1170019327 [0,0,0,1,0,0|2,0,1]=4 193 B14R2.68 O=C1CCC(CC1)C2=CC=CC=C2 MCULE-1591095421 [0,0,0,1,0,0|3,0,0]=4 194 B14R2.68 O=C1CCC(CN1)C2=CC=CC=C2 MCULE-7028097508 [0,0,0,1,0,0|2,0,0]=3 195 B14R2.68 O=C1CNC(CN1)C2=CC=CC=C2 MCULE-1084020142 [0,0,0,1,0,0|3,0,0]=4 196 B14R2.68 O=C1CNC(CO1)C2=CC=CC=C2 MCULE-2399838842 [0,0,0,1,0,0|2,0,0]=3 197 B14R2.68 O=C1CNC(CO1)C2=CC=CC=C2 MCULE-5479768401 [0,0,0,1,0,0|2,0,0]=3 198 B14R2.68 O=C1CNC(CO1)C2=CC=CC=C2 MCULE-6087694136 [0,0,0,1,0,0|2,0,0]=3 199 B14R2.68 O=C1CNC(CO1)C2=CC=CC=C2 MCULE-9395087621 [0,0,0,1,0,0|2,0,0]=3 200 B14R2.68 O=C1CN[C@@H](CO1)C2=CC=CC=C2 MCULE-2473552563 [0,0,0,1,0,0|2,0,0]=3 201 B14R2.68 O=C1CN[C@@H](CO1)C2=CC=CC=C2 MCULE-3807136789 [0,0,0,1,0,0|2,0,0]=3 202 B14R2.68 O=C1CN[C@@H](CO1)C2=CC=CC=C2 MCULE-7144706940 [0,0,0,1,0,0|2,0,0]=3 203 B14R2.68 O=C1CN[C@@H](CO1)C2=CC=CC=C2 MCULE-8623776226 [0,0,0,1,0,0|2,0,0]=3 204 B14R2.68 O=C1CN[C@H](CO1)C2=CC=CC=C2 MCULE-2114816094 [0,0,0,1,0,0|2,0,0]=3 205 B14R2.68 O=C1CN[C@H](CO1)C2=CC=CC=C2 MCULE-3806037855 [0,0,0,1,0,0|2,0,0]=3 206 B14R2.68 O=C1CN[C@H](CO1)C2=CC=CC=C2 MCULE-6047548421 [0,0,0,1,0,0|2,0,0]=3 207 B14R2.68 O=C1CN[C@H](CO1)C2=CC=CC=C2 MCULE-7409844924 [0,0,0,1,0,0|2,0,0]=3 208 B14R2.68 O=C1COC(CN1)C2=CC=CC=C2 MCULE-4350226044 [0,0,0,1,0,0|2,0,0]=3 209 B14R2.68 O=C1COC(OC1)C2=CC=CC=C2 MCULE-4228348863 [0,0,0,1,0,0|3,0,0]=4 210 B14R2.68 O=C1NCC(=NN1)C2=CC=CC=C2 MCULE-9406728041 [0,0,0,1,0,0|2,0,1]=4 211 B14R2.287 CC1CCC(=O)CC2=C1C=CC=C2 MCULE-6054693972 [0,0,0,1,0,0|3,0,0]=4 212 B14R2.287 CC1NCC(=O)NC2=CC=CC=C12 MCULE-6461842845 [0,0,0,1,0,0|3,0,0]=4 213 B14R2.287 CN1CCC(=O)NC2=CC=CC=C12 MCULE-5099816138 [0,0,0,1,0,0|3,0,0]=4 214 B14R2.287 O=C1CCC(=O)C2=C(N1)C=CC=C2 MCULE-3074037494 [0,0,0,1,0,0|1,0,2]=4 215 B14R2.403 CC1(OCC(O1)C2=CC=CC=C2)C MCULE-5360503313 [0,0,0,1,0,0|2,0,1]=4 216 B14R2.779 O=C(O)C1CC(C1)C2=CC=CC=C2 MCULE-6473740503 [0,0,0,1,0,0|3,0,0]=4 217 B14R2.779 O=C(O)[C@H]1C[C@@H](C1)C2=CC=CC=C2 MCULE-1412094106 [0,0,0,1,0,0|3,0,0]=4 218 B14R2.779 O=C(O)[C@H]1C[C@H](C1)C2=CC=CC=C2 MCULE-7658589356 [0,0,0,1,0,0|3,0,0]=4 219 B14R2.790 CC(=O)NC1CC1C2=CC=CC=C2 MCULE-9278473150 [0,0,0,1,0,0|3,0,0]=4 220 B14R2.790 CC(=O)N[C@H]1C[C@@H]1C2=CC=CC=C2 MCULE-8791099104 [0,0,0,1,0,0|3,0,0]=4 221 B14R2.2950 CC1(CCC(=O)C1)C2=CC=CC=C2 MCULE-2261232685 [0,0,0,1,0,0|3,0,0]=4 222 B14R2.2950 CC1(CCC(=O)O1)C2=CC=CC=C2 MCULE-9758426602 [0,0,0,1,0,0|3,0,0]=4 223 B14R2.2950 CC1(CNC(=O)C1)C2=CC=CC=C2 MCULE-5329005555 [0,0,0,1,0,0|3,0,0]=4 224 B14R2.2950 CC1(CNC(=O)N1)C2=CC=CC=C2 MCULE-7705629597 [0,0,0,1,0,0|2,0,0]=3 225 B14R2.2950 CC1(CNC(=S)N1)C2=CC=CC=C2 MCULE-7918943023 [0,0,0,1,0,0|2,1,0]=4 226 B14R2.2950 C[N+]1(CCC(=O)N1)C2=CC=CC=C2 MCULE-1629998501 [0,0,0,1,0,0|3,0,0]=4 227 B14R2.2950 C[N+]1(CCC(=O)N1)C2=CC=CC=C2 MCULE-4642719996 [0,0,0,1,0,0|3,0,0]=4 228 B14R2.9520 CC1(CC1C(=O)O)C2=CC=CC=C2 MCULE-4424623289 [0,0,0,1,0,0|3,0,0]=4 229 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 MCULE-7599252846 [0,0,0,1,0,0|3,0,0]=4 230 B14R2.25733 N[C@H]1C[C@H](C2=CC=CC=C12)C(=O)O MCULE-3664589285 [0,0,0,1,0,0|3,0,0]=4 231 B14R2.25733 N[C@H]1C[C@H](C2=CC=CC=C12)C(=O)O MCULE-6064527057 [0,0,0,1,0,0|3,0,0]=4 232 B14R2.25733 O=C(O)C1CC(C2=C1C=CC=C2)O MCULE-4366292681 [0,0,0,1,0,0|2,0,0]=3 233 B14R2.29285 O=S1(=O)CCC(C2=C1C=CC=C2)O MCULE-7664696405 [0,0,0,1,0,0|3,0,0]=4 234 B14R2.29285 O=S1(=O)CC[C@H](C2=C1C=CC=C2)O MCULE-2638476975 [0,0,0,1,0,0|3,0,0]=4 235 B14R2.29285 O=S1(=O)CC[C@H](C2=C1C=CC=C2)O MCULE-5734588007 [0,0,0,1,0,0|3,0,0]=4 236 B12R1.107 C=C(C)C[C@@H](N)C1=CC=CC=C1 MCULE-6104053205 [0,0,0,0,1,0|3,0,0]=4 237 B12R1.107 C=C(C)C[C@@H](N)C1=CC=CC=C1 MCULE-6881905979 [0,0,0,0,1,0|3,0,0]=4 238 B12R1.107 C=C(C)C[C@H](N)C1=CC=CC=C1 MCULE-6633658670 [0,0,0,0,1,0|3,0,0]=4 239 B12R1.107 C=C(C)C[C@H](N)C1=CC=CC=C1 MCULE-9710674460 [0,0,0,0,1,0|3,0,0]=4 240 B12R1.107 C=C(OC(=O)C)C1=CC=CC=C1 MCULE-4064749340 [0,0,0,0,1,0|2,0,1]=4 241 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 MCULE-5543155182 [0,0,0,0,1,0|1,0,2]=4 242 B12R1.107 CC(=O)CC(C)C1=CC=CC=C1 MCULE-9238946189 [0,0,0,0,1,0|2,0,0]=3 243 B12R1.107 CC(=O)CC(O)C1=CC=CC=N1 MCULE-4578524434 [0,0,0,0,1,0|2,0,0]=3 244 B12R1.107 CC(=O)C[C@@H](O)C1=CC=[NH+]C=C1 MCULE-5834701488 [0,0,0,0,1,0|2,0,0]=3 245 B12R1.107 CC(=O)C[C@@H](O)C1=CC=[NH+]C=C1 MCULE-9298145324 [0,0,0,0,1,0|2,0,0]=3 246 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 MCULE-1517039596 [0,0,0,0,1,0|3,0,0]=4 247 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 MCULE-7308870082 [0,0,0,0,1,0|3,0,0]=4 248 B12R1.107 CC(=O)N[C@@H](C)C1=CC=CC=C1 MCULE-3728241344 [0,0,0,0,1,0|3,0,0]=4 249 B12R1.107 CC(=O)N[C@@H](C)C1=CC=CC=C1 MCULE-9566820496 [0,0,0,0,1,0|3,0,0]=4 250 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 MCULE-3913313961 [0,0,0,0,1,0|3,0,0]=4 251 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 MCULE-4525565637 [0,0,0,0,1,0|3,0,0]=4 252 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 MCULE-4422609619 [0,0,0,0,1,0|2,0,0]=3 253 B12R1.107 CC(C)CC(O)C1=CC=CC=C1 MCULE-7183094881 [0,0,0,0,1,0|2,0,1]=4 254 B12R1.107 CC(CC(=O)Cl)C1=CC=CC=C1 MCULE-4708189102 [0,0,0,0,1,0|2,0,0]=3 255 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 MCULE-3754045547 [0,0,0,0,1,0|1,0,0]=2 256 B12R1.107 CC(CC(=O)N)C1=CN=CC=C1 MCULE-9915486688 [0,0,0,0,1,0|2,0,0]=3 257 B12R1.107 CC(CC(=O)N)C1=NC=CC=C1 MCULE-7939509598 [0,0,0,0,1,0|2,0,0]=3 258 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 MCULE-1818982541 [0,0,0,0,1,0|2,0,0]=3 259 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 MCULE-9130531300 [0,0,0,0,1,0|2,0,0]=3 260 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 MCULE-1879755739 [0,0,0,0,1,0|3,0,0]=4 261 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 MCULE-8728544232 [0,0,0,0,1,0|3,0,0]=4 262 B12R1.107 CC(CC(=O)O)C1=CN=CC=C1 MCULE-4344627167 [0,0,0,0,1,0|3,0,0]=4 263 B12R1.107 CC(CC(=O)O)C1=NC=CC=C1 MCULE-9337822764 [0,0,0,0,1,0|3,0,0]=4 264 B12R1.107 CC(N)CC(O)C1=CC=CC=C1 MCULE-9248021917 [0,0,0,0,1,0|1,0,1]=3 265 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 MCULE-1387431382 [0,0,0,0,1,0|3,0,0]=4 266 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 MCULE-3718526305 [0,0,0,0,1,0|3,0,0]=4 267 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 MCULE-8086419212 [0,0,0,0,1,0|2,0,0]=3 268 B12R1.107 CC(NC(=S)N)C1=CC=CC=C1 MCULE-3075661616 [0,0,0,0,1,0|2,1,0]=4 269 B12R1.107 CC(OC(=O)Cl)C1=CC=CC=C1 MCULE-8877097978 [0,0,0,0,1,0|2,0,0]=3 270 B12R1.107 CC(SC(=N)N)C1=CC=CC=C1 MCULE-6296721401 [0,0,0,0,1,0|2,1,0]=4 271 B12R1.107 CC(SC(=N)N)C1=CC=CC=C1 MCULE-7137877949 [0,0,0,0,1,0|2,1,0]=4 272 B12R1.107 CN(C)CC(O)C1=CC=CC=C1 MCULE-3718465390 [0,0,0,0,1,0|3,0,0]=4 273 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 MCULE-7004731588 [0,0,0,0,1,0|3,0,0]=4 274 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 MCULE-4486543495 [0,0,0,0,1,0|3,0,0]=4 275 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 MCULE-8724497404 [0,0,0,0,1,0|3,0,0]=4 276 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 MCULE-8811129743 [0,0,0,0,1,0|3,0,0]=4 277 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-6537602947 [0,0,0,0,1,0|2,0,0]=3 278 B12R1.107 C[C@@H](NC(=O)N)C1=CC=CC=C1 MCULE-1375538673 [0,0,0,0,1,0|2,0,0]=3 279 B12R1.107 C[C@@H](NC(=O)N)C1=CC=CC=C1 MCULE-2337945690 [0,0,0,0,1,0|2,0,0]=3 280 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-1783067351 [0,0,0,0,1,0|2,0,0]=3 281 B12R1.107 C[C@H](NC(=O)N)C1=CC=CC=C1 MCULE-3644769281 [0,0,0,0,1,0|2,0,0]=3 282 B12R1.107 C[C@H](NC(=O)N)C1=CC=CC=C1 MCULE-4403427847 [0,0,0,0,1,0|2,0,0]=3 283 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 MCULE-9691688431 [0,0,0,0,1,0|0,0,2]=3 284 B12R1.107 NC(=O)C[C@H](N)C1=NC=CC=C1 MCULE-2055508769 [0,0,0,0,1,0|2,0,0]=3 285 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 MCULE-1037521403 [0,0,0,0,1,0|1,0,2]=4 286 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MCULE-2945759933 [0,0,0,0,1,0|2,0,0]=3 287 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MCULE-3660219565 [0,0,0,0,1,0|2,0,0]=3 288 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MCULE-5669000935 [0,0,0,0,1,0|2,0,0]=3 289 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MCULE-6127429811 [0,0,0,0,1,0|2,0,0]=3 290 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 MCULE-5271217908 [0,0,0,0,1,0|3,0,0]=4 291 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 MCULE-8367527410 [0,0,0,0,1,0|3,0,0]=4 292 B12R1.107 NC(CC(=O)O)C1=CN=CC=C1 MCULE-7701521233 [0,0,0,0,1,0|3,0,0]=4 293 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 MCULE-8197120685 [0,0,0,0,1,0|3,0,0]=4 294 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 MCULE-8978093399 [0,0,0,0,1,0|3,0,0]=4 295 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 MCULE-6961208756 [0,0,0,0,1,0|3,0,0]=4 296 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-2881987414 [0,0,0,0,1,0|2,0,0]=3 297 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-4499633586 [0,0,0,0,1,0|2,0,0]=3 298 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-8154475618 [0,0,0,0,1,0|2,0,0]=3 299 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-9668897685 [0,0,0,0,1,0|2,0,0]=3 300 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 MCULE-8008871735 [0,0,0,0,1,0|3,0,0]=4 301 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 MCULE-1818764556 [0,0,0,0,1,0|3,0,0]=4 302 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 MCULE-7993134271 [0,0,0,0,1,0|3,0,0]=4 303 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 MCULE-6104330998 [0,0,0,0,1,0|3,0,0]=4 304 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-1696975646 [0,0,0,0,1,0|2,0,0]=3 305 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-4246457220 [0,0,0,0,1,0|2,0,0]=3 306 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-6312772741 [0,0,0,0,1,0|2,0,0]=3 307 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-9809220026 [0,0,0,0,1,0|2,0,0]=3 308 B12R1.107 N[C@H](CC(=O)O)C1=CC=NC=C1 MCULE-3085105624 [0,0,0,0,1,0|3,0,0]=4 309 B12R1.107 N[C@H](CC(=O)O)C1=CN=CC=C1 MCULE-5358734090 [0,0,0,0,1,0|3,0,0]=4 310 B12R1.107 N[C@H](CC(=O)O)C1=CN=CC=C1 MCULE-8892846784 [0,0,0,0,1,0|3,0,0]=4 311 B12R1.107 N[C@H](CC(=O)O)C1=NC=CC=C1 MCULE-4188239090 [0,0,0,0,1,0|3,0,0]=4 312 B12R1.107 N[C@H](CC(=O)O)C1=NC=CC=C1 MCULE-4969866976 [0,0,0,0,1,0|3,0,0]=4 313 B12R1.107 N[C@H](CC(=O)O)C1=NC=CC=C1 MCULE-5722712432 [0,0,0,0,1,0|3,0,0]=4 314 B12R1.107 N[C@H](CC(=O)O)C1=NC=CC=C1 MCULE-8127179594 [0,0,0,0,1,0|3,0,0]=4 315 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 MCULE-6221631058 [0,0,0,0,1,0|1,0,2]=4 316 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 MCULE-7295763261 [0,0,0,0,1,0|2,0,0]=3 317 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 MCULE-3174091335 [0,0,0,0,1,0|1,0,0]=2 318 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 MCULE-8184353492 [0,0,0,0,1,0|1,0,0]=2 319 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 MCULE-5469995618 [0,0,0,0,1,0|1,0,0]=2 320 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 