0 B15R2.32 CC1C(=O)CCNC1C2=CC=CC=C2 MCULE-1626533407 [0,0,0,0,0,0|3,0,0]=3 1 B15R2.32 CC1C(OCCN1C)C2=CC=CC=C2 MCULE-2105311723 [0,0,0,0,0,0|0,0,0]=0 2 B15R2.32 CC1C(OCCN1C)C2=CC=CC=C2 MCULE-4434944375 [0,0,0,0,0,0|0,0,0]=0 3 B15R2.32 CN1CCN=C(C1=O)C2=CC=CC=C2 MCULE-9063982569 [0,0,0,0,0,0|2,0,2]=4 4 B15R2.32 CN1CCNC(C1=O)C2=CC=CC=C2 MCULE-4173408205 [0,0,0,0,0,0|2,0,1]=3 5 B15R2.32 CN1CCNC(C1=O)C2=CC=CC=C2 MCULE-4782102674 [0,0,0,0,0,0|2,0,1]=3 6 B14R2.21 BrC1CCOC(C1)C2=CN=CC=C2 MCULE-3452612720 [1,0,0,0,0,0|3,0,0]=4 7 B14R2.21 CC1CC(CCN1)C2=CC=CC=C2 MCULE-9845102757 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.21 CC1CC(CCS1)C2=CC=CC=C2 MCULE-8651764207 [1,0,0,0,0,0|3,0,0]=4 9 B14R2.21 CC1CCCC(C1)C2=CC=CC=C2 MCULE-9263328984 [1,0,0,0,0,0|2,0,0]=3 10 B14R2.21 CC1CCOC(O1)C2=CC=CC=C2 MCULE-2425646185 [1,0,0,0,0,0|2,0,0]=3 11 B14R2.21 CC1CNCC(C1)C2=CC=CC=C2 MCULE-3102183755 [1,0,0,0,0,0|3,0,0]=4 12 B14R2.21 CN1CC=CC(C1)C2=CC=CC=C2 MCULE-4744731020 [1,0,0,0,0,0|1,0,1]=3 13 B14R2.21 CN1CCNC(C1)C2=CC=CC=C2 MCULE-2167407320 [1,0,0,0,0,0|1,0,0]=2 14 B14R2.21 CN1CCN[C@H](C1)C2=CC=CC=C2 MCULE-6541988493 [1,0,0,0,0,0|1,0,0]=2 15 B14R2.21 CN1CCOC(C1)C2=CC=CC=C2 MCULE-7523668090 [1,0,0,0,0,0|0,0,0]=1 16 B14R2.21 NC1CCCC(C1)C2=CC=CC=C2 MCULE-3948327302 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.21 NC1CCOC(C1)C2=CC=CC=C2 MCULE-2200412661 [1,0,0,0,0,0|2,0,0]=3 18 B14R2.21 NC1CCOC(C1)C2=CC=CC=C2 MCULE-7291981485 [1,0,0,0,0,0|2,0,0]=3 19 B14R2.21 NC1CCOC(C1)C2=CC=NC=C2 MCULE-5933356565 [1,0,0,0,0,0|3,0,0]=4 20 B14R2.21 NC1CCOC(C1)C2=CN=CC=C2 MCULE-1624891100 [1,0,0,0,0,0|3,0,0]=4 21 B14R2.21 N[C@@H]1CCC[C@@H](C1)C2=CC=CC=C2 MCULE-2476123758 [1,0,0,0,0,0|3,0,0]=4 22 B14R2.21 N[C@@H]1CCC[C@H](C1)C2=CC=CC=C2 MCULE-2311110913 [1,0,0,0,0,0|3,0,0]=4 23 B14R2.21 N[C@@H]1CCO[C@H](C1)C2=CC=CC=C2 MCULE-4308661260 [1,0,0,0,0,0|2,0,0]=3 24 B14R2.21 N[C@@H]1CCO[C@H](C1)C2=CC=CC=C2 MCULE-4939196446 [1,0,0,0,0,0|2,0,0]=3 25 B14R2.21 N[C@@H]1CCO[C@H](C1)C2=CC=CN=C2 MCULE-2986217032 [1,0,0,0,0,0|3,0,0]=4 26 B14R2.21 N[C@H]1CCC[C@@H](C1)C2=CC=CC=C2 MCULE-7851499652 [1,0,0,0,0,0|3,0,0]=4 27 B14R2.21 N[C@H]1CCC[C@H](C1)C2=CC=CC=C2 MCULE-5160126400 [1,0,0,0,0,0|3,0,0]=4 28 B14R2.21 O=C1CCCC(C1)C2=CC=CC=C2 MCULE-2162649629 [1,0,0,0,0,0|3,0,0]=4 29 B14R2.21 O=C1CCC[C@@H](C1)C2=CC=CC=C2 MCULE-3224632068 [1,0,0,0,0,0|3,0,0]=4 30 B14R2.21 O=C1CCC[C@@H](C1)C2=CC=CC=C2 MCULE-7021860180 [1,0,0,0,0,0|3,0,0]=4 31 B14R2.21 O=C1CCC[C@H](C1)C2=CC=CC=C2 MCULE-6980050830 [1,0,0,0,0,0|3,0,0]=4 32 B14R2.21 O=C1CCC[C@H](C1)C2=CC=CC=C2 MCULE-9598372732 [1,0,0,0,0,0|3,0,0]=4 33 B14R2.21 O=C1CCNC(C1)C2=CC=CC=C2 MCULE-7081488482 [1,0,0,0,0,0|3,0,0]=4 34 B14R2.21 O=C1CCNC(C1)C2=CC=CC=C2 MCULE-8279076647 [1,0,0,0,0,0|3,0,0]=4 35 B14R2.21 O=C1CCOC(C1)C2=CC=CC=C2 MCULE-4672649666 [1,0,0,0,0,0|2,0,0]=3 36 B14R2.21 O=S1CCNC(C1)C2=CC=CC=C2 MCULE-7934769387 [1,0,0,0,0,0|3,0,0]=4 37 B14R2.21 OC1CCCC(C1)C2=CC=CC=C2 MCULE-8386168916 [1,0,0,0,0,0|3,0,0]=4 38 B14R2.21 OC1CCNC(C1)C2=CC=CC=C2 MCULE-5158829494 [1,0,0,0,0,0|3,0,0]=4 39 B14R2.21 OC1CCNC(C1)C2=CC=CC=C2 MCULE-9938358879 [1,0,0,0,0,0|3,0,0]=4 40 B14R2.21 OC1CCOC(C1)C2=CC=CC=C2 MCULE-5336834453 [1,0,0,0,0,0|2,0,0]=3 41 B14R2.21 O[C@@H]1CCO[C@H](C1)C2=CC=CC=C2 MCULE-9187229351 [1,0,0,0,0,0|2,0,0]=3 42 B14R2.24 C1(NCCNC1=O)C2=CC=CC=C2 MCULE-7813985484 [1,0,0,0,0,0|2,0,1]=4 43 B14R2.24 CC1CCNCC1C2=CC=CC=C2 MCULE-6494947862 [1,0,0,0,0,0|3,0,0]=4 44 B14R2.24 CC1CCNCC1C2=CC=CC=C2 MCULE-7673488701 [1,0,0,0,0,0|3,0,0]=4 45 B14R2.24 CC1CNCCC1C2=CC=CC=C2 MCULE-9757981080 [1,0,0,0,0,0|3,0,0]=4 46 B14R2.24 CC1NCCOC1C2=CC=CC=C2 MCULE-3684334876 [1,0,0,0,0,0|0,0,0]=1 47 B14R2.24 CC1SCCNC1C2=CC=CC=C2 MCULE-6445282644 [1,0,0,0,0,0|2,0,0]=3 48 B14R2.24 C[C@@H]1COCO[C@@H]1C2=CC=CC=C2 MCULE-8555657825 [1,0,0,0,0,0|2,0,0]=3 49 B14R2.24 C[C@@H]1NCCOC1C2=CC=CC=C2 MCULE-4218904943 [1,0,0,0,0,0|0,0,0]=1 