MCULE-2660128967 [0,0,0,0,1,0|1,0,2]=4 321 B12R1.107 O=N(=O)CC(O)C1=CC=CC=C1 MCULE-4840150320 [0,0,0,0,1,0|2,0,0]=3 322 B12R1.107 O=N(=O)CC(O)C1=CC=CN=C1 MCULE-5022869891 [0,0,0,0,1,0|3,0,0]=4 323 B12R1.107 O=N(=O)CC(O)C1=CC=NC=C1 MCULE-3773124498 [0,0,0,0,1,0|3,0,0]=4 324 B12R1.107 [C@@H](C)(CC(=O)O)C1=CC=CC=C1 MCULE-2554692536 [0,0,0,0,1,0|2,0,0]=3 325 B12R1.107 [NH+]1=CC=CC=C1C(O)CC(=O)C MCULE-4067045723 [0,0,0,0,1,0|2,0,0]=3 326 B14R1.420 CC(=O)OCCC(=O)C1=CC=CC=C1 MCULE-3789491063 [0,0,0,0,0,1|1,0,2]=4 327 B14R1.420 CC(C=NNC(=O)N)C1=CC=CC=C1 MCULE-9893554645 [0,0,0,0,0,1|2,0,1]=4 328 B14R1.420 CC(CCCC(=O)O)C1=CC=CC=C1 MCULE-7532695944 [0,0,0,0,0,1|3,0,0]=4 329 B14R1.420 CC(CCNC(=O)N)C1=CC=CC=C1 MCULE-1250304699 [0,0,0,0,0,1|2,0,0]=3 330 B14R1.420 CC(CCSC(=N)N)C1=CC=CC=C1 MCULE-3372260516 [0,0,0,0,0,1|2,1,0]=4 331 B14R1.420 CC(COCC(=O)O)C1=CC=CC=C1 MCULE-5048283025 [0,0,0,0,0,1|2,0,0]=3 332 B14R1.420 CC(NCCC(=O)N)C1=CC=CC=C1 MCULE-7418877508 [0,0,0,0,0,1|2,0,0]=3 333 B14R1.420 CC(NCCC(=O)O)C1=CC=CC=C1 MCULE-7791545562 [0,0,0,0,0,1|3,0,0]=4 334 B14R1.420 CC(SCCC(=O)O)C1=CC=CC=C1 MCULE-9108523998 [0,0,0,0,0,1|3,0,0]=4 335 B14R1.420 NC(=O)CCCC(=O)C1=CC=CC=C1 MCULE-9094711769 [0,0,0,0,0,1|1,0,2]=4 336 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-2511685381 [0,0,0,0,0,1|3,0,0]=4 337 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-3268292691 [0,0,0,0,0,1|3,0,0]=4 338 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-4083411228 [0,0,0,0,0,1|3,0,0]=4 339 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-6742004481 [0,0,0,0,0,1|3,0,0]=4 340 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-1095590446 [0,0,0,0,0,1|3,0,0]=4 341 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-5504214390 [0,0,0,0,0,1|3,0,0]=4 342 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-9472436551 [0,0,0,0,0,1|3,0,0]=4 343 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-9528661588 [0,0,0,0,0,1|3,0,0]=4 344 B14R1.420 O=C(O)CCCC(O)C1=CC=CC=C1 MCULE-9363545821 [0,0,0,0,0,1|2,0,0]=3 345 B14R1.420 O=C([O-])CCCC(O)C1=CC=CC=C1 MCULE-4871864425 [0,0,0,0,0,1|2,0,0]=3 346 B14R1.420 OC(CCOC(=S)[S-])C1=CC=CC=C1 MCULE-3572208564 [0,0,0,0,0,1|1,1,0]=3 347 B14R1.420 OC(CCOC(=S)[S-])C1=CC=CC=C1 MCULE-9498944514 [0,0,0,0,0,1|1,1,0]=3 348 B14R1.423 CC(CCC(=O)O)CC1=CC=CC=C1 MCULE-7245556530 [0,0,0,0,0,1|3,0,0]=4 349 B14R1.423 CN(CCC(=O)N)CC1=CC=CC=C1 MCULE-1616689712 [0,0,0,0,0,1|3,0,0]=4 350 B14R1.423 CN(CCC(=O)N)CC1=CC=CC=C1 MCULE-5261027929 [0,0,0,0,0,1|3,0,0]=4 351 B14R1.423 NC(=O)OCC(N)CC1=CC=CC=C1 MCULE-3233675360 [0,0,0,0,0,1|1,0,0]=2 352 B14R1.423 NC(=O)OC[C@@H](N)CC1=CC=CC=C1 MCULE-5219858540 [0,0,0,0,0,1|1,0,0]=2 353 B14R1.423 NC(=O)OC[C@@H](N)CC1=CC=CC=C1 MCULE-7236621568 [0,0,0,0,0,1|1,0,0]=2 354 B14R1.423 NC(=O)OC[C@H](N)CC1=CC=CC=C1 MCULE-2874503113 [0,0,0,0,0,1|1,0,0]=2 355 B14R1.423 NC(=O)OC[C@H](N)CC1=CC=CC=C1 MCULE-4294290184 [0,0,0,0,0,1|1,0,0]=2 356 B14R1.423 NC(=O)SCC(=O)NC1=CC=CC=C1 MCULE-9240800584 [0,0,0,0,0,1|0,1,2]=4 357 B14R1.423 NC(CCC(=O)O)CC1=CC=CC=C1 MCULE-4105572133 [0,0,0,0,0,1|3,0,0]=4 358 B14R1.423 N[C@@H](CCC(=O)O)CC1=CC=CC=C1 MCULE-2868922436 [0,0,0,0,0,1|3,0,0]=4 359 B14R1.423 N[C@H](CCC(=O)O)CC1=CC=CC=C1 MCULE-1418973308 [0,0,0,0,0,1|3,0,0]=4 360 B11R1.16 C#CCC(O)C1=CC=CC=C1 MCULE-6204211860 [2,0,0,0,0,0|1,0,1]=4 361 B11R1.16 C=CCC(N)C1=CC=CC=C1 MCULE-1864719077 [2,0,0,0,0,0|2,0,0]=4 362 B11R1.16 C=CCC(N)C1=CC=CC=C1 MCULE-6867715843 [2,0,0,0,0,0|2,0,0]=4 363 B11R1.16 C=CCC(N)C1=CC=CC=C1 MCULE-7093118066 [2,0,0,0,0,0|2,0,0]=4 364 B11R1.16 C=CCC(N)C1=CC=CC=C1 MCULE-9692035980 [2,0,0,0,0,0|2,0,0]=4 365 B11R1.16 C=CCC(O)C1=CC=CC=C1 MCULE-7985508529 [2,0,0,0,0,0|1,0,0]=3 366 B11R1.16 C=CCC(O)C1=NC=CC=C1 MCULE-9255119142 [2,0,0,0,0,0|2,0,0]=4 367 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 MCULE-2228586285 [2,0,0,0,0,0|2,0,0]=4 368 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 MCULE-5586465819 [2,0,0,0,0,0|2,0,0]=4 369 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 MCULE-9741868878 [2,0,0,0,0,0|2,0,0]=4 370 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 MCULE-9964169650 [2,0,0,0,0,0|2,0,0]=4 371 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 MCULE-3506905463 [2,0,0,0,0,0|2,0,0]=4 372 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 MCULE-5212306434 [2,0,0,0,0,0|2,0,0]=4 373 B11R1.16 CC(CC=O)C1=CC=CC=C1 MCULE-5781968913 [2,0,0,0,0,0|1,0,0]=3 374 B11R1.16 CC(CCN)C1=CC=CC=C1 MCULE-2072654827 [2,0,0,0,0,0|1,0,1]=4 375 B11R1.16 CC(CCN)C1=CC=CC=C1 MCULE-9817519645 [2,0,0,0,0,0|1,0,1]=4 376 B11R1.16 CC(NC=O)C1=CC=CC=C1 MCULE-6130000991 [2,0,0,0,0,0|2,0,0]=4 377 B11R1.16 CCCC(O)C1=CC=CC=C1 MCULE-6830799650 [2,0,0,0,0,0|1,0,1]=4 378 B11R1.16 CCC[C@@H](O)C1=CC=CC=C1 MCULE-2615650303 [2,0,0,0,0,0|1,0,1]=4 379 B11R1.16 CCC[C@@H](O)C1=CC=CC=C1 MCULE-4046261564 [2,0,0,0,0,0|1,0,1]=4 380 B11R1.16 CCC[C@H](O)C1=CC=CC=C1 MCULE-6252987708 [2,0,0,0,0,0|1,0,1]=4 381 B11R1.16 CCC[C@H](O)C1=CC=CC=C1 MCULE-9269721584 [2,0,0,0,0,0|1,0,1]=4 382 B11R1.16 CNCC(O)C1=CC=CC=C1 MCULE-2133133075 [2,0,0,0,0,0|1,0,1]=4 383 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 MCULE-3316318792 [2,0,0,0,0,0|1,0,1]=4 384 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 MCULE-7595347617 [2,0,0,0,0,0|1,0,1]=4 385 B11R1.16 COCC(Br)C1=CC=CC=C1 MCULE-7873145384 [2,0,0,0,0,0|1,0,1]=4 386 B11R1.16 COCC(N)C1=CC=CC=C1 MCULE-5332048869 [2,0,0,0,0,0|1,0,1]=4 387 B11R1.16 COCC(N)C1=CC=CC=C1 MCULE-5834903849 [2,0,0,0,0,0|1,0,1]=4 388 B11R1.16 COCC(O)C1=CC=CC=C1 MCULE-5875034773 [2,0,0,0,0,0|0,0,1]=3 389 B11R1.16 COCC(S)C1=CC=CC=C1 MCULE-7883683660 [2,0,0,0,0,0|0,1,1]=4 390 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 MCULE-1611468973 [2,0,0,0,0,0|1,0,1]=4 391 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 MCULE-1781666668 [2,0,0,0,0,0|1,0,1]=4 392 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 MCULE-2008781182 [2,0,0,0,0,0|1,0,1]=4 393 B11R1.16 COC[C@H](N)C1=CC=CC=C1 MCULE-1609239359 [2,0,0,0,0,0|1,0,1]=4 394 B11R1.16 COC[C@H](N)C1=CC=CC=C1 MCULE-3127411387 [2,0,0,0,0,0|1,0,1]=4 395 B11R1.16 COC[C@H](N)C1=CC=CC=C1 MCULE-7416313832 [2,0,0,0,0,0|1,0,1]=4 396 B11R1.16 COC[C@H](N)C1=CC=CC=C1 MCULE-8724813976 [2,0,0,0,0,0|1,0,1]=4 397 B11R1.16 N#CCC(O)C1=CC=CC=C1 MCULE-4535483995 [2,0,0,0,0,0|0,0,2]=4 398 B11R1.16 N#CC[C@@H](O)C1=CC=CC=C1 MCULE-6661536641 [2,0,0,0,0,0|0,0,2]=4 399 B11R1.16 NCCC(N)C1=CC=CC=C1 MCULE-2386957658 [2,0,0,0,0,0|1,0,1]=4 400 B11R1.16 NCCC(O)C1=CC=CC=C1 MCULE-1261357373 [2,0,0,0,0,0|0,0,1]=3 401 B11R1.16 NCCC(O)C1=CC=CC=C1 MCULE-3380871359 [2,0,0,0,0,0|0,0,1]=3 402 B11R1.16 NCCC(O)C1=CC=CC=C1 MCULE-9620957066 [2,0,0,0,0,0|0,0,1]=3 403 B11R1.16 NCC[C@@H](N)C1=CC=CC=C1 MCULE-1645945838 [2,0,0,0,0,0|1,0,1]=4 404 B11R1.16 NCC[C@@H](N)C1=CC=CC=C1 MCULE-7131022850 [2,0,0,0,0,0|1,0,1]=4 405 B11R1.16 NCC[C@@H](O)C1=CC=CC=C1 MCULE-5132520306 [2,0,0,0,0,0|0,0,1]=3 406 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 MCULE-4049431649 [2,0,0,0,0,0|1,0,1]=4 407 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 MCULE-9254303480 [2,0,0,0,0,0|1,0,1]=4 408 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 MCULE-3871708854 [2,0,0,0,0,0|0,0,1]=3 409 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 MCULE-8847005510 [2,0,0,0,0,0|0,0,1]=3 410 B11R1.16 O=CCC(=O)C1=CC=CC=C1 MCULE-1410979980 [2,0,0,0,0,0|0,0,2]=4 411 B11R1.16 O=CCC(O)C1=CC=CC=C1 MCULE-3271665002 [2,0,0,0,0,0|0,0,0]=2 412 B11R1.16 OC(CCBr)C1=CC=CC=C1 MCULE-8557497786 [2,0,0,0,0,0|1,0,1]=4 413 B11R1.16 OC(CCCl)C1=CC=CC=C1 MCULE-4092657273 [2,0,0,0,0,0|1,0,1]=4 414 B11R1.16 OC(CCCl)C1=CC=CC=C1 MCULE-6409929052 [2,0,0,0,0,0|1,0,1]=4 415 B11R1.16 OCCC(O)C1=CC=CC=C1 MCULE-5266176358 [2,0,0,0,0,0|0,0,2]=4 416 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 MCULE-2657493789 [2,0,0,0,0,0|1,0,1]=4 417 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 MCULE-2670185726 [2,0,0,0,0,0|1,0,1]=4 418 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 MCULE-5757459911 [2,0,0,0,0,0|1,0,1]=4 419 B11R1.16 [C@@H](O)(CCCl)C1=CC=CC=C1 MCULE-4946159975 [2,0,0,0,0,0|1,0,1]=4 420 B11R1.28 C=CCCCC1=CC=CC=C1 MCULE-5260978254 [2,0,0,0,0,0|2,0,0]=4 421 B11R1.28 NCCCCC1=CC=CC=C1 MCULE-3134654670 [2,0,0,0,0,0|1,0,1]=4 422 B11R1.28 NCCCCC1=CC=CC=C1 MCULE-8668959909 [2,0,0,0,0,0|1,0,1]=4 423 B11R1.28 NNCCCC1=CC=CC=C1 MCULE-5767008376 [2,0,0,0,0,0|2,0,0]=4 424 B11R1.28 NNCCCC1=CC=CC=C1 MCULE-9018877253 [2,0,0,0,0,0|2,0,0]=4 425 B11R1.28 NOCCCC1=CC=CC=C1 MCULE-2757934386 [2,0,0,0,0,0|2,0,0]=4 426 B11R1.28 NOCCCC1=CC=CC=C1 MCULE-8331883390 [2,0,0,0,0,0|2,0,0]=4 427 B11R1.28 O=C=NCCC1=CC=CC=C1 MCULE-5298777161 [2,0,0,0,0,0|1,0,1]=4 428 B11R1.28 O=CCCCC1=CC=CC=C1 MCULE-3576210930 [2,0,0,0,0,0|1,0,0]=3 429 B11R1.28 O=CCCCC1=CC=CN=C1 MCULE-3138480126 [2,0,0,0,0,0|2,0,0]=4 430 B11R1.28 O=CCCOC1=CC=CC=C1 MCULE-3969849914 [2,0,0,0,0,0|2,0,0]=4 431 B11R1.28 O=CCOCC1=CC=CC=C1 MCULE-2981547830 [2,0,0,0,0,0|2,0,0]=4 432 B11R1.28 O=CCSCC1=CC=CC=C1 MCULE-4776696730 [2,0,0,0,0,0|2,0,0]=4 433 B11R1.28 O=CNCCC1=CC=CC=C1 MCULE-4325229126 [2,0,0,0,0,0|1,0,0]=3 434 B11R1.28 O=COCCC1=CC=CC=C1 MCULE-5214185621 [2,0,0,0,0,0|0,0,0]=2 435 B13R1.17 C=CCCC(O)C1=CC=C(C=C1)Br MCULE-4888980821 [1,1,0,0,0,0|2,0,0]=4 436 B13R1.17 NCCCC(O)C1=CC=C(C=C1)F MCULE-1760228621 [1,1,0,0,0,0|1,0,1]=4 437 B13R1.17 NCCCC(O)C1=CC=C(C=C1)F MCULE-4668731060 [1,1,0,0,0,0|1,0,1]=4 438 B13R1.18 C=CCCC(O)C1=CC(=CC=C1)Cl MCULE-7811496080 [1,1,0,0,0,0|2,0,0]=4 439 B13R1.18 O=COCC(=O)C1=CC(=CC=C1)Br MCULE-2991271959 [1,1,0,0,0,0|0,0,2]=4 440 B13R1.122 CC(C)(CNC=O)C1=CC=CC=C1 MCULE-1891166629 [1,1,0,0,0,0|2,0,0]=4 441 B13R1.674 C=CCCC(O)C1=CC=CC=C1C MCULE-4368292774 [1,1,0,0,0,0|2,0,0]=4 442 B13R1.149 CC(=O)NCCC1=CC=CC(=C1)F MCULE-8308690306 [1,1,0,0,0,0|2,0,0]=4 443 B13R1.149 CC(=O)NCCC1=CC=CC(=C1)O MCULE-3678621841 [1,1,0,0,0,0|2,0,0]=4 444 B13R1.149 CC(=O)OCCC1=CC(=CC=C1)Br MCULE-1560789455 [1,1,0,0,0,0|1,0,0]=3 445 B13R1.149 CC(=O)OCCC1=CC(=CC=C1)C MCULE-5192471480 [1,1,0,0,0,0|1,0,0]=3 446 B13R1.149 CC(=O)OCCC1=CC(=CC=C1)Cl MCULE-5113059319 [1,1,0,0,0,0|1,0,0]=3 447 B13R1.149 CC(=O)OCCC1=CC(=CC=C1)F MCULE-7784494429 [1,1,0,0,0,0|1,0,0]=3 448 B13R1.149 CC(=O)OCCC1=CC(=CC=C1)N MCULE-1745434310 [1,1,0,0,0,0|1,0,0]=3 449 B13R1.149 CC1=CC(=CC=C1)NCCC(=O)N MCULE-5934954614 [1,1,0,0,0,0|2,0,0]=4 450 B13R1.149 CC1=CC=CC(=C1)CCCC(=O)O MCULE-2620152702 [1,1,0,0,0,0|2,0,0]=4 451 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)N MCULE-3603023185 [1,1,0,0,0,0|2,0,0]=4 452 B13R1.149 NC(=O)CSCC1=CC=CC(=C1)Br MCULE-3017936025 [1,1,0,0,0,0|2,0,0]=4 453 B13R1.149 NC(=O)NCCC1=CC=CC(=C1)O MCULE-1054849289 [1,1,0,0,0,0|1,0,0]=3 454 B13R1.149 NC(=O)NOCC1=CC=CC(=C1)Cl MCULE-9625654474 [1,1,0,0,0,0|2,0,0]=4 455 B13R1.149 NC1=CC=CC(=C1)CCCC(=O)O MCULE-5687073694 [1,1,0,0,0,0|2,0,0]=4 456 B13R1.149 NC1=CC=CC(=C1)CCCC(=O)O MCULE-9188705801 [1,1,0,0,0,0|2,0,0]=4 457 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Br MCULE-6168683210 [1,1,0,0,0,0|2,0,0]=4 458 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Cl MCULE-6314143759 [1,1,0,0,0,0|2,0,0]=4 459 B13R1.149 O=C(O)CCCC1=CC=CC(=C1)F MCULE-3630175556 [1,1,0,0,0,0|2,0,0]=4 460 B13R1.158 CC(=O)NCCC1=CC=CC=C1Br MCULE-5213733192 [1,1,0,0,0,0|2,0,0]=4 461 B13R1.158 CC(=O)OCCC1=C(C=CC=C1)C MCULE-9970147954 [1,1,0,0,0,0|1,0,0]=3 462 B13R1.158 CC1=C(C=CC=C1)CCCC(=O)O MCULE-8086754634 [1,1,0,0,0,0|2,0,0]=4 463 B13R1.158 CC1=C(C=CC=C1)CSCC(=O)N MCULE-5201981930 [1,1,0,0,0,0|2,0,0]=4 464 B13R1.158 NC(=O)CCCC1=CC=CC=C1Cl MCULE-9246651590 [1,1,0,0,0,0|1,0,0]=3 465 B13R1.158 NC(=O)CCNC1=C(C=CC=C1)N MCULE-5304706792 [1,1,0,0,0,0|2,0,0]=4 466 B13R1.158 NC(=O)CCNC1=CC=CC=C1N MCULE-9465629675 [1,1,0,0,0,0|2,0,0]=4 467 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)N MCULE-6323548335 [1,1,0,0,0,0|2,0,0]=4 468 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)N MCULE-1644880299 [1,1,0,0,0,0|2,0,0]=4 469 B13R1.158 NC(=O)CSCC1=C(C=CC=C1)Cl MCULE-5955811415 [1,1,0,0,0,0|2,0,0]=4 470 B13R1.158 NC(=O)NOCC1=C(C=CC=C1)F MCULE-3916627543 [1,1,0,0,0,0|2,0,0]=4 471 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O MCULE-4546839548 [1,1,0,0,0,0|2,0,0]=4 472 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O MCULE-8845736053 [1,1,0,0,0,0|2,0,0]=4 473 B13R1.158 O=C(Cl)CCCC1=CC=CC=C1F MCULE-9019321403 [1,1,0,0,0,0|2,0,0]=4 474 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br MCULE-9066386382 [1,1,0,0,0,0|2,0,0]=4 475 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl MCULE-6520890001 [1,1,0,0,0,0|2,0,0]=4 476 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F MCULE-7333605867 [1,1,0,0,0,0|2,0,0]=4 477 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)O MCULE-6061979247 [1,1,0,0,0,0|2,0,0]=4 478 B13R1.348 CC(=O)NC(C)CC1=CC=CC=C1 MCULE-3059651521 [1,1,0,0,0,0|2,0,0]=4 479 B13R1.348 CC(=O)OC(C)CC1=CC=CC=C1 MCULE-8867531707 [1,1,0,0,0,0|1,0,0]=3 480 B13R1.348 CC(CC1=CC=CC=C1)NC(=O)N MCULE-7406787630 [1,1,0,0,0,0|1,0,0]=3 481 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 MCULE-7359277785 [1,1,0,0,0,0|1,0,1]=4 482 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 MCULE-7312149583 [1,1,0,0,0,0|2,0,0]=4 483 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 MCULE-7562642812 [1,1,0,0,0,0|2,0,0]=4 484 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 MCULE-1099480064 [1,1,0,0,0,0|2,0,0]=4 485 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 MCULE-1511536989 [1,1,0,0,0,0|2,0,0]=4 486 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 MCULE-3741596903 [1,1,0,0,0,0|2,0,0]=4 487 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 MCULE-5386657741 [1,1,0,0,0,0|2,0,0]=4 488 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 MCULE-1213190445 [1,1,0,0,0,0|2,0,0]=4 489 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 MCULE-4947387639 [1,1,0,0,0,0|2,0,0]=4 490 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 MCULE-7320146706 [1,1,0,0,0,0|2,0,0]=4 491 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 MCULE-9110835818 [1,1,0,0,0,0|2,0,0]=4 492 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 MCULE-8990071495 [1,1,0,0,0,0|2,0,0]=4 493 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O MCULE-7379407319 [1,1,0,0,0,0|2,0,0]=4 494 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)N MCULE-7966028230 [1,1,0,0,0,0|2,0,0]=4 495 B13R1.351 CN(CCC1=CC=CC=C1)C(=N)N MCULE-5024476941 [1,1,0,0,0,0|2,0,0]=4 496 B13R1.351 CN(CCC1=CC=CC=C1)C(=O)Cl MCULE-6977695659 [1,1,0,0,0,0|2,0,0]=4 497 B13R1.351 NC(=O)C(N)CCC1=CC=CC=C1 MCULE-9732082867 [1,1,0,0,0,0|1,0,0]=3 498 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MCULE-5846714028 [1,1,0,0,0,0|2,0,0]=4 499 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MCULE-6298102909 [1,1,0,0,0,0|2,0,0]=4 500 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MCULE-6801867186 [1,1,0,0,0,0|2,0,0]=4 501 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-4559879821 [1,1,0,0,0,0|2,0,0]=4 502 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-6703664755 [1,1,0,0,0,0|2,0,0]=4 503 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-6919063042 [1,1,0,0,0,0|2,0,0]=4 504 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-8742414639 [1,1,0,0,0,0|2,0,0]=4 505 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-4182463122 [1,1,0,0,0,0|2,0,0]=4 506 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-5087054270 [1,1,0,0,0,0|2,0,0]=4 507 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-7679113471 [1,1,0,0,0,0|2,0,0]=4 508 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-7791619414 [1,1,0,0,0,0|2,0,0]=4 509 B13R1.351 O=C(Cl)C(=O)CCC1=CC=CC=C1 MCULE-8520253494 [1,1,0,0,0,0|2,0,0]=4 510 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 MCULE-5355166420 [1,1,0,0,0,0|2,0,0]=4 511 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 MCULE-5292402211 [1,1,0,0,0,0|2,0,0]=4 512 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 MCULE-4257585560 [1,1,0,0,0,0|2,0,0]=4 513 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 MCULE-5664756838 [1,1,0,0,0,0|2,0,0]=4 514 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 MCULE-5061224318 [1,1,0,0,0,0|2,0,0]=4 515 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 MCULE-8347273271 [1,1,0,0,0,0|2,0,0]=4 516 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 MCULE-2268613096 [1,1,0,0,0,0|2,0,0]=4 517 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 MCULE-9835086512 [1,1,0,0,0,0|2,0,0]=4 518 B13R1.513 CC(=O)CCCC1=CC=C(C=C1)Cl MCULE-3136579961 [1,1,0,0,0,0|2,0,0]=4 519 B13R1.513 CC(=O)NCCC1=CC=C(C=C1)Br MCULE-9721704177 [1,1,0,0,0,0|2,0,0]=4 520 B13R1.513 CC(=O)NCCC1=CC=C(C=C1)F MCULE-1646980432 [1,1,0,0,0,0|2,0,0]=4 521 B13R1.513 CC(=O)NCCC1=CC=C(C=C1)N MCULE-2828641812 [1,1,0,0,0,0|2,0,0]=4 522 B13R1.513 CC(=O)NCCC1=CC=C(C=C1)O MCULE-9894285650 [1,1,0,0,0,0|2,0,0]=4 523 B13R1.513 CC(=O)OCCC1=CC=C(C=C1)Br MCULE-8172712996 [1,1,0,0,0,0|1,0,0]=3 524 B13R1.513 CC(=O)OCCC1=CC=C(C=C1)C MCULE-1494656163 [1,1,0,0,0,0|1,0,0]=3 525 B13R1.513 CC(=O)OCCC1=CC=C(C=C1)Cl MCULE-6834563121 [1,1,0,0,0,0|1,0,0]=3 526 B13R1.513 CC(=O)OCCC1=CC=C(C=C1)F MCULE-4832593262 [1,1,0,0,0,0|1,0,0]=3 527 B13R1.513 CC(=O)OCCC1=CC=C(C=C1)O MCULE-5545902411 [1,1,0,0,0,0|1,0,0]=3 528 B13R1.513 CC(=O)SCCC1=CC=C(C=C1)Br MCULE-1761773441 [1,1,0,0,0,0|1,1,0]=4 529 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)Cl MCULE-2361950342 [1,1,0,0,0,0|2,0,0]=4 530 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O MCULE-9264700102 [1,1,0,0,0,0|2,0,0]=4 531 B13R1.513 CC1=CC=C(C=C1)CONC(=O)N MCULE-5947278976 [1,1,0,0,0,0|2,0,0]=4 532 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)N MCULE-9434397552 [1,1,0,0,0,0|2,0,0]=4 533 B13R1.513 N=C(N)NCCC1=CC=C(C=C1)F MCULE-2777506156 [1,1,0,0,0,0|2,0,0]=4 534 B13R1.513 N=C(N)NCCC1=CC=C(C=C1)F MCULE-5064996321 [1,1,0,0,0,0|2,0,0]=4 535 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)F MCULE-8677295646 [1,1,0,0,0,0|2,0,0]=4 536 B13R1.513 NC(=O)CCOC1=CC=C(C=C1)N MCULE-8752964019 [1,1,0,0,0,0|2,0,0]=4 537 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl MCULE-8432992458 [1,1,0,0,0,0|2,0,0]=4 538 B13R1.513 NC(=O)CNCC1=CC=C(C=C1)Br MCULE-4236748525 [1,1,0,0,0,0|2,0,0]=4 539 B13R1.513 NC(=O)CNCC1=CC=C(C=C1)F MCULE-4036102959 [1,1,0,0,0,0|2,0,0]=4 540 B13R1.513 NC(=O)CNCC1=CC=C(C=C1)F MCULE-5274276559 [1,1,0,0,0,0|2,0,0]=4 541 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Br MCULE-1262316292 [1,1,0,0,0,0|2,0,0]=4 542 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Cl MCULE-6859541782 [1,1,0,0,0,0|2,0,0]=4 543 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)F MCULE-4681418709 [1,1,0,0,0,0|2,0,0]=4 544 B13R1.513 NC(=O)NCCC1=CC=C(C=C1)Br MCULE-8411274035 [1,1,0,0,0,0|1,0,0]=3 545 B13R1.513 NC(=O)NCCC1=CC=C(C=C1)Cl MCULE-5240565199 [1,1,0,0,0,0|1,0,0]=3 546 B13R1.513 NC(=O)NOCC1=CC=C(C=C1)Cl MCULE-7566963267 [1,1,0,0,0,0|2,0,0]=4 547 B13R1.513 NC(=O)NOCC1=CC=C(C=C1)F MCULE-2269133201 [1,1,0,0,0,0|2,0,0]=4 548 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O MCULE-4534927390 [1,1,0,0,0,0|2,0,0]=4 549 B13R1.513 O=C(Cl)CCCC1=CC=C(C=C1)F MCULE-2536853363 [1,1,0,0,0,0|2,0,0]=4 550 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br MCULE-3233980702 [1,1,0,0,0,0|2,0,0]=4 551 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl MCULE-8089882538 [1,1,0,0,0,0|2,0,0]=4 552 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F MCULE-6338279408 [1,1,0,0,0,0|2,0,0]=4 553 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)I MCULE-5120307139 [1,1,0,0,0,0|2,0,0]=4 554 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O MCULE-6084225772 [1,1,0,0,0,0|2,0,0]=4 555 B13R1.718 C=CC(=O)NCCC1=CC=CC=C1 MCULE-8295650206 [1,1,0,0,0,0|2,0,0]=4 556 B13R1.718 C=CC(=O)OCCC1=CC=CC=C1 MCULE-9146556036 [1,1,0,0,0,0|1,0,0]=3 557 B13R1.718 CCC(=O)CCCC1=CC=CC=C1 MCULE-2242431944 [1,1,0,0,0,0|2,0,0]=4 558 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 MCULE-8925021770 [1,1,0,0,0,0|1,0,0]=3 559 B13R1.718 CNC(=O)CCSC1=CC=CC=C1 MCULE-6159086658 [1,1,0,0,0,0|2,0,0]=4 560 B13R1.718 CNC(=O)CNCC1=CC=CC=C1 MCULE-6270610162 [1,1,0,0,0,0|2,0,0]=4 561 B13R1.718 CNC(=O)CNCC1=CC=CC=C1 MCULE-8214235039 [1,1,0,0,0,0|2,0,0]=4 562 B13R1.718 CNC(=O)CSCC1=CC=CC=C1 MCULE-5141296485 [1,1,0,0,0,0|2,0,0]=4 563 B13R1.718 CNC(=O)NCCC1=CC=CC=C1 MCULE-3653492163 [1,1,0,0,0,0|1,0,0]=3 564 B13R1.718 CNC(=O)NCCC1=CC=CC=N1 MCULE-9555474091 [1,1,0,0,0,0|2,0,0]=4 565 B13R1.718 CNC(=O)NCCC1=CC=CN=C1 MCULE-9500552779 [1,1,0,0,0,0|2,0,0]=4 566 B13R1.718 CNC(=O)NCCC1=CC=NC=C1 MCULE-3064717446 [1,1,0,0,0,0|2,0,0]=4 567 B13R1.718 CNC(=S)NCCC1=CC=CC=C1 MCULE-2227307094 [1,1,0,0,0,0|1,1,0]=4 568 B13R1.718 COC(=O)CCCC1=CC=CC=C1 MCULE-8740823394 [1,1,0,0,0,0|2,0,0]=4 569 B13R1.718 COC(=O)NCCC1=CC=CC=C1 MCULE-2703941598 [1,1,0,0,0,0|2,0,0]=4 570 B13R1.718 N/C(=N/O)/CCCC1=CC=CC=C1 MCULE-7271784069 [1,1,0,0,0,0|1,0,1]=4 571 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 MCULE-2814540478 [1,1,0,0,0,0|1,0,0]=3 572 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 MCULE-9380018814 [1,1,0,0,0,0|1,0,0]=3 573 B13R1.718 NNC(=O)CCCC1=CC=CC=C1 MCULE-6264677212 [1,1,0,0,0,0|1,0,0]=3 574 B13R1.718 NNC(=O)CCNC1=CC=CC=C1 MCULE-3119875397 [1,1,0,0,0,0|2,0,0]=4 575 B13R1.718 NNC(=O)CCOC1=CC=CC=C1 MCULE-2392174401 [1,1,0,0,0,0|2,0,0]=4 576 B13R1.718 NNC(=O)CNCC1=CC=CC=C1 MCULE-3252975488 [1,1,0,0,0,0|2,0,0]=4 577 B13R1.718 NNC(=O)COCC1=CC=CC=C1 MCULE-1028474451 [1,1,0,0,0,0|2,0,0]=4 578 B13R1.718 NNC(=O)CSCC1=CC=CC=C1 MCULE-2733782255 [1,1,0,0,0,0|2,0,0]=4 579 B13R1.718 NNC(=O)NCCC1=NC=CC=C1 MCULE-8770803490 [1,1,0,0,0,0|2,0,0]=4 580 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 MCULE-2761253472 [1,1,0,0,0,0|1,1,0]=4 581 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 MCULE-1158034024 [1,1,0,0,0,0|2,0,0]=4 582 B13R1.718 O=C(CCCC1=CC=CC=C1)NO MCULE-9765156954 [1,1,0,0,0,0|1,0,0]=3 583 B13R1.718 O=C(CCOC1=CC=CC=C1)NO MCULE-7323670864 [1,1,0,0,0,0|2,0,0]=4 584 B13R1.718 O=C(CCl)CCCC1=CC=CC=C1 MCULE-4480610944 [1,1,0,0,0,0|2,0,0]=4 585 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 