50 B14R2.24 C[C@@H]1NCCOC1C2=CC=CC=C2 MCULE-7762593225 [1,0,0,0,0,0|0,0,0]=1 51 B14R2.24 NC1CCCCC1C2=CC=CC=C2 MCULE-7985714463 [1,0,0,0,0,0|3,0,0]=4 52 B14R2.24 N[C@@H]1CCCC[C@H]1C2=CC=CC=C2 MCULE-6329655772 [1,0,0,0,0,0|3,0,0]=4 53 B14R2.24 N[C@H]1CCCN[C@H]1C2=CC=CC=C2 MCULE-4814544173 [1,0,0,0,0,0|3,0,0]=4 54 B14R2.24 O=C1NCCCC1C2=CC=CC=C2 MCULE-4427606397 [1,0,0,0,0,0|2,0,1]=4 55 B14R2.24 O=C1NCCNC1C2=CC=CC=C2 MCULE-5320170343 [1,0,0,0,0,0|2,0,1]=4 56 B14R2.24 O=C1NCCN[C@@H]1C2=CC=CC=C2 MCULE-2284000726 [1,0,0,0,0,0|2,0,1]=4 57 B14R2.24 O=C1NCCN[C@@H]1C2=CC=CC=C2 MCULE-5578142496 [1,0,0,0,0,0|2,0,1]=4 58 B14R2.24 O=C1NCCN[C@H]1C2=CC=CC=C2 MCULE-1431317762 [1,0,0,0,0,0|2,0,1]=4 59 B14R2.24 O=C1NCCN[C@H]1C2=CC=CC=C2 MCULE-6289724692 [1,0,0,0,0,0|2,0,1]=4 60 B14R2.24 O=C1NCCSC1C2=CC=CC=C2 MCULE-3152435481 [1,0,0,0,0,0|1,1,1]=4 61 B14R2.24 OC1CCCCC1C2=CC=CC=C2 MCULE-2755072886 [1,0,0,0,0,0|3,0,0]=4 62 B14R2.24 O[C@@H]1CCCC[C@H]1C2=CC=CC=C2 MCULE-6242115476 [1,0,0,0,0,0|3,0,0]=4 63 B14R2.24 O[C@@H]1CCCC[C@H]1C2=CC=CC=C2 MCULE-6927180796 [1,0,0,0,0,0|3,0,0]=4 64 B14R2.24 O[C@H]1CCCC[C@@H]1C2=CC=CC=C2 MCULE-3959292571 [1,0,0,0,0,0|3,0,0]=4 65 B14R2.24 O[C@H]1CCCC[C@@H]1C2=CC=CC=C2 MCULE-5450402774 [1,0,0,0,0,0|3,0,0]=4 66 B16R2.314 CC1C(=O)CCN(C1C2=CC=CC=C2)C MCULE-8775243900 [0,1,0,0,0,0|3,0,0]=4 67 B16R2.314 CC1C(CCN(C1C2=CC=CC=C2)C)O MCULE-8885721850 [0,1,0,0,0,0|3,0,0]=4 68 B16R2.6164 CC1C(OC(=O)CN1C)C2=CC=CC=C2 MCULE-1682538542 [0,1,0,0,0,0|0,0,1]=2 69 B14R1.60 C#CCN(C)C(C)CC1=CC=CC=C1 MCULE-2022038565 [0,0,1,0,0,0|1,0,1]=3 70 B14R1.60 C#CCN(C)C(C)CC1=CC=CC=C1 MCULE-3188554308 [0,0,1,0,0,0|1,0,1]=3 71 B14R1.60 C#CCN(C)C(C)CC1=CC=CN=C1 MCULE-3956627730 [0,0,1,0,0,0|2,0,1]=4 72 B14R1.60 C#CCN(C)[C@@H](C)CC1=CC=CC=C1 MCULE-2742943549 [0,0,1,0,0,0|1,0,1]=3 73 B14R1.60 C#CCN(C)[C@@H](C)CC1=CC=CC=C1 MCULE-8170592065 [0,0,1,0,0,0|1,0,1]=3 74 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 MCULE-1963825720 [0,0,1,0,0,0|1,0,1]=3 75 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 MCULE-6377643584 [0,0,1,0,0,0|1,0,1]=3 76 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 MCULE-6683314612 [0,0,1,0,0,0|1,0,1]=3 77 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 MCULE-8639879864 [0,0,1,0,0,0|1,0,1]=3 78 B14R1.60 CC(CCN)N(C)CC1=CC=CC=C1 MCULE-3203087570 [0,0,1,0,0,0|3,0,0]=4 79 B14R1.60 CN(CCO)C(=O)CC1=CC=CC=C1 MCULE-1022426218 [0,0,1,0,0,0|1,0,1]=3 80 B14R1.60 CN(CCO)C(=O)NC1=CC=CC=C1 MCULE-6479573755 [0,0,1,0,0,0|2,0,1]=4 81 B14R1.60 CN(CCO)C(=S)NC1=CC=CC=C1 MCULE-1914906921 [0,0,1,0,0,0|2,0,1]=4 82 B14R1.85 CC(C(O)C1=CC=CC=C1)N(C)C=O MCULE-3032571951 [0,0,1,0,0,0|1,0,1]=3 83 B14R1.85 CCN(C)C(C)C(O)C1=CC=CC=C1 MCULE-7117362731 [0,0,1,0,0,0|0,0,0]=1 84 B14R1.85 CCN(C)C(C)C(O)C1=CC=CC=C1 MCULE-8617221950 [0,0,1,0,0,0|0,0,0]=1 85 B14R1.85 C[C@@H]([C@@H](O)C1=CC=CC=C1)N(C)N=O MCULE-3250115312 [0,0,1,0,0,0|2,0,0]=3 86 B14R1.121 CCCCNC(CC)C1=CC=CC=C1 MCULE-6064124378 [0,0,1,0,0,0|2,0,0]=3 87 B14R1.716 CCC(C)NCCCC1=CC=CC=C1 MCULE-1286300635 [0,0,1,0,0,0|3,0,0]=4 88 B14R1.716 CCC(C)NCCCC1=CC=CC=C1 MCULE-6147905228 [0,0,1,0,0,0|3,0,0]=4 89 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 MCULE-4062318692 [0,0,1,0,0,0|3,0,0]=4 90 B14R1.716 O=C(CBr)CCOCC1=CC=CC=C1 MCULE-6775073128 [0,0,1,0,0,0|3,0,0]=4 91 B14R1.716 OC[C@@H](O)CCOCC1=CC=CC=C1 MCULE-6314143157 [0,0,1,0,0,0|3,0,0]=4 92 B14R1.716 OC[C@H](O)CCOCC1=CC=CC=C1 MCULE-1207780654 [0,0,1,0,0,0|3,0,0]=4 93 B16R3.1739 NC1C2CCC(C2)C1C3=CC=CC=C3 MCULE-2963191960 [0,0,0,1,0,0|3,0,0]=4 94 B16R3.1739 NC1C2CCC(C2)C1C3=CC=CC=C3 MCULE-5967426777 [0,0,0,1,0,0|3,0,0]=4 95 B14R2.4514 CC1C(=O)CCC1C2=CC=CC=C2 MCULE-3245358588 [0,0,0,0,1,0|2,0,0]=3 96 B14R2.4514 CC1C(=O)NCC1C2=CC=CC=C2 MCULE-1382639212 [0,0,0,0,1,0|3,0,0]=4 97 B13R1.42 CC(CCO)CCC1=CC=CC=C1 MCULE-4902819949 [1,0,1,0,0,0|1,0,0]=3 98 B13R1.42 CC(CCO)NCC1=CC=CC=C1 