MCULE-9654386086 [1,1,0,0,0,0|2,0,0]=4 586 B13R1.718 O=C(CCl)OCCC1=CC=CC=C1 MCULE-6571272344 [1,1,0,0,0,0|1,0,0]=3 587 B13R1.3523 CS(=O)(=O)OCCC1=CC=CC=C1 MCULE-7716561604 [1,1,0,0,0,0|2,0,0]=4 588 B13R1.3523 NS(=O)(=O)CCCC1=CC=CC=C1 MCULE-7602063101 [1,1,0,0,0,0|2,0,0]=4 589 B13R1.132 CC(CC(=O)N)C1=CC=C(C=C1)N MCULE-9366699241 [0,1,0,0,1,0|1,0,0]=3 590 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br MCULE-2016098947 [0,1,0,0,1,0|2,0,0]=4 591 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl MCULE-2722710140 [0,1,0,0,1,0|2,0,0]=4 592 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)F MCULE-7127297434 [0,1,0,0,1,0|2,0,0]=4 593 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)N MCULE-1218406621 [0,1,0,0,1,0|2,0,0]=4 594 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O MCULE-7578972799 [0,1,0,0,1,0|2,0,0]=4 595 B13R1.132 CC(N)CC(O)C1=CC=C(C=C1)F MCULE-4334145133 [0,1,0,0,1,0|1,0,1]=4 596 B13R1.132 CC(NC(=O)N)C1=CC=C(C=C1)Br MCULE-3481024253 [0,1,0,0,1,0|2,0,0]=4 597 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O MCULE-8428341971 [0,1,0,0,1,0|2,0,0]=4 598 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O MCULE-9173736504 [0,1,0,0,1,0|2,0,0]=4 599 B13R1.132 CC1=CC=C(C=C1)C(O)CC(=O)O MCULE-4624408830 [0,1,0,0,1,0|1,0,0]=3 600 B13R1.132 CC1=CC=C(C=C1)[C@@H](N)CC(=O)O MCULE-5031145088 [0,1,0,0,1,0|2,0,0]=4 601 B13R1.132 CC1=CC=C(C=C1)[C@@H](N)CC(=O)O MCULE-7474694854 [0,1,0,0,1,0|2,0,0]=4 602 B13R1.132 CC1=CC=C(C=C1)[C@H](N)CC(=O)O MCULE-4625661458 [0,1,0,0,1,0|2,0,0]=4 603 B13R1.132 CC1=CC=C(C=C1)[C@H](N)CC(=O)O MCULE-5235266278 [0,1,0,0,1,0|2,0,0]=4 604 B13R1.132 CN(CC(=O)N)C1=CC=C(C=C1)N MCULE-2886552896 [0,1,0,0,1,0|2,0,0]=4 605 B13R1.132 C[C@@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-9711949511 [0,1,0,0,1,0|2,0,0]=4 606 B13R1.132 C[C@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-7731951555 [0,1,0,0,1,0|2,0,0]=4 607 B13R1.132 NC(=O)CC(=O)C1=CC=C(C=C1)F MCULE-4752037713 [0,1,0,0,1,0|0,0,2]=4 608 B13R1.132 NC(=O)CC(N)C1=CC=C(C=C1)F MCULE-5184019737 [0,1,0,0,1,0|1,0,0]=3 609 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br MCULE-2562479227 [0,1,0,0,1,0|2,0,0]=4 610 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br MCULE-3145404080 [0,1,0,0,1,0|2,0,0]=4 611 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br MCULE-4957228775 [0,1,0,0,1,0|2,0,0]=4 612 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br MCULE-6667254725 [0,1,0,0,1,0|2,0,0]=4 613 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Cl MCULE-3615570804 [0,1,0,0,1,0|2,0,0]=4 614 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Cl MCULE-4520940339 [0,1,0,0,1,0|2,0,0]=4 615 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Cl MCULE-9553001923 [0,1,0,0,1,0|2,0,0]=4 616 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)F MCULE-4157411281 [0,1,0,0,1,0|2,0,0]=4 617 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)F MCULE-8698893976 [0,1,0,0,1,0|2,0,0]=4 618 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)O MCULE-8022047792 [0,1,0,0,1,0|2,0,0]=4 619 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-3280690304 [0,1,0,0,1,0|2,0,0]=4 620 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-4585504777 [0,1,0,0,1,0|2,0,0]=4 621 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-6903403380 [0,1,0,0,1,0|2,0,0]=4 622 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-7166549699 [0,1,0,0,1,0|2,0,0]=4 623 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Cl MCULE-4628099540 [0,1,0,0,1,0|2,0,0]=4 624 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Cl MCULE-5508958389 [0,1,0,0,1,0|2,0,0]=4 625 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Cl MCULE-7286983486 [0,1,0,0,1,0|2,0,0]=4 626 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Cl MCULE-7838291156 [0,1,0,0,1,0|2,0,0]=4 627 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-1061728753 [0,1,0,0,1,0|2,0,0]=4 628 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-6327368529 [0,1,0,0,1,0|2,0,0]=4 629 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-6947859998 [0,1,0,0,1,0|2,0,0]=4 630 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-7945509136 [0,1,0,0,1,0|2,0,0]=4 631 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)O MCULE-2907878626 [0,1,0,0,1,0|2,0,0]=4 632 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)O MCULE-6136594346 [0,1,0,0,1,0|2,0,0]=4 633 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)O MCULE-8247287459 [0,1,0,0,1,0|2,0,0]=4 634 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-2112390316 [0,1,0,0,1,0|2,0,0]=4 635 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-2269294845 [0,1,0,0,1,0|2,0,0]=4 636 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-6481937572 [0,1,0,0,1,0|2,0,0]=4 637 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-8905067487 [0,1,0,0,1,0|2,0,0]=4 638 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)Cl MCULE-2038848679 [0,1,0,0,1,0|2,0,0]=4 639 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)Cl MCULE-4123634292 [0,1,0,0,1,0|2,0,0]=4 640 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-2375735241 [0,1,0,0,1,0|2,0,0]=4 641 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-5721879123 [0,1,0,0,1,0|2,0,0]=4 642 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)O MCULE-4604116690 [0,1,0,0,1,0|2,0,0]=4 643 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)O MCULE-7232618432 [0,1,0,0,1,0|2,0,0]=4 644 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)Cl MCULE-2786363573 [0,1,0,0,1,0|1,0,0]=3 645 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)F MCULE-7115171473 [0,1,0,0,1,0|1,0,0]=3 646 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)O MCULE-7634229278 [0,1,0,0,1,0|1,0,0]=3 647 B13R1.147 CC(CC(=O)O)C1=CC(=CC=C1)Br MCULE-1858718044 [0,1,0,0,1,0|2,0,0]=4 648 B13R1.147 CC(CC(=O)O)C1=CC(=CC=C1)Cl MCULE-3850219104 [0,1,0,0,1,0|2,0,0]=4 649 B13R1.147 CC(CC(=O)O)C1=CC(=CC=C1)F MCULE-4690317270 [0,1,0,0,1,0|2,0,0]=4 650 B13R1.147 CC(CC(=O)O)C1=CC=CC(=C1)O MCULE-3350719612 [0,1,0,0,1,0|2,0,0]=4 651 B13R1.147 CC(NC(=O)N)C1=CC(=CC=C1)Br MCULE-1453869407 [0,1,0,0,1,0|2,0,0]=4 652 B13R1.147 CC1=CC(=CC=C1)C(N)CC(=O)O MCULE-6651051129 [0,1,0,0,1,0|2,0,0]=4 653 B13R1.147 CC1=CC(=CC=C1)[C@@H](N)CC(=O)O MCULE-2104912512 [0,1,0,0,1,0|2,0,0]=4 654 B13R1.147 CC1=CC(=CC=C1)[C@@H](N)CC(=O)O MCULE-7283565297 [0,1,0,0,1,0|2,0,0]=4 655 B13R1.147 CC1=CC=CC(=C1)[C@H](N)CC(=O)O MCULE-1258228769 [0,1,0,0,1,0|2,0,0]=4 656 B13R1.147 CC1=CC=CC(=C1)[C@H](N)CC(=O)O MCULE-9012059566 [0,1,0,0,1,0|2,0,0]=4 657 B13R1.147 NC(=O)C[C@H](N)C1=CC(=CC=C1)Cl MCULE-9471723979 [0,1,0,0,1,0|1,0,0]=3 658 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Br MCULE-2130613813 [0,1,0,0,1,0|2,0,0]=4 659 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Cl MCULE-3279923328 [0,1,0,0,1,0|2,0,0]=4 660 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Cl MCULE-3483759907 [0,1,0,0,1,0|2,0,0]=4 661 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)F MCULE-5468189663 [0,1,0,0,1,0|2,0,0]=4 662 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)F MCULE-5944373590 [0,1,0,0,1,0|2,0,0]=4 663 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)I MCULE-2719207128 [0,1,0,0,1,0|2,0,0]=4 664 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)O MCULE-1755994558 [0,1,0,0,1,0|2,0,0]=4 665 B13R1.147 NC(CC(=O)O)C1=CC=CC(=C1)F MCULE-3694211923 [0,1,0,0,1,0|2,0,0]=4 666 B13R1.147 NC1=CC=CC(=C1)C(N)CC(=O)O MCULE-6735304032 [0,1,0,0,1,0|2,0,0]=4 667 B13R1.147 N[C@@H](CC(=O)O)C1=CC(=CC=C1)Br MCULE-1369109617 [0,1,0,0,1,0|2,0,0]=4 668 B13R1.147 N[C@@H](CC(=O)O)C1=CC(=CC=C1)Cl MCULE-7437610192 [0,1,0,0,1,0|2,0,0]=4 669 B13R1.147 N[C@@H](CC(=O)O)C1=CC(=CC=C1)F MCULE-1515972712 [0,1,0,0,1,0|2,0,0]=4 670 B13R1.147 N[C@@H](CC(=O)O)C1=CC(=CC=C1)F MCULE-8670924100 [0,1,0,0,1,0|2,0,0]=4 671 B13R1.147 N[C@@H](CC(=O)O)C1=CC(=CC=C1)O MCULE-4376328862 [0,1,0,0,1,0|2,0,0]=4 672 B13R1.147 N[C@@H](CC(=O)O)C1=CC(=CC=C1)O MCULE-9637770589 [0,1,0,0,1,0|2,0,0]=4 673 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)Br MCULE-9855646135 [0,1,0,0,1,0|2,0,0]=4 674 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)Cl MCULE-9708240527 [0,1,0,0,1,0|2,0,0]=4 675 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)F MCULE-6272898167 [0,1,0,0,1,0|2,0,0]=4 676 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)F MCULE-7595394286 [0,1,0,0,1,0|2,0,0]=4 677 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)I MCULE-5328947539 [0,1,0,0,1,0|2,0,0]=4 678 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)I MCULE-7570820212 [0,1,0,0,1,0|2,0,0]=4 679 B13R1.147 N[C@H](CC(=O)O)C1=CC(=CC=C1)Br MCULE-5270125712 [0,1,0,0,1,0|2,0,0]=4 680 B13R1.147 N[C@H](CC(=O)O)C1=CC(=CC=C1)Cl MCULE-7687982810 [0,1,0,0,1,0|2,0,0]=4 681 B13R1.147 N[C@H](CC(=O)O)C1=CC(=CC=C1)F MCULE-1302961309 [0,1,0,0,1,0|2,0,0]=4 682 B13R1.147 N[C@H](CC(=O)O)C1=CC(=CC=C1)O MCULE-5347433444 [0,1,0,0,1,0|2,0,0]=4 683 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(=C1)Br MCULE-6372478159 [0,1,0,0,1,0|2,0,0]=4 684 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(=C1)Cl MCULE-5185136691 [0,1,0,0,1,0|2,0,0]=4 685 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(=C1)F MCULE-1224815118 [0,1,0,0,1,0|2,0,0]=4 686 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(=C1)F MCULE-7507542498 [0,1,0,0,1,0|2,0,0]=4 687 B13R1.147 O=C(O)CC(O)C1=CC(=CC=C1)F MCULE-5027650210 [0,1,0,0,1,0|1,0,0]=3 688 B13R1.147 O=C(O)CC(O)C1=CC=CC(=C1)Cl MCULE-1318536807 [0,1,0,0,1,0|1,0,0]=3 689 B13R1.147 O=C(O)CC(O)C1=CC=CC(=C1)O MCULE-5848476031 [0,1,0,0,1,0|1,0,0]=3 690 B13R1.147 O=C(O)C[C@@H](O)C1=CC(=CC=C1)Cl MCULE-6161804269 [0,1,0,0,1,0|1,0,0]=3 691 B13R1.147 O=C(O)C[C@@H](O)C1=CC=CC(=C1)Cl MCULE-8606776028 [0,1,0,0,1,0|1,0,0]=3 692 B13R1.147 O=C(O)C[C@H](O)C1=CC(=CC=C1)Cl MCULE-1125186678 [0,1,0,0,1,0|1,0,0]=3 693 B13R1.147 O=C(O)C[C@H](O)C1=CC(=CC=C1)Cl MCULE-8247907524 [0,1,0,0,1,0|1,0,0]=3 694 B13R1.152 C=C(C(=O)C)C(O)C1=CC=CC=C1 MCULE-4317786730 [0,1,0,0,1,0|1,0,1]=4 695 B13R1.152 CC(=O)C(Br)C(Br)C1=CC=CC=C1 MCULE-2570418458 [0,1,0,0,1,0|2,0,0]=4 696 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 MCULE-4471810169 [0,1,0,0,1,0|2,0,0]=4 697 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 MCULE-9697052753 [0,1,0,0,1,0|2,0,0]=4 698 B13R1.152 CC(C(O)C1=CC=CC=C1)N(=O)=O MCULE-5689771313 [0,1,0,0,1,0|2,0,0]=4 699 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N MCULE-2624287617 [0,1,0,0,1,0|1,0,0]=3 700 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N MCULE-9151101030 [0,1,0,0,1,0|1,0,0]=3 701 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O MCULE-8491955673 [0,1,0,0,1,0|2,0,0]=4 702 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O MCULE-9701727761 [0,1,0,0,1,0|2,0,0]=4 703 B13R1.152 CC(C1=CC=CC=C1)C(O)C(=O)O MCULE-2096048463 [0,1,0,0,1,0|2,0,0]=4 704 B13R1.152 CC(C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-5202341879 [0,1,0,0,1,0|2,0,0]=4 705 B13R1.152 CC(N)C(N)C(O)C1=CC=CC=C1 MCULE-5834757683 [0,1,0,0,1,0|1,0,1]=4 