MCULE-2559647564 [1,0,1,0,0,0|2,0,0]=4 99 B13R1.42 CC(CCO)OCC1=CC=CC=C1 MCULE-7616118994 [1,0,1,0,0,0|2,0,0]=4 100 B13R1.42 CN(CCN)CCC1=CC=CC=C1 MCULE-6664182744 [1,0,1,0,0,0|1,0,0]=3 101 B13R1.44 C#CCNC(C)CC1=CC=CC=C1 MCULE-1120354174 [1,0,1,0,0,0|1,0,1]=4 102 B13R1.44 C#CCN[C@H](C)CC1=CC=CC=C1 MCULE-2848627886 [1,0,1,0,0,0|1,0,1]=4 103 B13R1.44 C#CCN[C@H](C)CC1=CC=CC=C1 MCULE-7891233976 [1,0,1,0,0,0|1,0,1]=4 104 B13R1.44 CCCNC(C)CC1=CC=CC=C1 MCULE-8664334660 [1,0,1,0,0,0|1,0,0]=3 105 B13R1.44 CCCNC(C)CC1=CC=CC=C1 MCULE-8817958524 [1,0,1,0,0,0|1,0,0]=3 106 B13R1.44 CN(CCCO)CC1=CC=CC=C1 MCULE-7191802245 [1,0,1,0,0,0|2,0,0]=4 107 B13R1.44 NC(CCCO)CC1=CC=CC=C1 MCULE-4024748371 [1,0,1,0,0,0|2,0,0]=4 108 B13R1.44 O=C(CC1=CC=CC=C1)NCCO MCULE-5675818960 [1,0,1,0,0,0|1,0,1]=4 109 B13R1.135 CC(CC1=CC=CC=C1)N(C)C=O MCULE-5844710006 [1,0,1,0,0,0|0,0,2]=4 110 B13R1.135 CCC(=O)C(C)CC1=CC=CC=C1 MCULE-6634226495 [1,0,1,0,0,0|2,0,0]=4 111 B13R1.47 CCCC(N)C(O)C1=CC=CC=C1 MCULE-3277704037 [1,0,1,0,0,0|2,0,0]=4 112 B13R1.47 CCNC(C)C(=O)C1=CC=CC=C1 MCULE-4949473766 [1,0,1,0,0,0|0,0,2]=4 113 B13R1.47 CCNC(C)C(=O)C1=CC=CC=C1 MCULE-6743551229 [1,0,1,0,0,0|0,0,2]=4 114 B13R1.152 CC(C(=O)C1=CC=CC=C1)N(C)C MCULE-1179027992 [1,0,1,0,0,0|0,0,2]=4 115 B13R1.152 CC(C(=O)C1=CC=CC=C1)N(C)C MCULE-6397859675 [1,0,1,0,0,0|0,0,2]=4 116 B13R1.152 CC(C(O)C1=CC=CC=C1)N(C)C MCULE-7014415962 [1,0,1,0,0,0|0,0,0]=2 117 B13R1.152 CC(C)C(N)C(O)C1=CC=CC=C1 MCULE-8146067494 [1,0,1,0,0,0|2,0,0]=4 118 B13R1.152 CN(C)C(=O)C(O)C1=CC=CC=C1 MCULE-8871117871 [1,0,1,0,0,0|1,0,1]=4 119 B13R1.152 CN(C)C(=O)[C@H](O)C1=CC=CC=C1 MCULE-6006520685 [1,0,1,0,0,0|1,0,1]=4 120 B13R1.152 CN(C)C(=O)[C@H](O)C1=CC=CC=C1 MCULE-9947992205 [1,0,1,0,0,0|1,0,1]=4 121 B13R1.24 CC(OCCCN)C1=CC=CC=C1 MCULE-4762195303 [1,0,1,0,0,0|2,0,0]=4 122 B13R1.24 CCCCNC(C)C1=CC=CC=C1 MCULE-1129178205 [1,0,1,0,0,0|2,0,0]=4 123 B13R1.24 CCCCNC(C)C1=CC=CC=C1 MCULE-1434309674 [1,0,1,0,0,0|2,0,0]=4 124 B13R1.24 COCCNC(C)C1=CC=CC=C1 MCULE-6674569644 [1,0,1,0,0,0|2,0,0]=4 125 B13R1.26 CCC(NCCO)C1=CC=CC=C1 MCULE-8089857179 [1,0,1,0,0,0|2,0,0]=4 126 B13R1.26 CCC(OCCBr)C1=CC=CC=C1 MCULE-3309831403 [1,0,1,0,0,0|1,0,0]=3 127 B13R1.26 CCC(OCCN)C1=CC=CC=C1 MCULE-3106851578 [1,0,1,0,0,0|0,0,0]=2 128 B13R1.26 CCC(OCCO)C1=CC=CC=C1 MCULE-8858125723 [1,0,1,0,0,0|1,0,0]=3 129 B13R1.26 CCCNC(CC)C1=CC=CC=C1 MCULE-6194463648 [1,0,1,0,0,0|1,0,0]=3 130 B13R1.26 CCN(CCCN)C1=CC=CC=C1 MCULE-3625466814 [1,0,1,0,0,0|2,0,0]=4 131 B13R1.26 CCNCC(CC)C1=CC=CC=C1 MCULE-6524482026 [1,0,1,0,0,0|2,0,0]=4 132 B13R1.26 CNC(CCOC)C1=CC=CC=C1 MCULE-9456488284 [1,0,1,0,0,0|2,0,0]=4 133 B13R1.26 NCC(OCCO)C1=CC=CC=C1 MCULE-2722455628 [1,0,1,0,0,0|2,0,0]=4 134 B13R1.398 CCOC(CNC)C1=CC=CC=C1 MCULE-8245366785 [1,0,1,0,0,0|0,0,0]=2 135 B13R1.398 CCOC(OCC)C1=CC=CC=C1 MCULE-6505631563 [1,0,1,0,0,0|2,0,0]=4 136 B13R1.405 CCNC(C1=CN=CC=C1)C(C)C MCULE-1415323300 [1,0,1,0,0,0|2,0,0]=4 137 B13R1.532 CCC(C)C(CO)C1=CC=CC=C1 MCULE-5356854514 [1,0,1,0,0,0|2,0,0]=4 138 B13R1.532 CN[C@@H](C)[C@H](NC)C1=CC=CC=C1 MCULE-4651198591 [1,0,1,0,0,0|1,0,0]=3 139 B13R1.28 BrCCCCOCC1=CC=CC=C1 MCULE-2844010209 [1,0,1,0,0,0|2,0,0]=4 140 B13R1.28 CCCCCCCC1=CC=CC=C1 MCULE-1420418528 [1,0,1,0,0,0|2,0,0]=4 141 B13R1.28 CCCCCNCC1=CC=CC=C1 MCULE-9851883766 [1,0,1,0,0,0|2,0,0]=4 142 B13R1.28 CCCCCSCC1=CC=CC=C1 MCULE-3245663306 [1,0,1,0,0,0|1,1,0]=4 143 B13R1.28 CCCCNOCC1=CC=CC=C1 MCULE-8661808634 [1,0,1,0,0,0|2,0,0]=4 144 B13R1.28 CCNCCNCC1=CC=CC=C1 MCULE-7070751266 [1,0,1,0,0,0|1,0,0]=3 145 B13R1.28 CCOCCNCC1=CC=CC=C1 MCULE-4884507006 [1,0,1,0,0,0|2,0,0]=4 146 B13R1.28 CCOCCSCC1=CC=CC=C1 MCULE-5692118537 [1,0,1,0,0,0|1,1,0]=4 147 B13R1.28 CNCCCOCC1=CC=CC=C1 MCULE-8174605005 [1,0,1,0,0,0|2,0,0]=4 148 B13R1.28 ICCCCOCC1=CC=CC=C1 MCULE-6984529666 [1,0,1,0,0,0|2,0,0]=4 149 B13R1.28 NCCCCOCC1=CC=CC=C1 MCULE-1760628040 [1,0,1,0,0,0|2,0,0]=4 150 B13R1.28 