706 B13R1.152 CC(N)C(N)C(O)C1=CC=CC=C1 MCULE-8230861177 [0,1,0,0,1,0|1,0,1]=4 707 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-3296564620 [0,1,0,0,1,0|2,0,0]=4 708 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-5770222064 [0,1,0,0,1,0|2,0,0]=4 709 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-8614292304 [0,1,0,0,1,0|2,0,0]=4 710 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-8697326618 [0,1,0,0,1,0|2,0,0]=4 711 B13R1.152 C[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 MCULE-5479131562 [0,1,0,0,1,0|1,0,0]=3 712 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-8687654257 [0,1,0,0,1,0|2,0,0]=4 713 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-9499293392 [0,1,0,0,1,0|2,0,0]=4 714 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-1845048066 [0,1,0,0,1,0|2,0,0]=4 715 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-9752844525 [0,1,0,0,1,0|2,0,0]=4 716 B13R1.152 NC(C(=O)O)C(Cl)C1=CC=CC=C1 MCULE-2618772778 [0,1,0,0,1,0|2,0,0]=4 717 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 MCULE-3348967519 [0,1,0,0,1,0|1,0,0]=3 718 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 MCULE-4051921601 [0,1,0,0,1,0|1,0,0]=3 719 B13R1.152 NC(C(=O)O)C(O)C1=CN=CC=C1 MCULE-5411267363 [0,1,0,0,1,0|2,0,0]=4 720 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O MCULE-2719281342 [0,1,0,0,1,0|2,0,0]=4 721 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O MCULE-5123619879 [0,1,0,0,1,0|2,0,0]=4 722 B13R1.152 N[C@@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 MCULE-6532492719 [0,1,0,0,1,0|1,0,0]=3 723 B13R1.152 N[C@@H](C(=O)O)[C@H](O)C1=CC=CC=C1 MCULE-7686375522 [0,1,0,0,1,0|1,0,0]=3 724 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-2183846050 [0,1,0,0,1,0|2,0,0]=4 725 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-3688029768 [0,1,0,0,1,0|2,0,0]=4 726 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-3819078710 [0,1,0,0,1,0|2,0,0]=4 727 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-5219240474 [0,1,0,0,1,0|2,0,0]=4 728 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-6868554139 [0,1,0,0,1,0|2,0,0]=4 729 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-7992078018 [0,1,0,0,1,0|2,0,0]=4 730 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@H](O)C(=O)O MCULE-9060327137 [0,1,0,0,1,0|2,0,0]=4 731 B13R1.152 N[C@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 MCULE-3533562532 [0,1,0,0,1,0|1,0,0]=3 732 B13R1.152 N[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 MCULE-7276106585 [0,1,0,0,1,0|1,0,0]=3 733 B13R1.152 N[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 MCULE-7798579567 [0,1,0,0,1,0|1,0,0]=3 734 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-3650949263 [0,1,0,0,1,0|2,0,0]=4 735 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-8610185053 [0,1,0,0,1,0|2,0,0]=4 736 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O MCULE-5142392737 [0,1,0,0,1,0|2,0,0]=4 737 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 MCULE-2104980401 [0,1,0,0,1,0|2,0,0]=4 738 B13R1.152 O=C(O)C(O)C(O)C1=CC=CC=C1 MCULE-7246952508 [0,1,0,0,1,0|1,0,0]=3 739 B13R1.152 [C@@H](N)(C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-4071607168 [0,1,0,0,1,0|2,0,0]=4 740 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)Br MCULE-5346134558 [0,1,0,0,1,0|2,0,0]=4 741 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)Cl MCULE-6381795911 [0,1,0,0,1,0|2,0,0]=4 742 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)F MCULE-9853096824 [0,1,0,0,1,0|2,0,0]=4 743 B13R1.201 CC1=C(C=CC=C1)C(C)CC(=O)O MCULE-1940027299 [0,1,0,0,1,0|2,0,0]=4 744 B13R1.201 CC1=C(C=CC=C1)C(N)CC(=O)O MCULE-3857105495 [0,1,0,0,1,0|2,0,0]=4 745 B13R1.201 CC1=C(C=CC=C1)C(N)CC(=O)O MCULE-8413444787 [0,1,0,0,1,0|2,0,0]=4 746 B13R1.201 CC1=C(C=CC=C1)[C@@H](N)CC(=O)O MCULE-3601172192 [0,1,0,0,1,0|2,0,0]=4 747 B13R1.201 CC1=C(C=CC=C1)[C@@H](N)CC(=O)O MCULE-6049562326 [0,1,0,0,1,0|2,0,0]=4 748 B13R1.201 CC1=CC=CC=C1C(O)CC(=O)O MCULE-4101559300 [0,1,0,0,1,0|1,0,0]=3 749 B13R1.201 CC1=CC=CC=C1[C@@H](N)CC(=O)O MCULE-1733307768 [0,1,0,0,1,0|2,0,0]=4 750 B13R1.201 CC1=CC=CC=C1[C@@H](N)CC(=O)O MCULE-9693068609 [0,1,0,0,1,0|2,0,0]=4 751 B13R1.201 CC1=CC=CC=C1[C@H](N)CC(=O)O MCULE-3290294040 [0,1,0,0,1,0|2,0,0]=4 752 B13R1.201 CC1=CC=CC=C1[C@H](N)CC(=O)O MCULE-9561799195 [0,1,0,0,1,0|2,0,0]=4 753 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)Cl MCULE-6871814675 [0,1,0,0,1,0|2,0,0]=4 754 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)F MCULE-8493662538 [0,1,0,0,1,0|2,0,0]=4 755 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)I MCULE-4417945438 [0,1,0,0,1,0|2,0,0]=4 756 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)O MCULE-3137402305 [0,1,0,0,1,0|2,0,0]=4 757 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br MCULE-1406006969 [0,1,0,0,1,0|2,0,0]=4 758 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl MCULE-9668686300 [0,1,0,0,1,0|2,0,0]=4 759 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1O MCULE-4239540894 [0,1,0,0,1,0|2,0,0]=4 760 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Br MCULE-7220804757 [0,1,0,0,1,0|2,0,0]=4 761 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Br MCULE-9590414534 [0,1,0,0,1,0|2,0,0]=4 762 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Cl MCULE-4469915688 [0,1,0,0,1,0|2,0,0]=4 763 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Cl MCULE-5664240919 [0,1,0,0,1,0|2,0,0]=4 764 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Cl MCULE-9832661970 [0,1,0,0,1,0|2,0,0]=4 765 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1F MCULE-2384747150 [0,1,0,0,1,0|2,0,0]=4 766 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1F MCULE-5490656771 [0,1,0,0,1,0|2,0,0]=4 767 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1O MCULE-2620729398 [0,1,0,0,1,0|2,0,0]=4 768 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1O MCULE-2656571420 [0,1,0,0,1,0|2,0,0]=4 769 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1O MCULE-4322632726 [0,1,0,0,1,0|2,0,0]=4 770 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1O MCULE-8993392147 [0,1,0,0,1,0|2,0,0]=4 771 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1Br MCULE-3525799799 [0,1,0,0,1,0|2,0,0]=4 772 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1Br MCULE-6236115781 [0,1,0,0,1,0|2,0,0]=4 773 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1Cl MCULE-5036741280 [0,1,0,0,1,0|2,0,0]=4 774 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1Cl MCULE-5834515363 [0,1,0,0,1,0|2,0,0]=4 775 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1F MCULE-9123726609 [0,1,0,0,1,0|2,0,0]=4 776 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1F MCULE-9436072511 [0,1,0,0,1,0|2,0,0]=4 777 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1O MCULE-1572169056 [0,1,0,0,1,0|2,0,0]=4 778 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1O MCULE-5924484826 [0,1,0,0,1,0|2,0,0]=4 779 B13R1.201 O=C(O)CC(O)C1=CC=CC=C1Cl MCULE-8252179218 [0,1,0,0,1,0|1,0,0]=3 780 B13R1.201 O=C(O)CC(O)C1=CC=CC=C1F MCULE-6216788990 [0,1,0,0,1,0|1,0,0]=3 781 B13R1.347 CC(=O)CC(C)(C)C1=CC=CC=C1 MCULE-6301746737 [0,1,0,0,1,0|2,0,0]=4 782 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 MCULE-9200646630 [0,1,0,0,1,0|2,0,0]=4 783 B13R1.347 CC(O)(CC(=O)O)C1=CC=CC=C1 MCULE-3588195362 [0,1,0,0,1,0|1,0,0]=3 784 B13R1.347 NC(=O)CS(=O)(=O)C1=CC=CC=C1 MCULE-2423738605 [0,1,0,0,1,0|1,0,1]=4 785 B13R1.347 O=C(O)CC(F)(F)C1=CC=CC=C1 MCULE-4452831835 [0,1,0,0,1,0|2,0,0]=4 786 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 MCULE-3984536969 [0,1,0,0,1,0|2,0,0]=4 787 B13R1.713 C#CC(OC(=O)N)C1=CC=CC=C1 MCULE-4402464094 [0,1,0,0,1,0|1,0,0]=3 788 B13R1.713 C#C[C@@H](OC(=O)C)C1=CC=CC=C1 MCULE-2670935979 [0,1,0,0,1,0|2,0,0]=4 789 B13R1.713 C=CC(CC(=O)O)C1=CC=CC=C1 MCULE-2960833071 [0,1,0,0,1,0|2,0,0]=4 790 B13R1.713 C=CC(OC(=O)C)C1=CC=CC=C1 MCULE-5504485886 [0,1,0,0,1,0|2,0,0]=4 791 B13R1.713 CC(=O)CC(C#N)C1=CC=CC=C1 MCULE-3677319677 [0,1,0,0,1,0|2,0,0]=4 792 B13R1.713 CC(=O)NC(CO)C1=CC=CC=C1 MCULE-5408454034 [0,1,0,0,1,0|2,0,0]=4 793 B13R1.713 CC(=O)N[C@@H](CO)C1=CC=CC=C1 MCULE-3906807957 [0,1,0,0,1,0|2,0,0]=4 794 B13R1.713 CC(=O)N[C@@H](CO)C1=CC=CC=C1 MCULE-9415047708 [0,1,0,0,1,0|2,0,0]=4 795 B13R1.713 CC(=O)OC(C#N)C1=CC=CC=C1 MCULE-7270963457 [0,1,0,0,1,0|2,0,0]=4 796 B13R1.713 CC(=O)OC(CN)C1=CC=CC=C1 MCULE-1543627232 [0,1,0,0,1,0|2,0,0]=4 797 B13R1.713 CC(=O)OC(CN)C1=CC=CC=C1 MCULE-3014376389 [0,1,0,0,1,0|2,0,0]=4 798 B13R1.713 CCC(CC(=O)O)C1=CC=CC=C1 MCULE-9613424558 [0,1,0,0,1,0|2,0,0]=4 799 B13R1.713 CNC(CC(=O)N)C1=CC=CC=C1 MCULE-1554236816 [0,1,0,0,1,0|1,0,0]=3 800 B13R1.713 CNC(CC(=O)N)C1=CC=CC=C1 MCULE-6107650661 [0,1,0,0,1,0|1,0,0]=3 801 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 MCULE-4458219577 [0,1,0,0,1,0|2,0,0]=4 802 B13R1.713 N#CC(CC(=O)O)C1=CC=CC=C1 MCULE-5709932409 [0,1,0,0,1,0|2,0,0]=4 803 B13R1.713 N#CC(NC(=O)N)C1=CC=CC=C1 MCULE-5488835904 [0,1,0,0,1,0|2,0,0]=4 804 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 MCULE-5816217249 [0,1,0,0,1,0|2,0,0]=4 805 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 MCULE-9862731096 [0,1,0,0,1,0|2,0,0]=4 806 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-1505990193 [0,1,0,0,1,0|2,0,0]=4 807 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-6190546623 [0,1,0,0,1,0|2,0,0]=4 808 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-8069604431 [0,1,0,0,1,0|2,0,0]=4 809 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-9461364099 [0,1,0,0,1,0|2,0,0]=4 810 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-3726907829 [0,1,0,0,1,0|2,0,0]=4 811 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-4517880361 [0,1,0,0,1,0|2,0,0]=4 812 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-7915129742 [0,1,0,0,1,0|2,0,0]=4 813 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-9847907661 [0,1,0,0,1,0|2,0,0]=4 814 B13R1.713 O=C(O)CC(NO)C1=CC=CC=C1 MCULE-5708650927 [0,1,0,0,1,0|1,0,0]=3 815 B13R1.713 O=C([O-])CC(CO)C1=CC=CC=C1 MCULE-2707104625 [0,1,0,0,1,0|1,0,0]=3 816 B13R1.713 O=C([O-])CC(CO)C1=CC=CC=C1 MCULE-7653993634 [0,1,0,0,1,0|1,0,0]=3 817 B15R1.882 O=C(O)CCC[C@H](O)C1=CC=C(C=C1)F MCULE-8383583991 [0,1,0,0,0,1|2,0,0]=4 818 B15R1.882 O=C([O-])CCC[C@H](O)C1=CC=C(C=C1)F MCULE-4018741307 [0,1,0,0,0,1|2,0,0]=4 819 B15R1.959 C(C)(NCCC(=O)NC)C1=CC=CC=C1 MCULE-1832035046 [0,1,0,0,0,1|2,0,0]=4 820 B15R1.959 CC(NCCC(=O)NN)C1=CC=CC=C1 MCULE-6476538717 [0,1,0,0,0,1|2,0,0]=4 821 B15R1.959 O=C(CCl)NCCC(O)C1=CC=CC=C1 MCULE-5127829917 [0,1,0,0,0,1|2,0,0]=4 822 B15R1.5331 COC(CNCC(=O)N)C1=CC=CC=C1 MCULE-6732746334 [0,1,0,0,0,1|1,0,0]=3 823 B15R1.5331 COC(CNCC(=O)O)C1=CC=CC=C1 MCULE-6514208604 [0,1,0,0,0,1|2,0,0]=4 824 B15R1.964 COC(=O)NCC(O)CC1=CC=CC=C1 MCULE-3187152186 [0,1,0,0,0,1|2,0,0]=4 825 B15R1.4008 CC(=O)OCC(CO)CC1=CC=CC=C1 MCULE-3939279019 [0,1,0,0,0,1|1,0,0]=3 826 B15R1.8272 NC(CC(O)C1=CC(=CC=C1)O)C(=O)O MCULE-2261641707 [0,2,0,0,0,0|2,0,0]=4 827 B15R1.8272 NC(CC(O)C1=CC=CC(=C1)O)C(=O)O MCULE-9822299439 [0,2,0,0,0,0|2,0,0]=4 828 B15R1.5822 CC1=CC(=C(C=C1)C(O)CCC(=O)O)C MCULE-6472511326 [0,2,0,0,0,0|2,0,0]=4 829 B15R1.10019 COC(CNC(=O)C)C1=CC=CC=C1Cl MCULE-1643687611 [0,2,0,0,0,0|2,0,0]=4 830 B15R1.89 CCOC(=O)CCC(O)C1=CC=CC=C1 MCULE-5570753875 [0,2,0,0,0,0|2,0,0]=4 831 B15R1.132 CC1=CC=C(C=C1)C(O)CNC(=O)CCl MCULE-4041378162 [0,2,0,0,0,0|2,0,0]=4 832 B15R1.1097 O=C(CCl)NCC(CO)C1=CC=CC=C1 MCULE-9328234931 [0,2,0,0,0,0|2,0,0]=4 833 B15R1.12293 CC(=O)C(CCC(=O)N)C1=CC=CC=C1 MCULE-1479666811 [0,2,0,0,0,0|1,0,1]=4 834 B15R1.12293 CC(=O)OCC(C(=O)O)C1=CC=CC=C1 MCULE-7325465917 [0,2,0,0,0,0|1,0,0]=3 835 B15R1.13394 CCC(O)(COC(=O)N)C1=CC=CC=C1 MCULE-7651703819 [0,2,0,0,0,0|0,0,0]=2 836 B15R1.5 COC1=CC=C(C=C1)C(O)CCC(=O)O MCULE-4241080731 [0,2,0,0,0,0|2,0,0]=4 837 B13R2.10 NC1=NC(CC1)C2=CC=CC=C2 MCULE-6316561109 [1,0,0,1,0,0|2,0,0]=4 838 B13R2.10 NC1=NC(CS1)C2=CC=CC=C2 MCULE-6223280688 [1,0,0,1,0,0|1,1,0]=4 839 B13R2.10 NC1=NCC(O1)C2=CC=CC=C2 MCULE-3553482246 [1,0,0,1,0,0|1,0,0]=3 840 B13R2.10 O=C1CC(CN1)C2=CC=CC=C2 MCULE-4630950069 [1,0,0,1,0,0|2,0,0]=4 841 B13R2.10 O=C1CC(CO1)C2=CC=CC=C2 MCULE-9067786286 [1,0,0,1,0,0|1,0,0]=3 842 B13R2.10 O=C1CCC(C1)C2=CC=CC=C2 MCULE-4427115430 [1,0,0,1,0,0|2,0,0]=4 843 B13R2.10 O=C1CCC(N1)C2=CC=CC=C2 MCULE-7282815024 [1,0,0,1,0,0|2,0,0]=4 844 B13R2.10 O=C1CCC(O1)C2=CC=CC=C2 MCULE-6101647211 [1,0,0,1,0,0|1,0,0]=3 845 B13R2.10 O=C1CC[C@@H](C1)C2=CC=CC=C2 MCULE-7086920022 [1,0,0,1,0,0|2,0,0]=4 846 B13R2.10 O=C1CC[C@@H](N1)C2=CC=CC=C2 MCULE-6889580149 [1,0,0,1,0,0|2,0,0]=4 847 B13R2.10 O=C1CC[C@@H](N1)C2=CC=CC=C2 MCULE-9790800829 [1,0,0,1,0,0|2,0,0]=4 848 B13R2.10 O=C1CC[C@H](C1)C2=CC=CC=C2 MCULE-6855815517 [1,0,0,1,0,0|2,0,0]=4 849 B13R2.10 O=C1CC[C@H](C1)C2=CC=CC=C2 MCULE-9485418233 [1,0,0,1,0,0|2,0,0]=4 850 B13R2.10 O=C1CC[C@H](N1)C2=CC=CC=C2 MCULE-7025551195 [1,0,0,1,0,0|2,0,0]=4 851 B13R2.10 O=C1CC[C@H](N1)C2=CC=CC=C2 MCULE-9391776347 [1,0,0,1,0,0|2,0,0]=4 852 B13R2.10 O=C1CSC(O1)C2=CC=CC=C2 MCULE-7084855936 [1,0,0,1,0,0|2,0,0]=4 853 B13R2.10 O=C1C[C@@H](CN1)C2=CC=CC=C2 MCULE-4537200484 [1,0,0,1,0,0|2,0,0]=4 854 B13R2.10 O=C1C[C@H](CN1)C2=CC=CC=C2 MCULE-1458391237 [1,0,0,1,0,0|2,0,0]=4 855 B13R2.10 O=C1C[C@H](CN1)C2=CC=CC=C2 MCULE-4334775779 [1,0,0,1,0,0|2,0,0]=4 856 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 MCULE-4391857031 [1,0,0,1,0,0|1,0,0]=3 857 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 MCULE-8267120160 [1,0,0,1,0,0|1,0,0]=3 858 B13R2.10 O=C1NC(CS1)C2=CC=CC=C2 MCULE-4673928815 [1,0,0,1,0,0|1,1,0]=4 859 B13R2.10 O=C1NCC(O1)C2=CC=CC=C2 MCULE-8680093536 [1,0,0,1,0,0|1,0,0]=3 860 B13R2.10 O=C1NC[C@@H](N1)C2=CC=CC=C2 MCULE-3540473243 [1,0,0,1,0,0|2,0,0]=4 861 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 MCULE-8279914603 [1,0,0,1,0,0|1,0,0]=3 862 B13R2.10 O=C1NC[C@H](N1)C2=CC=CC=C2 MCULE-5121393780 [1,0,0,1,0,0|2,0,0]=4 863 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 MCULE-3530929459 [1,0,0,1,0,0|1,0,0]=3 864 B13R2.10 O=C1N[C@@H](CO1)C2=CC=CC=C2 MCULE-3006593979 [1,0,0,1,0,0|1,0,0]=3 865 B13R2.10 O=C1N[C@@H](CO1)C2=CC=CC=C2 MCULE-3834164513 [1,0,0,1,0,0|1,0,0]=3 866 B13R2.10 O=C1N[C@@H](CO1)C2=CC=CC=C2 MCULE-6907605886 [1,0,0,1,0,0|1,0,0]=3 867 B13R2.10 O=C1N[C@@H](CO1)C2=CC=CN=C2 MCULE-6354528196 [1,0,0,1,0,0|2,0,0]=4 868 B13R2.10 O=C1N[C@@H](CO1)C2=CC=NC=C2 MCULE-7941527308 [1,0,0,1,0,0|2,0,0]=4 869 B13R2.10 O=C1N[C@@H](CO1)C2=NC=CC=C2 MCULE-5735777541 [1,0,0,1,0,0|2,0,0]=4 870 B13R2.10 O=C1N[C@@H](CS1)C2=CC=CC=C2 MCULE-5149657860 [1,0,0,1,0,0|1,1,0]=4 871 B13R2.10 O=C1N[C@H](CO1)C2=CC=CC=C2 MCULE-2481839329 [1,0,0,1,0,0|1,0,0]=3 872 B13R2.10 O=C1N[C@H](CO1)C2=CC=CC=C2 MCULE-4076425150 [1,0,0,1,0,0|1,0,0]=3 873 B13R2.10 O=C1N[C@H](CO1)C2=CC=CC=C2 MCULE-8799971945 [1,0,0,1,0,0|1,0,0]=3 874 B13R2.10 O=C1N[C@H](CO1)C2=CC=CN=C2 MCULE-9985108878 [1,0,0,1,0,0|2,0,0]=4 875 B13R2.10 O=C1N[C@H](CO1)C2=CC=NC=C2 MCULE-6437728965 [1,0,0,1,0,0|2,0,0]=4 876 B13R2.10 O=C1N[C@H](CO1)C2=NC=CC=C2 MCULE-3295857444 [1,0,0,1,0,0|2,0,0]=4 877 B13R2.10 O=C1OCC(O1)C2=CC=CC=C2 MCULE-1457949336 [1,0,0,1,0,0|0,0,0]=2 878 B13R2.10 O=C1ON=C(O1)C2=CC=CC=C2 MCULE-3618263908 [1,0,0,1,0,0|1,0,1]=4 879 B13R2.10 S=C1NC(CO1)C2=CC=CC=C2 MCULE-6920720543 [1,0,0,1,0,0|1,1,0]=4 880 B13R2.10 S=C1N[C@@H](CO1)C2=CC=CC=C2 MCULE-4125486863 [1,0,0,1,0,0|1,1,0]=4 881 B13R2.10 S=C1N[C@@H](CO1)C2=CC=CC=C2 MCULE-4866796368 [1,0,0,1,0,0|1,1,0]=4 882 B13R2.10 S=C1N[C@H](CO1)C2=CC=CC=C2 MCULE-3263848209 [1,0,0,1,0,0|1,1,0]=4 883 B13R2.10 S=C1N[C@H](CO1)C2=CC=CC=C2 MCULE-9987911820 [1,0,0,1,0,0|1,1,0]=4 884 B13R2.10 [C@H]1(CNC(=O)O1)C2=CC=CC=C2 MCULE-1949587108 [1,0,0,1,0,0|1,0,0]=3 885 B13R2.52 O=CC1CC(C1)C2=CC=CC=C2 MCULE-8957377860 [1,0,0,1,0,0|2,0,0]=4 886 B13R2.223 OC1(CCOC1)C2=CC=CC=C2 MCULE-5555950583 [1,0,0,1,0,0|1,0,1]=4 887 B13R2.371 C=C1COC(=O)C2=CC=CC=C12 MCULE-8866219753 [1,0,0,1,0,0|1,0,1]=4 888 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 MCULE-2148891680 [1,0,0,1,0,0|2,0,0]=4 889 B13R2.371 CC1CNC(=O)C2=C1C=CC=C2 MCULE-2584469542 [1,0,0,1,0,0|2,0,0]=4 890 B13R2.371 NC1CCC(=O)C2=C1C=CC=C2 MCULE-2119508713 [1,0,0,1,0,0|2,0,0]=4 891 B13R2.371 NC1CCC(=O)C2=C1C=CC=C2 MCULE-7479974810 [1,0,0,1,0,0|2,0,0]=4 892 B13R2.371 O=C1CCC(C2=C1C=CC=C2)Br MCULE-6346893760 [1,0,0,1,0,0|2,0,0]=4 893 B13R2.371 O=C1CCC(C2=C1C=CC=C2)O MCULE-5111977249 [1,0,0,1,0,0|1,0,0]=3 894 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 MCULE-9148401423 [1,0,0,1,0,0|0,0,2]=4 895 B13R2.371 O=C1OCC(C2=C1C=CC=C2)Br MCULE-9188736915 [1,0,0,1,0,0|1,0,0]=3 896 B13R2.5252 OC1CCCNC2=C1C=CC=C2 MCULE-5068390707 [1,0,0,1,0,0|1,0,1]=4 897 B13R2.31 O=C1CC(C1)CC2=CC=CC=C2 MCULE-1152071589 [1,0,0,1,0,0|2,0,0]=4 898 B13R2.31 O=C1CC(N1)CC2=CC=CC=C2 MCULE-7067577200 [1,0,0,1,0,0|1,0,0]=3 899 B13R2.31 O=C1CC(N1)SC2=CC=CC=C2 MCULE-7145183994 [1,0,0,1,0,0|2,0,0]=4 900 B13R2.31 O=C1CC(N1)[Se]C2=CC=CC=C2 MCULE-5317894563 [1,0,0,1,0,0|2,0,0]=4 901 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 MCULE-9846776174 [1,0,0,1,0,0|2,0,0]=4 902 B13R2.72 N=C(N)N1CCC2=C1C=CC=C2 MCULE-5114886305 [1,0,0,1,0,0|2,0,0]=4 903 B13R2.72 N=C(N)N1CCC2=C1C=CC=C2 MCULE-8743162722 [1,0,0,1,0,0|2,0,0]=4 904 B13R2.72 NC(=O)C1=CCC2=C1C=CC=C2 MCULE-2864979942 [1,0,0,1,0,0|1,0,1]=4 905 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 MCULE-1034012078 [1,0,0,1,0,0|1,0,0]=3 906 B13R2.72 NC(=O)C1COC2=CC=CC=C12 MCULE-7848919760 [1,0,0,1,0,0|2,0,0]=4 907 B13R2.72 NC(=O)C1NCC2=CC=CC=C12 MCULE-3091607204 [1,0,0,1,0,0|2,0,0]=4 908 B13R2.72 NC(=O)N1CCC2=C1C=CC=C2 MCULE-7661560290 [1,0,0,1,0,0|1,0,0]=3 909 B13R2.72 NC(=S)N1CCC2=C1C=CC=C2 MCULE-9340756691 [1,0,0,1,0,0|1,1,0]=4 910 B13R2.72 O=C(Cl)N1CCC2=C1C=CC=C2 MCULE-3191784286 [1,0,0,1,0,0|2,0,0]=4 911 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 MCULE-1442501488 [1,0,0,1,0,0|2,0,0]=4 912 B13R2.72 O=C(O)[C@@H]1CCC2=C1C=CC=C2 MCULE-3627673300 [1,0,0,1,0,0|2,0,0]=4 913 B13R2.72 O=C(O)[C@H]1CCC2=C1C=CC=C2 MCULE-6657691413 [1,0,0,1,0,0|2,0,0]=4 914 B13R2.72 O=C(O)[C@H]1CCC2=C1C=CC=C2 MCULE-8230693766 [1,0,0,1,0,0|2,0,0]=4 915 B13R2.163 N=C1CCCC2=C(N1)C=CC=C2 MCULE-1289526808 [1,0,0,1,0,0|2,0,0]=4 916 B13R2.163 O=C1CC2=CC=CC=C2CCN1 MCULE-9254570527 [1,0,0,1,0,0|2,0,0]=4 917 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 MCULE-8809474321 [1,0,0,1,0,0|2,0,0]=4 918 B13R2.163 O=C1CCCC2=C(O1)C=CC=C2 MCULE-8150469050 [1,0,0,1,0,0|2,0,0]=4 919 B13R2.163 O=C1CCCC2=CC=CC=C2N1 MCULE-9063859487 [1,0,0,1,0,0|1,0,0]=3 920 B13R2.163 O=C1CCCC2=CC=CN=C2N1 MCULE-1861730036 [1,0,0,1,0,0|2,0,0]=4 921 B13R2.163 O=C1CCCC2=NC=CC=C2N1 MCULE-9371626573 [1,0,0,1,0,0|2,0,0]=4 922 B13R2.163 O=C1CCNC2=CC=CC=C2N1 MCULE-9582091420 [1,0,0,1,0,0|2,0,0]=4 923 B13R2.163 O=C1CCOC2=C(N1)C=CC=C2 MCULE-8447556892 [1,0,0,1,0,0|2,0,0]=4 924 B13R2.163 O=C1CCSC2=C(N1)C=CC=C2 MCULE-4215509493 [1,0,0,1,0,0|2,0,0]=4 925 B13R2.163 O=C1CNCC2=C(N1)C=CC=C2 MCULE-8128765780 [1,0,0,1,0,0|2,0,0]=4 926 B13R2.163 O=C1CNCC2=C(N1)C=CC=C2 MCULE-8440188604 [1,0,0,1,0,0|2,0,0]=4 927 B13R2.163 O=C1COCC2=CC=CC=C2N1 MCULE-5382138185 [1,0,0,1,0,0|2,0,0]=4 928 B13R2.163 O=C1NCCC2=CC=CC=C2N1 MCULE-4352815973 [1,0,0,1,0,0|1,0,0]=3 929 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 MCULE-1635473880 [1,0,0,1,0,0|2,0,0]=4 930 B13R2.423 NC(=O)C1CC1C2=CC=CC=C2 MCULE-9910333197 [1,0,0,1,0,0|1,0,0]=3 931 B13R2.423 O=C(Cl)C1CC1C2=CC=CC=C2 MCULE-3532716373 [1,0,0,1,0,0|2,0,0]=4 932 B13R2.423 O=C(Cl)[C@@H]1C[C@H]1C2=CC=CC=C2 MCULE-1990899747 [1,0,0,1,0,0|2,0,0]=4 933 B13R2.423 O=C(Cl)[C@@H]1C[C@H]1C2=CC=CC=C2 MCULE-4561409348 [1,0,0,1,0,0|2,0,0]=4 934 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 MCULE-4945206002 [1,0,0,1,0,0|2,0,0]=4 935 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 MCULE-2192210615 [1,0,0,1,0,0|2,0,0]=4 936 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 MCULE-2860569521 [1,0,0,1,0,0|2,0,0]=4 937 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 MCULE-3348394121 [1,0,0,1,0,0|2,0,0]=4 938 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 MCULE-3210600666 [1,0,0,1,0,0|2,0,0]=4 939 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 MCULE-4561189919 [1,0,0,1,0,0|2,0,0]=4 940 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 MCULE-5985179860 [1,0,0,1,0,0|2,0,0]=4 941 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 MCULE-1690730677 [1,0,0,1,0,0|2,0,0]=4 942 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 MCULE-6690615833 [1,0,0,1,0,0|2,0,0]=4 943 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 MCULE-1673792789 [1,0,0,1,0,0|2,0,0]=4 944 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 MCULE-6444612585 [1,0,0,1,0,0|2,0,0]=4 945 B13R2.238 CC1(CC(=O)C1)C2=CC=CC=C2 MCULE-1029918813 [0,0,0,1,1,0|2,0,0]=4 946 B13R2.238 CC1(CC(=O)N1)C2=CC=CC=C2 MCULE-1581533665 [0,0,0,1,1,0|1,0,0]=3 947 B13R2.238 NC1CC(C1)(O)C2=CC=CC=C2 MCULE-2045474617 [0,0,0,1,1,0|1,0,1]=4 948 B13R2.238 NC1CC(C1)(O)C2=CC=CC=C2 MCULE-2639969505 [0,0,0,1,1,0|1,0,1]=4 949 B13R2.328 C=C1OC(=O)NC2=CC=CC=C12 MCULE-2209237243 [0,0,0,1,1,0|1,0,1]=4 950 B13R2.328 CC1CC(=O)NC2=CC=CC=C12 MCULE-3919854543 [0,0,0,1,1,0|1,0,0]=3 951 B13R2.328 CC1NC(=O)NC2=C1C=CC=C2 MCULE-6085524547 [0,0,0,1,1,0|2,0,0]=4 952 B13R2.328 CN1CC(=O)NC2=C1C=CC=C2 MCULE-3215009932 [0,0,0,1,1,0|2,0,0]=4 953 B13R2.328 NC1CC(=O)NC2=CC=CC=C12 MCULE-2600271646 [0,0,0,1,1,0|1,0,0]=3 954 B13R2.328 NC1CC(=O)NC2=CC=CC=C12 MCULE-6998509384 [0,0,0,1,1,0|1,0,0]=3 955 B13R2.328 O=C1CC(=O)C2=C(N1)C=CC=C2 MCULE-4231191927 [0,0,0,1,1,0|0,0,2]=4 956 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 MCULE-9285695361 [0,0,0,1,1,0|0,0,2]=4 957 B13R2.12159 O=S1(=O)CC(C2=C1C=CC=C2)O MCULE-6414301694 [0,0,0,1,1,0|2,0,0]=4 958 B15R2.59 NC(=O)C1CNC(C1)C2=CC=CC=C2 MCULE-6124122946 [0,0,0,1,0,1|2,0,0]=4 959 B15R2.59 O=C(O)C1CC(CO1)C2=CC=CC=C2 MCULE-7500025927 [0,0,0,1,0,1|2,0,0]=4 960 B15R2.59 O=C(O)[C@@H]1CC[C@@H](O1)C2=CC=CC=C2 MCULE-3297020572 [0,0,0,1,0,1|2,0,0]=4 961 B15R2.297 NC(C1=CC=CC=C1)C2=NOC(=O)N2 MCULE-8548593294 [0,0,0,1,0,1|1,0,1]=4 962 B15R2.297 O=C1CCC(O1)C(O)C2=CC=CC=C2 MCULE-9691130229 [0,0,0,1,0,1|2,0,0]=4 963 