OCCCCOCC1=CC=CC=C1 MCULE-2756359294 [1,0,1,0,0,0|2,0,0]=4 151 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 MCULE-2004419521 [1,0,1,0,0,0|2,0,0]=4 152 B13R1.337 CC(C)CCNCC1=CC=CC=C1 MCULE-2249733462 [1,0,1,0,0,0|2,0,0]=4 153 B13R1.337 CC(C)CCNCC1=CC=CC=C1 MCULE-3567332881 [1,0,1,0,0,0|2,0,0]=4 154 B13R1.337 CC(C)CCOCC1=CC=CC=C1 MCULE-2963040445 [1,0,1,0,0,0|1,0,0]=3 155 B13R1.337 CC(N)CCOCC1=CC=CC=C1 MCULE-5607464038 [1,0,1,0,0,0|2,0,0]=4 156 B13R1.337 CC(O)CCOCC1=CC=CC=C1 MCULE-6076752196 [1,0,1,0,0,0|2,0,0]=4 157 B13R1.337 CN(C)CCNCC1=CC=CC=C1 MCULE-4110797432 [1,0,1,0,0,0|1,0,0]=3 158 B13R1.337 CN(C)CCNCC1=CC=CC=C1 MCULE-4280889991 [1,0,1,0,0,0|1,0,0]=3 159 B13R1.337 CN(C)CCNCC1=CC=CN=C1 MCULE-6883489039 [1,0,1,0,0,0|2,0,0]=4 160 B13R1.337 CN(C)CCNCC1=CC=NC=C1 MCULE-6974184444 [1,0,1,0,0,0|2,0,0]=4 161 B13R1.337 CN(C)CCNCC1=NC=CC=C1 MCULE-2519650495 [1,0,1,0,0,0|2,0,0]=4 162 B13R1.337 CN(C)CCOCC1=CC=CC=C1 MCULE-1001882833 [1,0,1,0,0,0|0,0,0]=2 163 B13R1.337 CN(C)CCOCC1=CC=CC=C1 MCULE-4113994773 [1,0,1,0,0,0|0,0,0]=2 164 B13R1.713 CN(C)CC(CN)C1=CC=CC=C1 MCULE-6039427858 [1,0,1,0,0,0|2,0,0]=4 165 B13R1.713 CNC(CN(C)C)C1=CC=CC=C1 MCULE-2037190240 [1,0,1,0,0,0|1,0,0]=3 166 B13R1.713 CNC(CN(C)C)C1=CC=CC=C1 MCULE-6389866487 [1,0,1,0,0,0|1,0,0]=3 167 B13R2.3 C1=CC(=CC=N1)C2CCCNC2 MCULE-4811443135 [2,0,0,0,0,0|2,0,0]=4 168 B13R2.3 C1=CC(=CC=N1)C2CCCNC2 MCULE-8869494247 [2,0,0,0,0,0|2,0,0]=4 169 B13R2.3 C1=CC(=CC=N1)C2CNCCN2 MCULE-1661786728 [2,0,0,0,0,0|2,0,0]=4 170 B13R2.3 C1=CC(=CC=N1)C2CNCCN2 MCULE-3273511040 [2,0,0,0,0,0|2,0,0]=4 171 B13R2.3 C1=CC(=CC=N1)C2CNCCO2 MCULE-5064347385 [2,0,0,0,0,0|1,0,0]=3 172 B13R2.3 C1=CC(=CC=N1)C2CNCCO2 MCULE-5864570854 [2,0,0,0,0,0|1,0,0]=3 173 B13R2.3 C1=CC(=CC=N1)[C@@H]2CNCCN2 MCULE-3922315006 [2,0,0,0,0,0|2,0,0]=4 174 B13R2.3 C1=CC(=CC=N1)[C@@H]2CNCCN2 MCULE-8349871693 [2,0,0,0,0,0|2,0,0]=4 175 B13R2.3 C1=CC(=CC=N1)[C@H]2CNCCN2 MCULE-6054108396 [2,0,0,0,0,0|2,0,0]=4 176 B13R2.3 C1=CC(=CC=N1)[C@H]2CNCCN2 MCULE-8843258043 [2,0,0,0,0,0|2,0,0]=4 177 B13R2.3 C1=CC(=CN=C1)C2CCCNC2 MCULE-8236694108 [2,0,0,0,0,0|2,0,0]=4 178 B13R2.3 C1=CC(=CN=C1)C2CCCNC2 MCULE-8976827660 [2,0,0,0,0,0|2,0,0]=4 179 B13R2.3 C1=CC(=CN=C1)C2CNCCN2 MCULE-7412604617 [2,0,0,0,0,0|2,0,0]=4 180 B13R2.3 C1=CC(=CN=C1)C2CNCCS2 MCULE-2414400457 [2,0,0,0,0,0|1,1,0]=4 181 B13R2.3 C1=CC(=NC=N1)C2CNCCO2 MCULE-2239016653 [2,0,0,0,0,0|2,0,0]=4 182 B13R2.3 C1=CC=C(C=C1)C2=CCCNC2 MCULE-3312525096 [2,0,0,0,0,0|1,0,1]=4 183 B13R2.3 C1=CC=C(C=C1)C2=CCCNC2 MCULE-9957876928 [2,0,0,0,0,0|1,0,1]=4 184 B13R2.3 C1=CC=C(C=C1)C2CCCCC2 MCULE-1004797851 [2,0,0,0,0,0|2,0,0]=4 185 B13R2.3 C1=CC=C(C=C1)C2CCCCN2 MCULE-7186372493 [2,0,0,0,0,0|2,0,0]=4 186 B13R2.3 C1=CC=C(C=C1)C2CCCCN2 MCULE-7948982206 [2,0,0,0,0,0|2,0,0]=4 187 B13R2.3 C1=CC=C(C=C1)C2CCCCN2 MCULE-8351203351 [2,0,0,0,0,0|2,0,0]=4 188 B13R2.3 C1=CC=C(C=C1)C2CCCCS2 MCULE-6632161271 [2,0,0,0,0,0|1,1,0]=4 189 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 MCULE-1282028108 [2,0,0,0,0,0|1,0,0]=3 190 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 MCULE-4963638365 [2,0,0,0,0,0|1,0,0]=3 191 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 MCULE-5848270063 [2,0,0,0,0,0|1,0,0]=3 192 B13R2.3 C1=CC=C(C=C1)C2CCOCO2 MCULE-6704696507 [2,0,0,0,0,0|2,0,0]=4 193 B13R2.3 C1=CC=C(C=C1)C2CNCCN2 MCULE-5841257922 [2,0,0,0,0,0|1,0,0]=3 194 B13R2.3 C1=CC=C(C=C1)C2CNCCN2 MCULE-5955034006 [2,0,0,0,0,0|1,0,0]=3 195 B13R2.3 C1=CC=C(C=C1)C2CNCCO2 MCULE-2617001808 [2,0,0,0,0,0|0,0,0]=2 196 B13R2.3 C1=CC=C(C=C1)C2CNCCO2 MCULE-7781797135 [2,0,0,0,0,0|0,0,0]=2 197 B13R2.3 C1=CC=C(C=C1)C2CNCCS2 MCULE-1729203355 [2,0,0,0,0,0|0,1,0]=3 198 B13R2.3 C1=CC=C(C=C1)C2CNCCS2 MCULE-8074427790 [2,0,0,0,0,0|0,1,0]=3 199 B13R2.3 C1=CC=C(C=C1)C2COCCN2 MCULE-5231658652 [2,0,0,0,0,0|2,0,0]=4 200 B13R2.3 C1=CC=C(C=C1)C2COCCN2 MCULE-5988791252 [2,0,0,0,0,0|2,0,0]=4 201 B13R2.3 