B15R2.548 O=C1CCCC(CN1)C2=CC=CC=C2 MCULE-6734539856 [0,0,0,1,0,1|2,0,0]=4 964 B15R2.548 O=C1COC(CCN1)C2=CC=CC=C2 MCULE-6347296864 [0,0,0,1,0,1|2,0,0]=4 965 B15R2.1113 CC1(COCC(=O)N1)C2=CC=CC=C2 MCULE-9874546251 [0,0,0,1,0,1|1,0,0]=3 966 B15R2.1226 CC(=O)OCC1CC1C2=CC=CC=C2 MCULE-7038282942 [0,0,0,1,0,1|2,0,0]=4 967 B15R2.1226 CC(=O)OC[C@@H]1C[C@@H]1C2=CC=CC=C2 MCULE-4686166726 [0,0,0,1,0,1|2,0,0]=4 968 B15R2.14628 CC(=O)N1CCC(C2=C1C=CC=C2)O MCULE-3803929923 [0,0,0,1,0,1|2,0,0]=4 969 B15R2.16289 C1(CN1C(C)C2=CC=CC=C2)C(=O)N MCULE-8671291444 [0,0,0,1,0,1|2,0,0]=4 970 B15R2.33 NC1CCC(=O)NC1C2=CC=CC=C2 MCULE-2075120312 [0,0,0,1,0,1|2,0,0]=4 971 B15R2.33 N[C@@H]1CCC(=O)N[C@H]1C2=CC=CC=C2 MCULE-9056812959 [0,0,0,1,0,1|2,0,0]=4 972 B15R2.988 CC1CC(C2=C(N1)C=CC=C2)C(=O)N MCULE-1511229701 [0,0,0,1,0,1|2,0,0]=4 973 B15R2.988 CC1CC(C2=C(N1)C=CC=C2)C(=O)N MCULE-5664244809 [0,0,0,1,0,1|2,0,0]=4 974 B15R2.993 CC(=O)N[C@H]1C2=C(C=CC=C2)C[C@H]1O MCULE-2501546659 [0,0,0,1,0,1|2,0,0]=4 975 B15R2.993 NC(=O)N[C@H]1C2=C(C=CC=C2)C[C@H]1O MCULE-4159958515 [0,0,0,1,0,1|1,0,0]=3 976 B15R2.28 O=C1CCC(CN1)C2=CC(=CC=C2)Br MCULE-5798298448 [0,1,0,1,0,0|2,0,0]=4 977 B15R2.28 O=C1CCC(CN1)C2=CC=CC(=C2)Cl MCULE-5900226598 [0,1,0,1,0,0|2,0,0]=4 978 B15R2.28 O=C1NCC(CO1)C2=CC(=CC=C2)Cl MCULE-8361348874 [0,1,0,1,0,0|1,0,0]=3 979 B15R2.65021 CC1(COC(=O)N1)C2=CC(=CC=C2)Br MCULE-7535879233 [0,1,0,1,0,0|1,0,0]=3 980 B15R2.65021 CC1(COC(=O)N1)C2=CC(=CC=C2)N MCULE-5131184051 [0,1,0,1,0,0|1,0,0]=3 981 B15R2.65021 CC1(COC(=O)N1)C2=CC(=CC=C2)N MCULE-6282139348 [0,1,0,1,0,0|1,0,0]=3 982 B15R2.308 CC1=C(C=CC=C1)C2CCC(=O)NC2 MCULE-9473660746 [0,1,0,1,0,0|2,0,0]=4 983 B15R2.308 O=C1CCC(CN1)C2=CC=CC=C2Cl MCULE-2942823452 [0,1,0,1,0,0|2,0,0]=4 984 B15R2.308 O=C1CCC(CN1)C2=CC=CC=C2F MCULE-8075621863 [0,1,0,1,0,0|2,0,0]=4 985 B15R2.308 O=C1COC(CN1)C2=CC=CC=C2Cl MCULE-2866430964 [0,1,0,1,0,0|2,0,0]=4 986 B15R2.629 O=C(O)CC1CC2=C(C1O)C=CC=C2 MCULE-5717829296 [0,1,0,1,0,0|2,0,0]=4 987 B15R2.14951 N=C(N)N1CC2=C(C=CC=C2)C(C1)O MCULE-2868217092 [0,1,0,1,0,0|2,0,0]=4 988 B15R2.14951 N=C(N)N1CC2=C(C=CC=C2)C(C1)O MCULE-3411808318 [0,1,0,1,0,0|2,0,0]=4 989 B15R2.14951 N=C(N)N1CC2=CC=CC=C2C(C1)O MCULE-1880520080 [0,1,0,1,0,0|2,0,0]=4 990 B15R2.14951 O=C(O)C1CC(C2=C(O1)C=CC=C2)O MCULE-2276202864 [0,1,0,1,0,0|2,0,0]=4 991 B15R2.14951 O=C(O)[C@H]1C[C@H](C2=C(O1)C=CC=C2)O MCULE-6991892382 [0,1,0,1,0,0|2,0,0]=4 992 B15R2.25298 CC1(COC(=O)N1)C2=CC=CC=C2Cl MCULE-3972976661 [0,1,0,1,0,0|1,0,0]=3 993 B15R2.96 NC1(CCC(=O)NC1)C2=CC=CC=C2 MCULE-6489416093 [0,1,0,1,0,0|2,0,0]=4 994 B15R2.96 O=C1CCC(CC1)(O)C2=CC=CC=C2 MCULE-5812250758 [0,1,0,1,0,0|2,0,0]=4 995 B15R2.7221 CN1C(=O)CCC1(O)C2=CC=CC=C2 MCULE-2929290720 [0,1,0,1,0,0|1,0,0]=3 996 B15R2.7221 CN1C(=S)SCC1(O)C2=CC=CC=C2 MCULE-6412435754 [0,1,0,1,0,0|0,2,0]=4 997 B15R2.16130 O=C(O)C1CC(C1)(O)C2=CC=CC=C2 MCULE-1827879747 [0,1,0,1,0,0|2,0,0]=4 998 B15R2.324 CC1(NC(=O)OC1=O)C2=CC=CC=C2 MCULE-5600855596 [0,1,0,1,0,0|1,0,1]=4 999 B15R2.389 O=C1NCC(C(=O)N1)C2=CC=CC=C2 MCULE-4249875322 [0,1,0,1,0,0|1,0,1]=4 1000 B15R2.5167 C=CC1(COC(=O)O1)C2=CC=CC=C2 MCULE-2781345097 [0,1,0,1,0,0|2,0,0]=4 1001 B15R2.5167 COC1(CCC(=O)O1)C2=CC=CC=C2 MCULE-1620058714 [0,1,0,1,0,0|2,0,0]=4 1002 B15R2.5167 O=C1CC(CN1)(CO)C2=CC=CC=C2 MCULE-7000719823 [0,1,0,1,0,0|2,0,0]=4 1003 B15R2.5211 COC1(CC1C(=O)O)C2=CC=CC=C2 MCULE-1183597735 [0,1,0,1,0,0|2,0,0]=4 1004 B15R2.3 CC1=CC=C(C=C1)C2CCC(=O)NC2 MCULE-4304031539 [0,1,0,1,0,0|2,0,0]=4 1005 B15R2.3 CC1=CC=C(C=C1)C2CNC(=O)CO2 MCULE-8229012042 [0,1,0,1,0,0|2,0,0]=4 1006 B15R2.3 O=C1COC(CN1)C2=CC=C(C=C2)Br MCULE-6207438938 [0,1,0,1,0,0|2,0,0]=4 1007 B15R2.3 O=C1COC(CN1)C2=CC=C(C=C2)Cl MCULE-7434014436 [0,1,0,1,0,0|2,0,0]=4 1008 B15R2.18922 CC1(COC(=O)N1)C2=CC=C(C=C2)Br MCULE-4849525641 [0,1,0,1,0,0|1,0,0]=3 1009 B15R3.76 O=C1NCC2CC1C3=CC=CC=C23 MCULE-6603115568 [0,0,0,2,0,0|2,0,0]=4 1010 B11R1.91 C=C(Br)CCC1=CC=CC=C1 MCULE-6424792652 [1,0,0,0,1,0|2,0,0]=4 1011 B11R1.91 C=C(C)CCC1=CC=CC=C1 MCULE-2990252396 [1,0,0,0,1,0|2,0,0]=4 1012 B11R1.91 C=C(C)OCC1=CC=CC=C1 MCULE-9253229966 [1,0,0,0,1,0|2,0,0]=4 1013 B11R1.91 C=C(Cl)CCC1=CC=CC=C1 MCULE-9913703516 [1,0,0,0,1,0|2,0,0]=4 1014 B11R1.91 CC(=O)CCC1=CC=CC=C1 MCULE-1136231603 [1,0,0,0,1,0|1,0,0]=3 1015 B11R1.91 CC(=O)CCC1=CN=CC=C1 MCULE-8978954109 [1,0,0,0,1,0|2,0,0]=4 1016 B11R1.91 CC(=O)CCC1=NC=CC=C1 MCULE-2250801533 [1,0,0,0,1,0|2,0,0]=4 1017 B11R1.91 CC(=O)COC1=CC=CC=C1 MCULE-8124389556 [1,0,0,0,1,0|2,0,0]=4 1018 B11R1.91 CC(=O)CSC1=CC=CC=C1 MCULE-8704732850 [1,0,0,0,1,0|2,0,0]=4 1019 B11R1.91 CC(=O)NCC1=CC=CC=C1 MCULE-2051924381 [1,0,0,0,1,0|2,0,0]=4 1020 B11R1.91 CC(=O)OCC1=CC=CC=C1 MCULE-7952998506 [1,0,0,0,1,0|1,0,0]=3 1021 B11R1.91 CC(=O)OCC1=CC=NC=C1 MCULE-9787989740 [1,0,0,0,1,0|2,0,0]=4 1022 B11R1.91 CC(=O)OCC1=NC=CC=C1 MCULE-8957630952 [1,0,0,0,1,0|2,0,0]=4 1023 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 MCULE-2518875564 [1,0,0,0,1,0|2,0,0]=4 1024 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 MCULE-5081261516 [1,0,0,0,1,0|2,0,0]=4 1025 B11R1.91 CC(N)CCC1=CC=CC=C1 MCULE-8780190200 [1,0,0,0,1,0|1,0,1]=4 1026 B11R1.91 C[C@@H](N)CCC1=CC=CC=C1 MCULE-3014014292 [1,0,0,0,1,0|1,0,1]=4 1027 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 MCULE-6029467007 [1,0,0,0,1,0|1,0,1]=4 1028 B11R1.91 N=C(N)CCC1=CC=CC=C1 MCULE-3670139370 [1,0,0,0,1,0|1,0,0]=3 1029 B11R1.91 N=C(N)CCC1=CC=CC=C1 MCULE-9569405514 [1,0,0,0,1,0|1,0,0]=3 1030 B11R1.91 N=C(N)CCC1=CN=CC=C1 MCULE-6283877498 [1,0,0,0,1,0|2,0,0]=4 1031 B11R1.91 N=C(N)CCC1=NC=CC=C1 MCULE-8138398243 [1,0,0,0,1,0|2,0,0]=4 1032 B11R1.91 N=C(N)CCC1=NC=CC=C1 MCULE-9220159999 [1,0,0,0,1,0|2,0,0]=4 1033 B11R1.91 N=C(N)COC1=CC=CC=C1 MCULE-2324789233 [1,0,0,0,1,0|2,0,0]=4 1034 B11R1.91 N=C(N)COC1=CC=CC=C1 MCULE-8412140796 [1,0,0,0,1,0|2,0,0]=4 1035 B11R1.91 N=C(N)CSC1=CC=CC=C1 MCULE-3237560312 [1,0,0,0,1,0|2,0,0]=4 1036 B11R1.91 N=C(N)CSC1=CC=CC=C1 MCULE-6891706369 [1,0,0,0,1,0|2,0,0]=4 1037 B11R1.91 N=C(N)NCC1=CC=CC=C1 MCULE-1999057378 [1,0,0,0,1,0|2,0,0]=4 1038 B11R1.91 N=C(N)NCC1=CC=CC=C1 MCULE-7043542693 [1,0,0,0,1,0|2,0,0]=4 1039 B11R1.91 N=C(N)NCC1=CC=CC=C1 MCULE-8415890377 [1,0,0,0,1,0|2,0,0]=4 1040 B11R1.91 N=C(N)OCC1=CC=CC=C1 MCULE-9880051094 [1,0,0,0,1,0|1,0,0]=3 1041 B11R1.91 N=C(N)SCC1=CC=CC=C1 MCULE-2727300494 [1,0,0,0,1,0|1,1,0]=4 1042 B11R1.91 N=C(N)SCC1=CC=CC=C1 MCULE-9265876579 [1,0,0,0,1,0|1,1,0]=4 1043 B11R1.91 N=C(N)SCC1=CC=CC=C1 MCULE-9966047767 [1,0,0,0,1,0|1,1,0]=4 1044 B11R1.91 NC(=NCC1=CC=CC=C1)N MCULE-7538846735 [1,0,0,0,1,0|2,0,0]=4 1045 B11R1.91 NC(=O)/C=C/C1=CC=CC=C1 MCULE-1428301205 [1,0,0,0,1,0|0,0,2]=4 1046 B11R1.91 NC(=O)C#CC1=CC=CC=C1 MCULE-2555027024 [1,0,0,0,1,0|0,0,2]=4 1047 B11R1.91 NC(=O)C=CC1=CC=CC=C1 MCULE-9669016303 [1,0,0,0,1,0|0,0,2]=4 1048 B11R1.91 NC(=O)CCC1=CC=CC=C1 MCULE-3588566414 [1,0,0,0,1,0|0,0,0]=2 1049 B11R1.91 NC(=O)CCC1=CC=CN=C1 MCULE-9563578514 [1,0,0,0,1,0|1,0,0]=3 1050 B11R1.91 NC(=O)CCC1=CC=NC=C1 MCULE-7075206346 [1,0,0,0,1,0|1,0,0]=3 1051 B11R1.91 NC(=O)CCC1=CC=NC=N1 MCULE-1725058959 [1,0,0,0,1,0|2,0,0]=4 1052 B11R1.91 NC(=O)CCC1=NC=CC=C1 MCULE-8837139984 [1,0,0,0,1,0|1,0,0]=3 1053 B11R1.91 NC(=O)CCC1=NC=CC=N1 MCULE-3344072771 [1,0,0,0,1,0|2,0,0]=4 1054 B11R1.91 NC(=O)CNC1=CC=CC=C1 MCULE-7476540506 [1,0,0,0,1,0|1,0,0]=3 1055 B11R1.91 NC(=O)COC1=CC=CC=C1 MCULE-6625282279 [1,0,0,0,1,0|1,0,0]=3 1056 B11R1.91 NC(=O)CSC1=CC=CC=C1 MCULE-3396189878 [1,0,0,0,1,0|1,0,0]=3 1057 B11R1.91 NC(=O)CSC1=NC=CC=C1 MCULE-8820423914 [1,0,0,0,1,0|2,0,0]=4 1058 B11R1.91 NC(=O)NCC1=CC=CC=C1 MCULE-8856820054 [1,0,0,0,1,0|1,0,0]=3 1059 B11R1.91 NC(=O)NCC1=CN=CC=C1 MCULE-4904155902 [1,0,0,0,1,0|2,0,0]=4 1060 B11R1.91 NC(=O)NCC1=NC=CC=C1 MCULE-8949422121 [1,0,0,0,1,0|2,0,0]=4 1061 B11R1.91 NC(=O)NNC1=CC=CC=C1 MCULE-9005466152 [1,0,0,0,1,0|2,0,0]=4 1062 B11R1.91 NC(=O)NNC1=CC=CC=C1 MCULE-9682434617 [1,0,0,0,1,0|2,0,0]=4 1063 B11R1.91 NC(=O)OCC1=CC=CC=C1 MCULE-8357463584 [1,0,0,0,1,0|0,0,0]=2 1064 B11R1.91 NC(=S)CCC1=CC=CC=C1 MCULE-8507623226 [1,0,0,0,1,0|0,1,0]=3 1065 B11R1.91 NC(=S)CCC1=NC=CC=C1 MCULE-2696064625 [1,0,0,0,1,0|1,1,0]=4 1066 B11R1.91 NC(=S)COC1=CC=CC=C1 MCULE-7627348027 [1,0,0,0,1,0|1,1,0]=4 1067 B11R1.91 NC(=S)CSC1=CC=CC=C1 MCULE-4737917650 [1,0,0,0,1,0|1,1,0]=4 1068 B11R1.91 NC(=S)NCC1=CC=CC=C1 MCULE-3106139297 [1,0,0,0,1,0|1,1,0]=4 1069 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 MCULE-2895233000 [1,0,0,0,1,0|1,0,0]=3 1070 B11R1.91 O=C(Cl)CCC1=CN=CC=C1 MCULE-1586300353 [1,0,0,0,1,0|2,0,0]=4 1071 B11R1.91 O=C(Cl)CNC1=CC=CC=C1 MCULE-1633452872 [1,0,0,0,1,0|2,0,0]=4 1072 B11R1.91 O=C(Cl)COC1=CC=CC=C1 MCULE-9859987129 [1,0,0,0,1,0|2,0,0]=4 1073 B11R1.91 O=C(Cl)CSC1=CC=CC=C1 MCULE-8287615777 [1,0,0,0,1,0|2,0,0]=4 1074 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MCULE-3541425724 [1,0,0,0,1,0|1,0,0]=3 1075 B11R1.91 O=C(Cl)OCC1=CN=CC=C1 MCULE-1746574828 [1,0,0,0,1,0|2,0,0]=4 1076 B11R1.91 O=C(Cl)OCC1=CN=CC=C1 MCULE-8566293910 [1,0,0,0,1,0|2,0,0]=4 1077 B11R1.91 O=C(O)CCC1=CC=CC=C1 MCULE-1670073750 [1,0,0,0,1,0|1,0,0]=3 1078 B11R1.91 O=C(O)CCC1=CC=CC=N1 MCULE-7798422459 [1,0,0,0,1,0|2,0,0]=4 1079 B11R1.91 O=C(O)CCC1=CC=NC=C1 MCULE-4931237552 [1,0,0,0,1,0|2,0,0]=4 1080 B11R1.91 O=C(O)CCC1=CN=CC=C1 MCULE-9809125467 [1,0,0,0,1,0|2,0,0]=4 1081 B11R1.91 O=C(O)CCC1=NC=CC=C1 MCULE-3850875705 [1,0,0,0,1,0|2,0,0]=4 1082 B11R1.91 O=C(O)CCC1=NC=CC=C1 MCULE-7947562908 [1,0,0,0,1,0|2,0,0]=4 1083 B11R1.91 O=C(O)CNC1=CC=CC=C1 MCULE-4813130378 [1,0,0,0,1,0|2,0,0]=4 1084 B11R1.91 O=C(O)COC1=CC=CC=C1 MCULE-5625991303 [1,0,0,0,1,0|2,0,0]=4 1085 B11R1.91 O=C(O)CSC1=CC=CC=C1 MCULE-4616509502 [1,0,0,0,1,0|2,0,0]=4 1086 B11R1.91 O=C([O-])CCC1=CC=CC=C1 MCULE-5708877330 [1,0,0,0,1,0|1,0,0]=3 1087 B11R1.91 O=C([O-])CNC1=CC=CC=C1 MCULE-9404328653 [1,0,0,0,1,0|2,0,0]=4 1088 B11R1.91 O=C([O-])COC1=CC=CC=C1 MCULE-2112503384 [1,0,0,0,1,0|2,0,0]=4 1089 B11R1.91 O=N(=O)CCC1=CC=CC=C1 MCULE-3728059699 [1,0,0,0,1,0|2,0,0]=4 1090 B11R1.91 [C@H](C)(N)CCC1=CC=CC=C1 MCULE-2541579869 [1,0,0,0,1,0|1,0,1]=4 1091 B11R1.172 NC(=O)NCCC1=CC=CS1 MCULE-3023710976 [1,0,0,0,1,0|2,0,0]=4 1092 B11R1.36 C(O)(C(=O)O)C1=CC=CC=C1 MCULE-3645088931 [0,0,0,0,2,0|1,0,0]=3 1093 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 MCULE-9489988417 [0,0,0,0,2,0|2,0,0]=4 1094 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 MCULE-8875712721 [0,0,0,0,2,0|2,0,0]=4 1095 B11R1.36 CC(=O)C(Cl)C1=CC=CC=C1 MCULE-8317269727 [0,0,0,0,2,0|2,0,0]=4 1096 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 MCULE-2552457331 [0,0,0,0,2,0|2,0,0]=4 1097 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 MCULE-7429617393 [0,0,0,0,2,0|2,0,0]=4 1098 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 MCULE-3664140567 [0,0,0,0,2,0|1,0,0]=3 1099 B11R1.36 CC(=O)N(O)C1=CC=CC=C1 MCULE-4328016035 [0,0,0,0,2,0|2,0,0]=4 1100 B11R1.36 CC(C(=N)N)C1=CC=CC=C1 MCULE-1020026106 [0,0,0,0,2,0|2,0,0]=4 1101 B11R1.36 CC(C(=N)N)C1=CC=CC=C1 MCULE-8225478160 [0,0,0,0,2,0|2,0,0]=4 1102 B11R1.36 CC(C(=O)Cl)C1=CC=CC=C1 MCULE-3063957040 [0,0,0,0,2,0|2,0,0]=4 1103 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 