C1=CC=C(C=C1)C2COCCN2 MCULE-6158368370 [2,0,0,0,0,0|2,0,0]=4 202 B13R2.3 C1=CC=C(C=C1)C2COCCN2 MCULE-6380915960 [2,0,0,0,0,0|2,0,0]=4 203 B13R2.3 C1=CC=C(C=C1)C2COCCN2 MCULE-9060137154 [2,0,0,0,0,0|2,0,0]=4 204 B13R2.3 C1=CC=C(C=C1)C2CSCCN2 MCULE-6952818312 [2,0,0,0,0,0|2,0,0]=4 205 B13R2.3 C1=CC=C(C=C1)C2C[NH2+]CCO2 MCULE-2722289651 [2,0,0,0,0,0|0,0,1]=3 206 B13R2.3 C1=CC=C(C=C1)C2NCCCO2 MCULE-4999666993 [2,0,0,0,0,0|2,0,0]=4 207 B13R2.3 C1=CC=C(C=C1)C2NCCCO2 MCULE-8205147904 [2,0,0,0,0,0|2,0,0]=4 208 B13R2.3 C1=CC=C(C=C1)C2OCCCO2 MCULE-4820127628 [2,0,0,0,0,0|2,0,0]=4 209 B13R2.3 C1=CC=C(C=C1)[C@@H]2CCCCN2 MCULE-3154331778 [2,0,0,0,0,0|2,0,0]=4 210 B13R2.3 C1=CC=C(C=C1)[C@@H]2CCCCN2 MCULE-3997020677 [2,0,0,0,0,0|2,0,0]=4 211 B13R2.3 C1=CC=C(C=C1)[C@@H]2CCCCN2 MCULE-4844585538 [2,0,0,0,0,0|2,0,0]=4 212 B13R2.3 C1=CC=C(C=C1)[C@@H]2CCCCN2 MCULE-6631299685 [2,0,0,0,0,0|2,0,0]=4 213 B13R2.3 C1=CC=C(C=C1)[C@@H]2CCCNC2 MCULE-3853248864 [2,0,0,0,0,0|1,0,0]=3 214 B13R2.3 C1=CC=C(C=C1)[C@@H]2CCCNC2 MCULE-6796720028 [2,0,0,0,0,0|1,0,0]=3 215 B13R2.3 C1=CC=C(C=C1)[C@@H]2CCCNC2 MCULE-7771696030 [2,0,0,0,0,0|1,0,0]=3 216 B13R2.3 C1=CC=C(C=C1)[C@@H]2CNCCN2 MCULE-7207729587 [2,0,0,0,0,0|1,0,0]=3 217 B13R2.3 C1=CC=C(C=C1)[C@@H]2CNCCN2 MCULE-8855176512 [2,0,0,0,0,0|1,0,0]=3 218 B13R2.3 C1=CC=C(C=C1)[C@@H]2CNCCN2 MCULE-9447750095 [2,0,0,0,0,0|1,0,0]=3 219 B13R2.3 C1=CC=C(C=C1)[C@@H]2CNCCO2 MCULE-2265012473 [2,0,0,0,0,0|0,0,0]=2 220 B13R2.3 C1=CC=C(C=C1)[C@@H]2CNCCO2 MCULE-7391020758 [2,0,0,0,0,0|0,0,0]=2 221 B13R2.3 C1=CC=C(C=C1)[C@@H]2COCCN2 MCULE-2338792704 [2,0,0,0,0,0|2,0,0]=4 222 B13R2.3 C1=CC=C(C=C1)[C@@H]2COCCN2 MCULE-6162958302 [2,0,0,0,0,0|2,0,0]=4 223 B13R2.3 C1=CC=C(C=C1)[C@@H]2COCCN2 MCULE-6665665781 [2,0,0,0,0,0|2,0,0]=4 224 B13R2.3 C1=CC=C(C=C1)[C@@H]2COCCN2 MCULE-9944831652 [2,0,0,0,0,0|2,0,0]=4 225 B13R2.3 C1=CC=C(C=C1)[C@H]2CCCCN2 MCULE-1351558643 [2,0,0,0,0,0|2,0,0]=4 226 B13R2.3 C1=CC=C(C=C1)[C@H]2CCCCN2 MCULE-8432037197 [2,0,0,0,0,0|2,0,0]=4 227 B13R2.3 C1=CC=C(C=C1)[C@H]2CCCCN2 MCULE-9314896133 [2,0,0,0,0,0|2,0,0]=4 228 B13R2.3 C1=CC=C(C=C1)[C@H]2CCCNC2 MCULE-1634933660 [2,0,0,0,0,0|1,0,0]=3 229 B13R2.3 C1=CC=C(C=C1)[C@H]2CCCNC2 MCULE-6289859716 [2,0,0,0,0,0|1,0,0]=3 230 B13R2.3 C1=CC=C(C=C1)[C@H]2CCCNC2 MCULE-7231470340 [2,0,0,0,0,0|1,0,0]=3 231 B13R2.3 C1=CC=C(C=C1)[C@H]2CCCNC2 MCULE-8317591277 [2,0,0,0,0,0|1,0,0]=3 232 B13R2.3 C1=CC=C(C=C1)[C@H]2CNCCN2 MCULE-2776121567 [2,0,0,0,0,0|1,0,0]=3 233 B13R2.3 C1=CC=C(C=C1)[C@H]2CNCCN2 MCULE-5772913437 [2,0,0,0,0,0|1,0,0]=3 234 B13R2.3 C1=CC=C(C=C1)[C@H]2CNCCN2 MCULE-8884601404 [2,0,0,0,0,0|1,0,0]=3 235 B13R2.3 C1=CC=C(C=C1)[C@H]2CNCCO2 MCULE-3748407618 [2,0,0,0,0,0|0,0,0]=2 236 B13R2.3 C1=CC=C(C=C1)[C@H]2CNCCO2 MCULE-8238981189 [2,0,0,0,0,0|0,0,0]=2 237 B13R2.3 C1=CC=C(C=C1)[C@H]2CNCCO2 MCULE-9727713428 [2,0,0,0,0,0|0,0,0]=2 238 B13R2.3 C1=CC=C(C=C1)[C@H]2COCCN2 MCULE-1562498771 [2,0,0,0,0,0|2,0,0]=4 239 B13R2.3 C1=CC=C(C=C1)[C@H]2COCCN2 MCULE-5951264891 [2,0,0,0,0,0|2,0,0]=4 240 B13R2.3 C1=CC=C(C=C1)[C@H]2COCCN2 MCULE-6529446142 [2,0,0,0,0,0|2,0,0]=4 241 B13R2.3 C1=CC=C(C=C1)[C@H]2COCCN2 MCULE-6866787977 [2,0,0,0,0,0|2,0,0]=4 242 B13R2.3 C1=CC=C(N=C1)C2CCCNC2 MCULE-1412276698 [2,0,0,0,0,0|2,0,0]=4 243 B13R2.3 C1=CC=C(N=C1)C2CNCCO2 MCULE-4180784411 [2,0,0,0,0,0|1,0,0]=3 244 B13R2.3 C1=CC=C(N=C1)C2CNCCO2 MCULE-5556811670 [2,0,0,0,0,0|1,0,0]=3 245 B13R2.3 C1=CN=C(C=C1)C2CCCNC2 MCULE-4663866973 [2,0,0,0,0,0|2,0,0]=4 246 B13R2.3 C1=CN=C(C=C1)C2CNCCN2 MCULE-4496317696 [2,0,0,0,0,0|2,0,0]=4 247 B13R2.3 C1=CN=C(C=C1)C2CNCCN2 MCULE-9707278111 [2,0,0,0,0,0|2,0,0]=4 248 B13R2.3 C1=CN=C(C=C1)C2CNCCO2 MCULE-9335024138 [2,0,0,0,0,0|1,0,0]=3 249 B13R2.3 C1=CN=C(C=C1)[C@@H]2CNCCN2 MCULE-5063388912 [2,0,0,0,0,0|2,0,0]=4 250 B13R2.3 C1=CN=C(C=C1)[C@@H]2CNCCN2 MCULE-9241961129 [2,0,0,0,0,0|2,0,0]=4 251 B13R2.3 C1=CN=C(C=C1)[C@H]2CCCNC2 MCULE-1199062466 [2,0,0,0,0,0|2,0,0]=4 252 B13R2.3 C1=CN=C(C=C1)[C@H]2CCCNC2 MCULE-4248251914 [2,0,0,0,0,0|2,0,0]=4 253 B13R2.3 C1=CN=C(C=C1)[C@H]2CNCCN2 MCULE-3722867728 [2,0,0,0,0,0|2,0,0]=4 254 B13R2.3 C1=CN=C(C=C1)[C@H]2CNCCN2 MCULE-5018516961 [2,0,0,0,0,0|2,0,0]=4 255 B13R2.3 C1=CN=C(C=N1)C2CNCCO2 MCULE-5372781728 [2,0,0,0,0,0|2,0,0]=4 256 B13R2.3 C1=CN=CC(=C1)C2CNCCN2 MCULE-1415072382 [2,0,0,0,0,0|2,0,0]=4 257 B13R2.3 C1=CN=CC(=C1)C2CNCCO2 MCULE-3083901725 [2,0,0,0,0,0|1,0,0]=3 258 B13R2.3 C1=CN=CC(=C1)C2CNCCO2 MCULE-3796611056 [2,0,0,0,0,0|1,0,0]=3 259 B13R2.3 C1=CN=CC(=C1)C2CNCCO2 MCULE-9251819756 [2,0,0,0,0,0|1,0,0]=3 260 B13R2.3 C1=CN=CC(=C1)[C@@H]2CNCCN2 MCULE-9514167106 [2,0,0,0,0,0|2,0,0]=4 261 B13R2.3 C1=CN=CC(=C1)[C@@H]2CNCCN2 MCULE-9684423103 [2,0,0,0,0,0|2,0,0]=4 262 B13R2.3 C1=CN=CC(=C1)[C@H]2CNCCN2 MCULE-2821728574 [2,0,0,0,0,0|2,0,0]=4 263 B13R2.3 C1=CN=CC(=C1)[C@H]2CNCCN2 MCULE-8667897611 [2,0,0,0,0,0|2,0,0]=4 264 B13R2.3 [C@H]1(CNCCO1)C2=CC=CC=C2 MCULE-3584687549 [2,0,0,0,0,0|0,0,0]=2 265 B15R1.48 C#CCN(C)C(C)CC1=CC=C(C=C1)F MCULE-2806364046 [0,1,1,0,0,0|1,0,1]=4 266 B15R1.48 C#CCN(C)C(C)CC1=CC=C(C=C1)F MCULE-3566148027 [0,1,1,0,0,0|1,0,1]=4 267 B15R1.578 CC(C(O)C1=CC=CC=C1)N(C)CC#N MCULE-1256512482 [0,1,1,0,0,0|1,0,1]=4 268 B15R1.578 C[C@H]([C@H](O)C1=CC=CC=C1)N(C)CC#N MCULE-4564251800 [0,1,1,0,0,0|1,0,1]=4 269 B15R1.578 [C@@H](C)(N(C)CCO)[C@H](O)C1=CC=CC=C1 MCULE-4034611808 [0,1,1,0,0,0|0,0,0]=2 270 B15R1.578 [C@@H](C)(N(C)CCO)[C@H](O)C1=CC=CC=C1 MCULE-8529226962 [0,1,1,0,0,0|0,0,0]=2 271 B15R1.646 CCN(CC)C(=O)C(O)C1=CC=CC=C1 MCULE-2654664986 [0,1,1,0,0,0|1,0,1]=4 272 B15R1.646 CCN(CC)C(=O)[C@@H](O)C1=CC=CC=C1 MCULE-9963657335 [0,1,1,0,0,0|1,0,1]=4 273 B15R1.646 CCN(CC)C(=O)[C@H](O)C1=CC=CC=C1 MCULE-1822785431 [0,1,1,0,0,0|1,0,1]=4 274 B15R1.646 CCN(CC)C(C)C(=O)C1=CC=CC=C1 MCULE-2048650105 [0,1,1,0,0,0|0,0,2]=4 275 B15R1.646 CCN(CC)C(C)C(=O)C1=CC=CC=C1 MCULE-3905795013 [0,1,1,0,0,0|0,0,2]=4 276 B15R1.101 CCCCCC(CC)C1=CC=C(C=C1)O MCULE-3228388372 [0,1,1,0,0,0|2,0,0]=4 277 B15R1.3402 CCCCCC(CC)C1=CC=CC=C1O MCULE-4987980625 [0,1,1,0,0,0|2,0,0]=4 278 B15R1.5331 CN(C)CCSC(CO)C1=CC=CC=C1 MCULE-6372135696 [0,1,1,0,0,0|1,1,0]=4 279 B15R1.3197 CN[C@@H](C)[C@H](OC(=O)C)C1=CC=CC=C1 MCULE-9183071925 [0,1,1,0,0,0|0,0,1]=3 280 B15R1.315 CC(C)(CO)CCOCC1=CC=CC=C1 MCULE-9489806814 [0,1,1,0,0,0|2,0,0]=4 281 B15R1.452 CCN(CC)CC/N=C/C1=CC=CC=C1 MCULE-5036747852 [0,1,1,0,0,0|1,0,1]=4 282 B15R1.452 CCN(CC)CCCNC1=CC=CC=C1 MCULE-8613667383 [0,1,1,0,0,0|2,0,0]=4 283 B15R1.452 CCN(CC)CCCOC1=CC=CC=C1 MCULE-6283832888 [0,1,1,0,0,0|2,0,0]=4 284 B15R1.452 CCN(CC)CCNCC1=CC=CC=C1 MCULE-5767836167 [0,1,1,0,0,0|1,0,0]=3 285 B15R1.452 CCN(CC)CCNCC1=CC=CN=C1 MCULE-5278141277 [0,1,1,0,0,0|2,0,0]=4 286 B15R1.452 CCN(CC)CCNCC1=NC=CC=C1 MCULE-6097727182 [0,1,1,0,0,0|2,0,0]=4 287 B15R1.452 OCC(CO)CCOCC1=CC=CC=C1 MCULE-1138247438 [0,1,1,0,0,0|2,0,0]=4 288 B15R1.778 CCOC(=O)CCOCC1=CC=CC=C1 MCULE-8539996750 [0,1,1,0,0,0|2,0,0]=4 289 B15R1.1321 CCC(=O)[C@@H](C)COCC1=CC=CC=C1 MCULE-1587098838 [0,1,1,0,0,0|2,0,0]=4 290 B15R1.1321 CON(C)C(=O)COCC1=CC=CC=C1 MCULE-6924324440 [0,1,1,0,0,0|1,0,1]=4 291 B15R2.27 C=C1CC(OC(C1)C2=CC=CC=C2)C MCULE-9797852962 [1,1,0,0,0,0|1,0,1]=4 292 B15R2.27 CC1CC(CC(C1)C2=CC=CC=C2)N MCULE-5243619361 [1,1,0,0,0,0|2,0,0]=4 293 B15R2.27 CC1CC(OC(O1)C)C2=CC=CC=C2 MCULE-3872187235 [1,1,0,0,0,0|2,0,0]=4 294 B15R2.27 CN1C[C@@H](C[C@@H](C1)C2=CC=CC=C2)N MCULE-6944593120 [1,1,0,0,0,0|1,0,0]=3 295 B15R2.28 CC1=CC=C(C=C1)C2CC(CCO2)O MCULE-6125386271 [1,1,0,0,0,0|2,0,0]=4 296 B15R2.28 CC1=CC=C(N=C1)C2CCCN(C2)C MCULE-9130563570 [1,1,0,0,0,0|2,0,0]=4 297 B15R2.28 CN1CCCC(C1)C2=CC=C(C=C2)Br MCULE-8635659972 [1,1,0,0,0,0|1,0,0]=3 298 B15R2.28 CN1CCCC(C1)C2=CC=C(C=C2)Br MCULE-9958105189 [1,1,0,0,0,0|1,0,0]=3 299 B15R2.28 CN1CCCC(C1)C2=NC=C(C=C2)Br MCULE-6589639390 [1,1,0,0,0,0|2,0,0]=4 300 B15R2.28 