MCULE-8198630371 [0,0,0,0,2,0|1,0,0]=3 1104 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 MCULE-4465662040 [0,0,0,0,2,0|2,0,0]=4 1105 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 MCULE-4769978518 [0,0,0,0,2,0|2,0,0]=4 1106 B11R1.36 CC(N)C(O)C1=CC=CC=C1 MCULE-1171274893 [0,0,0,0,2,0|1,0,1]=4 1107 B11R1.36 CC(N)C(O)C1=CC=CC=C1 MCULE-9503580838 [0,0,0,0,2,0|1,0,1]=4 1108 B11R1.36 CN(C(=O)N)C1=CC=CC=C1 MCULE-9415272014 [0,0,0,0,2,0|2,0,0]=4 1109 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 MCULE-3247258409 [0,0,0,0,2,0|2,0,0]=4 1110 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 MCULE-4619212613 [0,0,0,0,2,0|2,0,0]=4 1111 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 MCULE-2457281374 [0,0,0,0,2,0|2,0,0]=4 1112 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 MCULE-5042449970 [0,0,0,0,2,0|2,0,0]=4 1113 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 MCULE-4586375459 [0,0,0,0,2,0|1,0,0]=3 1114 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 MCULE-9623832929 [0,0,0,0,2,0|1,0,0]=3 1115 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 MCULE-4316688244 [0,0,0,0,2,0|1,0,0]=3 1116 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 MCULE-3176790886 [0,0,0,0,2,0|1,0,0]=3 1117 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 MCULE-8173005662 [0,0,0,0,2,0|1,0,0]=3 1118 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 MCULE-8519416762 [0,0,0,0,2,0|1,0,0]=3 1119 B11R1.36 NC(=O)C(N)C1=CC=CN=C1 MCULE-2890844712 [0,0,0,0,2,0|2,0,0]=4 1120 B11R1.36 NC(=O)C(N)C1=CC=NC=C1 MCULE-2918121563 [0,0,0,0,2,0|2,0,0]=4 1121 B11R1.36 NC(=O)C(N)C1=NC=CC=C1 MCULE-9775142333 [0,0,0,0,2,0|2,0,0]=4 1122 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 MCULE-3346806367 [0,0,0,0,2,0|0,0,0]=2 1123 B11R1.36 NC(=O)C(O)C1=CC=CN=C1 MCULE-9898332563 [0,0,0,0,2,0|1,0,0]=3 1124 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 MCULE-1980630747 [0,0,0,0,2,0|1,0,0]=3 1125 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 MCULE-4153325131 [0,0,0,0,2,0|1,0,0]=3 1126 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 MCULE-5689154225 [0,0,0,0,2,0|1,0,0]=3 1127 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 MCULE-6924969513 [0,0,0,0,2,0|1,0,0]=3 1128 B11R1.36 NC(=O)[C@@H](O)C1=CC=CC=C1 MCULE-8316737467 [0,0,0,0,2,0|0,0,0]=2 1129 B11R1.36 NC(=O)[C@@H](O)C1=CC=CC=C1 MCULE-8586857562 [0,0,0,0,2,0|0,0,0]=2 1130 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 MCULE-3550814573 [0,0,0,0,2,0|1,0,0]=3 1131 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 MCULE-3817297810 [0,0,0,0,2,0|1,0,0]=3 1132 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 MCULE-4284363725 [0,0,0,0,2,0|1,0,0]=3 1133 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 MCULE-6878955018 [0,0,0,0,2,0|1,0,0]=3 1134 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 MCULE-1449951968 [0,0,0,0,2,0|0,0,0]=2 1135 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 MCULE-4514578285 [0,0,0,0,2,0|0,0,0]=2 1136 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 MCULE-3112781283 [0,0,0,0,2,0|2,0,0]=4 1137 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 MCULE-6367799169 [0,0,0,0,2,0|2,0,0]=4 1138 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 MCULE-1541760076 [0,0,0,0,2,0|2,0,0]=4 1139 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 MCULE-7084105095 [0,0,0,0,2,0|2,0,0]=4 1140 B11R1.36 NC(C(=O)[O-])C1=CC=CC=C1 MCULE-5292706643 [0,0,0,0,2,0|2,0,0]=4 1141 B11R1.36 N[C@@H](C(=O)Cl)C1=CC=CC=C1 MCULE-1634001738 [0,0,0,0,2,0|2,0,0]=4 1142 B11R1.36 N[C@@H](C(=O)Cl)C1=CC=CC=C1 MCULE-1854882927 [0,0,0,0,2,0|2,0,0]=4 1143 B11R1.36 N[C@@H](C(=O)Cl)C1=CC=CC=C1 MCULE-7606570557 [0,0,0,0,2,0|2,0,0]=4 1144 B11R1.36 N[C@@H](C(=O)Cl)C1=CC=CC=C1 MCULE-9084874438 [0,0,0,0,2,0|2,0,0]=4 1145 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 MCULE-1151649771 [0,0,0,0,2,0|2,0,0]=4 1146 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 MCULE-4882172946 [0,0,0,0,2,0|2,0,0]=4 1147 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 MCULE-5961405650 [0,0,0,0,2,0|2,0,0]=4 1148 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 MCULE-6391573296 [0,0,0,0,2,0|2,0,0]=4 1149 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 MCULE-6139481120 [0,0,0,0,2,0|2,0,0]=4 1150 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 MCULE-8262037456 [0,0,0,0,2,0|2,0,0]=4 1151 B11R1.36 O=C(Cl)C(Br)C1=CC=CC=C1 MCULE-1110202814 [0,0,0,0,2,0|2,0,0]=4 1152 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 MCULE-3203909118 [0,0,0,0,2,0|2,0,0]=4 1153 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 MCULE-4937476805 [0,0,0,0,2,0|2,0,0]=4 1154 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 MCULE-8059678553 [0,0,0,0,2,0|2,0,0]=4 1155 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 MCULE-5274925948 [0,0,0,0,2,0|2,0,0]=4 1156 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 MCULE-3206518139 [0,0,0,0,2,0|1,0,0]=3 1157 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 MCULE-3993533957 [0,0,0,0,2,0|1,0,0]=3 1158 B11R1.36 O=C(O)C(O)C1=CC=NC=C1 MCULE-9832050471 [0,0,0,0,2,0|2,0,0]=4 1159 B11R1.36 O=C(O)C(O)C1=CN=CC=C1 MCULE-7772484780 [0,0,0,0,2,0|2,0,0]=4 1160 B11R1.36 O=C(O)C(O)C1=NC=CC=C1 MCULE-8253329680 [0,0,0,0,2,0|2,0,0]=4 1161 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 MCULE-7109199321 [0,0,0,0,2,0|1,1,0]=4 1162 B11R1.36 O=C(O)[C@@H](Br)C1=CC=CC=C1 MCULE-8189789476 [0,0,0,0,2,0|2,0,0]=4 1163 B11R1.36 O=C(O)[C@@H](Cl)C1=CC=CC=C1 MCULE-8175708585 [0,0,0,0,2,0|2,0,0]=4 1164 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 MCULE-5790478734 [0,0,0,0,2,0|1,0,0]=3 1165 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 MCULE-7845432123 [0,0,0,0,2,0|1,0,0]=3 1166 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 MCULE-1756603704 [0,0,0,0,2,0|1,0,0]=3 1167 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 MCULE-7674691218 [0,0,0,0,2,0|1,0,0]=3 1168 B11R1.36 O=C([O-])C(O)C1=CC=CC=C1 MCULE-6234808863 [0,0,0,0,2,0|1,0,0]=3 1169 B11R1.36 O=C([O-])C(O)C1=NC=CC=C1 MCULE-9180911251 [0,0,0,0,2,0|2,0,0]=4 1170 B11R1.36 [NH3+]C(C(=O)O)C1=CC=CC=C1 MCULE-9538674888 [0,0,0,0,2,0|2,0,0]=4 1171 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 MCULE-9175861444 [1,0,0,0,0,1|2,0,0]=4 1172 B13R1.337 CC(=O)CCNCC1=CC=CC=C1 MCULE-8260778602 [1,0,0,0,0,1|2,0,0]=4 1173 B13R1.337 CC(=O)CCNCC1=CC=CC=C1 MCULE-9536977701 [1,0,0,0,0,1|2,0,0]=4 1174 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 MCULE-2004419521 [1,0,0,0,0,1|2,0,0]=4 1175 B13R1.337 CC(=O)NCCCC1=CC=CC=C1 MCULE-6100741046 [1,0,0,0,0,1|2,0,0]=4 1176 B13R1.337 CC(=O)NCCOC1=CC=CC=C1 MCULE-7901390607 [1,0,0,0,0,1|2,0,0]=4 1177 B13R1.337 CC(=O)OC/C=C/C1=CC=CC=C1 MCULE-1691345298 [1,0,0,0,0,1|1,0,1]=4 1178 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 MCULE-7979134462 [1,0,0,0,0,1|1,0,1]=4 1179 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 MCULE-2899417581 [1,0,0,0,0,1|1,0,0]=3 1180 B13R1.337 CC(=O)OCCCC1=CC=NC=C1 MCULE-9915797933 [1,0,0,0,0,1|2,0,0]=4 1181 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 MCULE-6233534931 [1,0,0,0,0,1|1,0,0]=3 1182 B13R1.337 CC(=O)SCCOC1=CC=CC=C1 MCULE-2056913316 [1,0,0,0,0,1|1,1,0]=4 1183 B13R1.337 N=C(N)CCCOC1=CC=CC=C1 MCULE-1815717885 [1,0,0,0,0,1|2,0,0]=4 1184 B13R1.337 N=C(N)CCCOC1=CC=CC=C1 MCULE-9694586889 [1,0,0,0,0,1|2,0,0]=4 1185 B13R1.337 N=C(N)CCOCC1=CC=CC=C1 MCULE-6641923560 [1,0,0,0,0,1|2,0,0]=4 1186 B13R1.337 N=C(N)CCOCC1=CC=CC=C1 MCULE-8071228005 [1,0,0,0,0,1|2,0,0]=4 1187 B13R1.337 N=C(N)NCCCC1=CC=CC=C1 MCULE-4442463896 [1,0,0,0,0,1|2,0,0]=4 1188 B13R1.337 N=C(N)NCCCC1=CC=CC=C1 MCULE-9236865776 [1,0,0,0,0,1|2,0,0]=4 1189 B13R1.337 N=C(N)SCCCC1=CC=CC=C1 MCULE-2818396926 [1,0,0,0,0,1|1,1,0]=4 1190 B13R1.337 N=C(N)SCCCC1=CC=CC=C1 MCULE-5836081012 [1,0,0,0,0,1|1,1,0]=4 1191 B13R1.337 N=C(N)SCCOC1=CC=CC=C1 MCULE-3357218108 [1,0,0,0,0,1|1,1,0]=4 1192 B13R1.337 N=C(N)SCCOC1=CC=CC=C1 MCULE-7369412332 [1,0,0,0,0,1|1,1,0]=4 1193 B13R1.337 NC(=NNCCC1=CC=CC=C1)N MCULE-3651789182 [1,0,0,0,0,1|2,0,0]=4 1194 B13R1.337 NC(=O)CCCOC1=CC=CC=C1 MCULE-4454926991 [1,0,0,0,0,1|1,0,0]=3 1195 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 MCULE-8073483780 [1,0,0,0,0,1|1,0,0]=3 1196 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 MCULE-9028611191 [1,0,0,0,0,1|1,0,0]=3 1197 B13R1.337 NC(=O)CCNCC1=CN=CC=C1 MCULE-9406121186 [1,0,0,0,0,1|2,0,0]=4 1198 B13R1.337 NC(=O)CCOCC1=CC=CC=C1 MCULE-7333319459 [1,0,0,0,0,1|1,0,0]=3 1199 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 MCULE-8317987041 [1,0,0,0,0,1|1,0,0]=3 1200 B13R1.337 NC(=O)NCCCC1=CC=CC=C1 MCULE-2669689811 [1,0,0,0,0,1|1,0,0]=3 1201 B13R1.337 NC(=O)NCCOC1=CC=CC=C1 MCULE-2980028914 [1,0,0,0,0,1|1,0,0]=3 1202 B13R1.337 NC(=O)NOCCC1=CC=CC=C1 MCULE-2967022731 [1,0,0,0,0,1|0,0,0]=2 1203 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 MCULE-7540960722 [1,0,0,0,0,1|0,0,0]=2 1204 B13R1.337 NC(=S)NCCCC1=CC=CC=C1 MCULE-6012353715 [1,0,0,0,0,1|1,1,0]=4 1205 B13R1.337 NC(=S)SCCOC1=CC=CC=C1 MCULE-7037403267 [1,0,0,0,0,1|0,2,0]=4 1206 B13R1.337 O=C(Cl)CCCCC1=CC=CC=C1 MCULE-5914102108 [1,0,0,0,0,1|2,0,0]=4 1207 B13R1.337 O=C(Cl)CCCOC1=CC=CC=C1 MCULE-9116962866 [1,0,0,0,0,1|2,0,0]=4 1208 B13R1.337 O=C(Cl)CCCSC1=CC=CC=C1 MCULE-1991280259 [1,0,0,0,0,1|2,0,0]=4 1209 B13R1.337 O=C(Cl)CCOCC1=CC=CC=C1 MCULE-6481690926 [1,0,0,0,0,1|2,0,0]=4 1210 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 MCULE-8015471259 [1,0,0,0,0,1|1,0,0]=3 1211 B13R1.337 O=C(O)/C=C/CCC1=CC=CC=C1 MCULE-4189712288 [1,0,0,0,0,1|2,0,0]=4 1212 B13R1.337 O=C(O)C#CCCC1=CC=CC=C1 MCULE-5042513297 [1,0,0,0,0,1|2,0,0]=4 1213 B13R1.337 O=C(O)C=CCCC1=CC=CC=C1 MCULE-7534899498 [1,0,0,0,0,1|2,0,0]=4 1214 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 MCULE-5972199258 [1,0,0,0,0,1|2,0,0]=4 1215 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 MCULE-6034181156 [1,0,0,0,0,1|2,0,0]=4 1216 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 MCULE-1194220261 [1,0,0,0,0,1|2,0,0]=4 1217 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 MCULE-5490248981 [1,0,0,0,0,1|2,0,0]=4 1218 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 MCULE-6898264010 [1,0,0,0,0,1|2,0,0]=4 1219 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 MCULE-6896886697 [1,0,0,0,0,1|2,0,0]=4 1220 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 MCULE-5162976213 [1,0,0,0,0,1|2,0,0]=4 1221 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 MCULE-2003464240 [1,0,0,0,0,1|2,0,0]=4 1222 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 MCULE-8931446746 [1,0,0,0,0,1|2,0,0]=4 1223 B13R1.337 O=C(O)COCCC1=CC=CC=C1 MCULE-5290811178 [1,0,0,0,0,1|1,0,0]=3 1224 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 MCULE-5406855931 [1,0,0,0,0,1|1,1,0]=4 1225 B15R1.1081 NC(=O)COCC(=O)NC1=CC=CC=C1 MCULE-7396146690 [0,0,0,0,0,2|0,0,2]=4 1226 B15R1.5919 N=C(N)NCC(O)CNC1=CC=CC=C1 MCULE-6474005800 [0,0,0,0,0,2|2,0,0]=4 1227 B15R1.5919 NC(=[NH2+])NCC(O)CNC1=CC=CC=C1 MCULE-4929884316 [0,0,0,0,0,2|2,0,0]=4