CN1CCCC(C1)C2=NC=C(C=C2)Br MCULE-9580997935 [1,1,0,0,0,0|2,0,0]=4 301 B15R2.28 CN1CCOC(C1)C2=NC=C(C=C2)Br MCULE-5516025426 [1,1,0,0,0,0|1,0,0]=3 302 B15R2.28 CN1CCOC(C1)C2=NC=C(C=C2)Br MCULE-8828942202 [1,1,0,0,0,0|1,0,0]=3 303 B15R2.28 NC1CCOC(C1)C2=CC=C(C=C2)F MCULE-7544914396 [1,1,0,0,0,0|2,0,0]=4 304 B15R2.28 NC1CCOC(C1)C2=CC=C(C=C2)F MCULE-9719464183 [1,1,0,0,0,0|2,0,0]=4 305 B15R2.28 O=C1CCOC(C1)C2=CC=C(C=C2)F MCULE-3339392888 [1,1,0,0,0,0|2,0,0]=4 306 B15R2.30 CC1=CC(=CC=C1)C2CCCC(C2)C MCULE-2809008535 [1,1,0,0,0,0|2,0,0]=4 307 B15R2.30 CN1CCCC(C1)C2=CC=CC(=N2)Br MCULE-9863302047 [1,1,0,0,0,0|2,0,0]=4 308 B15R2.30 CN1CCOC(C1)C2=NC(=CC=C2)Br MCULE-2290376603 [1,1,0,0,0,0|1,0,0]=3 309 B15R2.30 CN1CCOC(C1)C2=NC(=CC=C2)Br MCULE-3731676471 [1,1,0,0,0,0|1,0,0]=3 310 B15R2.30 NC1CCOC(C1)C2=CC(=CC=C2)Br MCULE-3478639451 [1,1,0,0,0,0|2,0,0]=4 311 B15R2.30 NC1CCOC(C1)C2=CC(=CC=C2)Br MCULE-3661323194 [1,1,0,0,0,0|2,0,0]=4 312 B15R2.30 N[C@@H]1CCO[C@@H](C1)C2=CC(=CC=C2)Br MCULE-2761355814 [1,1,0,0,0,0|2,0,0]=4 313 B15R2.30 N[C@@H]1CCO[C@@H](C1)C2=CC(=CC=C2)Br MCULE-6918050944 [1,1,0,0,0,0|2,0,0]=4 314 B15R2.33 CN1CCC(=O)C(C1)C2=CC=CC=C2 MCULE-1821811027 [1,1,0,0,0,0|1,0,0]=3 315 B15R2.332 CC1=CC=CC=C1C2CCCC(C2)C MCULE-8687816020 [1,1,0,0,0,0|2,0,0]=4 316 B15R2.1113 CC1CCCC(C1)(O)C2=CC=CC=C2 MCULE-3542493915 [1,1,0,0,0,0|2,0,0]=4 317 B15R2.21 CCC1NCCOC1C2=CC=CC=C2 MCULE-2706109530 [1,1,0,0,0,0|0,0,0]=2 318 B15R2.21 CCC1NCCOC1C2=CC=CC=C2 MCULE-2997376341 [1,1,0,0,0,0|0,0,0]=2 319 B15R2.21 CNC1CCCCC1C2=CC=CC=C2 MCULE-5027186563 [1,1,0,0,0,0|2,0,0]=4 320 B15R2.21 NCC1CCCCC1C2=CC=CC=C2 MCULE-7259520721 [1,1,0,0,0,0|2,0,0]=4 321 B15R2.21 NCC1CCCOC1C2=CC=CC=C2 MCULE-3450705292 [1,1,0,0,0,0|1,0,0]=3 322 B15R2.21 OCC1NCCOC1C2=CC=CC=C2 MCULE-5877680065 [1,1,0,0,0,0|0,0,0]=2 323 B15R2.21 OC[C@H]1OCCN[C@@H]1C2=CC=CC=C2 MCULE-4582037956 [1,1,0,0,0,0|2,0,0]=4 324 B15R2.308 CC1=CC=C(C=C1)C2CCCCC2C MCULE-6753595076 [1,1,0,0,0,0|2,0,0]=4 325 B15R2.308 CC1=CC=C(C=C1)C2NCCCC2C MCULE-9246323405 [1,1,0,0,0,0|2,0,0]=4 326 B15R2.308 CC1=CC=C(C=C1)C2OCCNC2=O MCULE-7449668786 [1,1,0,0,0,0|1,0,1]=4 327 B15R2.308 CC1=CC=C(C=C1)C2OCCNC2C MCULE-5785345859 [1,1,0,0,0,0|0,0,0]=2 328 B15R2.308 CC1=CC=C(C=C1)C2OCCNC2C MCULE-9276112718 [1,1,0,0,0,0|0,0,0]=2 329 B15R2.308 C[C@@H]1NCCO[C@@H]1C2=CC=C(C=C2)Br MCULE-3392538677 [1,1,0,0,0,0|0,0,0]=2 330 B15R2.308 N[C@@H]1CCCO[C@H]1C2=CC=C(C=C2)Cl MCULE-5975450840 [1,1,0,0,0,0|2,0,0]=4 331 B15R2.308 N[C@@H]1CCCO[C@H]1C2=CC=C(C=C2)Cl MCULE-6879849280 [1,1,0,0,0,0|2,0,0]=4 332 B15R2.308 O=C1NCCOC1C2=CC=C(C=C2)Br MCULE-8046275286 [1,1,0,0,0,0|1,0,1]=4 333 B15R2.389 CC1COC(C(N1)C)C2=CC=CC=C2 MCULE-4701719569 [1,1,0,0,0,0|0,0,0]=2 334 B15R2.389 CC1COC(C(N1)C)C2=CC=CC=C2 MCULE-8804594867 [1,1,0,0,0,0|0,0,0]=2 335 B15R2.555 O=C1NCCOC1C2=C(C=CC=C2)Cl MCULE-4922301459 [1,1,0,0,0,0|1,0,1]=4 336 B15R2.321 CC1C(NC(=O)N1C)C2=CC=CC=C2 MCULE-2841377124 [0,1,0,0,1,0|1,0,1]=4 337 B15R2.321 C[C@@H]1[C@@H](NC(=O)N1C)C2=CC=CC=C2 MCULE-6047394898 [0,1,0,0,1,0|1,0,1]=4 338 B17R2.63787 CCN1CCOC(C1C)(O)C2=CC=CC=C2 MCULE-5634461343 [0,2,0,0,0,0|0,0,0]=2 339 B17R2.63787 CCN1CCOC(C1C)(O)C2=CC=CC=C2 MCULE-9963294305 [0,2,0,0,0,0|0,0,0]=2 340 B17R2.20532 CC1OC(C(C(O1)C2=C(C=CC=C2)O)C)C MCULE-6963468334 [0,2,0,0,0,0|2,0,0]=4 341 B15R2.38 CN1CCNCC1CC2=CC=CC=C2 MCULE-1570531676 [0,0,1,1,0,0|1,0,0]=3 342 B15R2.38 CN1CCNCC1CC2=CC=CC=C2 MCULE-4056485621 [0,0,1,1,0,0|1,0,0]=3 343 B15R2.45 OCCC1CCN1CC2=CC=CC=C2 MCULE-2701677144 [0,0,1,1,0,0|2,0,0]=4 344 B15R2.45 OCC[C@@H]1CCN1CC2=CC=CC=C2 MCULE-6903717035 [0,0,1,1,0,0|2,0,0]=4 345 B15R2.45 OCC[C@H]1CCN1CC2=CC=CC=C2 MCULE-8619657545 [0,0,1,1,0,0|2,0,0]=4 346 B15R2.1342 CN(CCN)C1CC1C2=CC=CC=C2 MCULE-4900379364 [0,0,1,1,0,0|1,0,0]=3 347 B15R2.1 CNC1CCN(CC1)C2=CC=CC=C2 MCULE-7719356143 [0,0,1,1,0,0|2,0,0]=4 348 B15R2.1 CNC1CCN(CC1)C2=CC=CC=C2 MCULE-9739554768 [0,0,1,1,0,0|2,0,0]=4 349 B15R2.66 CNCC1CCN(C1)C2=CC=CC=C2 MCULE-2389215894 [0,0,1,1,0,0|2,0,0]=4 350 B15R2.66 CNCC1CCN(C1)C2=CC=CC=C2 MCULE-7568394818 [0,0,1,1,0,0|2,0,0]=4 351 B15R2.548 CC1CCOC(CN1)C2=CC=CC=C2 MCULE-2767771095 [0,0,1,1,0,0|2,0,0]=4 352 B15R2.2169 C1=CC=C(C=C1)B2OCCNCCO2 MCULE-2762030923 [0,0,1,1,0,0|2,0,0]=4 353 B15R2.4980 OCC1(CCCNC1)C2=CC=CC=C2 MCULE-4296688533 [0,0,1,1,0,0|2,0,0]=4 354 B15R2.4980 OCC1(CCCNC1)C2=CC=CC=C2 MCULE-7389547495 [0,0,1,1,0,0|2,0,0]=4 355 B15R2.79765 CNC(=O)C1OCCC2=CC=CC=C12 MCULE-2623284790 [0,0,1,1,0,0|1,0,1]=4 356 B15R2.29 CC1CCN(CC1)CC2=CC=CC=C2 MCULE-3572723443 [0,0,1,1,0,0|2,0,0]=4 357 B15R2.29 CC1CCN(CC1)CC2=CC=CC=C2 MCULE-6144982757 [0,0,1,1,0,0|2,0,0]=4 358 B15R2.29 CN1CCC(CC1)NC2=CC=CC=C2 MCULE-3994456249 [0,0,1,1,0,0|2,0,0]=4 359 B15R2.29 CN1CCN(CC1)CC2=CC=CC=C2 MCULE-4085497176 [0,0,1,1,0,0|1,0,0]=3 360 B15R2.29 CN1CCN(CC1)CC2=CC=CC=C2 MCULE-6091263016 [0,0,1,1,0,0|1,0,0]=3 361 B15R2.29 CN1CCN(CC1)CC2=CC=CC=C2 MCULE-8823740938 [0,0,1,1,0,0|1,0,0]=3 362 B15R2.29 CN1CCN(CC1)CC2=CC=CN=C2 MCULE-3421906053 [0,0,1,1,0,0|2,0,0]=4 363 B15R2.29 NN1CCN(CC1)CC2=CC=CC=C2 MCULE-8703923173 [0,0,1,1,0,0|2,0,0]=4 364 B15R2.29 NN1CCN(CC1)CC2=CC=CC=C2 MCULE-8940640418 [0,0,1,1,0,0|2,0,0]=4 365 B15R2.29 [NH+]1(CCN(CC1)CC2=CC=CC=C2)C MCULE-9741570389 [0,0,1,1,0,0|1,0,1]=4 366 B15R2.122 OC[C@@H]1C[C@@H]1COCC2=CC=CC=C2 MCULE-4643934940 [0,0,1,1,0,0|2,0,0]=4 367 B15R2.122 OC[C@@H]1C[C@H]1COCC2=CC=CC=C2 MCULE-5421291411 [0,0,1,1,0,0|2,0,0]=4 368 B15R2.122 OC[C@H]1C[C@H]1COCC2=CC=CC=C2 MCULE-2469422600 [0,0,1,1,0,0|2,0,0]=4 369 B15R2.283 O=C1CCC(C1)OCC2=CC=CC=C2 MCULE-5922744571 [0,0,1,1,0,0|2,0,0]=4 370 B15R2.283 OC1CCC(C1)OCC2=CC=CC=C2 MCULE-8552327258 [0,0,1,1,0,0|2,0,0]=4 371 B15R2.283 O[C@@H]1CC[C@@H](C1)OCC2=CC=CC=C2 MCULE-7260748228 [0,0,1,1,0,0|2,0,0]=4 372 B15R2.283 O[C@@H]1CC[C@H](C1)OCC2=CC=CC=C2 MCULE-5866818837 [0,0,1,1,0,0|2,0,0]=4 373 B15R2.283 O[C@@H]1CC[C@H](C1)OCC2=CC=CC=C2 MCULE-7366124336 [0,0,1,1,0,0|2,0,0]=4 374 B15R2.283 O[C@H]1CC[C@H](C1)OCC2=CC=CC=C2 MCULE-3138835211 [0,0,1,1,0,0|2,0,0]=4 375 B15R2.283 O[C@H]1CC[C@H](C1)OCC2=CC=CC=C2 MCULE-3681764120 [0,0,1,1,0,0|2,0,0]=4 376 B15R2.283 O[C@H]1CC[C@H](C1)OCC2=CC=CC=C2 MCULE-5401907527 [0,0,1,1,0,0|2,0,0]=4 377 B15R2.342 O=C1CCC1COCC2=CC=CC=C2 MCULE-4706736057 [0,0,1,1,0,0|2,0,0]=4 378 B15R2.342 OC1CCC1COCC2=CC=CC=C2 MCULE-6874603030 [0,0,1,1,0,0|2,0,0]=4 379 B15R2.342 O[C@H]1CC[C@@H]1COCC2=CC=CC=C2 MCULE-3893676109 [0,0,1,1,0,0|2,0,0]=4 380 B15R2.1995 BrCC1CC(C1)OCC2=CC=CC=C2 MCULE-3469578019 [0,0,1,1,0,0|2,0,0]=4 381 B15R2.1995 NCC1CC(C1)OCC2=CC=CC=C2 MCULE-1564986526 [0,0,1,1,0,0|2,0,0]=4 382 B15R2.1995 NCC1CC(C1)OCC2=CC=CC=C2 MCULE-7771272079 [0,0,1,1,0,0|2,0,0]=4 383 B15R2.1995 OCC1CC(C1)OCC2=CC=CC=C2 MCULE-5333865004 [0,0,1,1,0,0|2,0,0]=4 384 B15R2.1995 OC[C@H]1C[C@@H](C1)OCC2=CC=CC=C2 MCULE-5906782414 [0,0,1,1,0,0|2,0,0]=4 385 B15R2.1995 OC[C@H]1C[C@H](C1)OCC2=CC=CC=C2 MCULE-8441709699 [0,0,1,1,0,0|2,0,0]=4 386 B15R2.7945 NC1(CC1)CCOCC2=CC=CC=C2 MCULE-8084140270 [0,0,1,1,0,0|2,0,0]=4 387 B15R2.27836 C1=CC=C(C=C1)COCCC2COC2 MCULE-3578267034 [0,0,1,1,0,0|2,0,0]=4 388 B15R2.63 CN(C)C1CCNC1C2=CC=CC=C2 MCULE-1541247316 [0,0,1,1,0,0|1,0,0]=3 389 B15R2.63 CN(C)C1CCNC1C2=CC=CC=C2 MCULE-2935501229 [0,0,1,1,0,0|1,0,0]=3 390 B15R2.63 CN(C)C1CNCC1C2=CC=CC=C2 MCULE-1066227358 [0,0,1,1,0,0|2,0,0]=4 391 B15R2.63 CN(C)C1CNCC1C2=CC=CC=C2 MCULE-4984071283 [0,0,1,1,0,0|2,0,0]=4 392 B15R3.3 C1=CC2=C(C=C1)C3OCOCC3C2 MCULE-3843167560 [1,0,0,1,0,0|2,0,0]=4 393 B17R3.34483 CC1OC(C2CC3=C(C2O1)C=CC=C3)C MCULE-4924209242 [0,1,0,1,0,0|2,0,0]=4 394 B13R1.718 CC(CBr)COCC1=CC=CC=C1 MCULE-9857070830 [0,0,1,0,1,0|2,0,0]=4 395 B13R1.718 CC(CN)COCC1=CC=CC=C1 MCULE-2203724625 [0,0,1,0,1,0|2,0,0]=4 396 B13R1.718 CC(CN)COCC1=CC=CC=C1 MCULE-8037714818 [0,0,1,0,1,0|2,0,0]=4 397 B13R1.718 CC(CO)COCC1=CC=CC=C1 MCULE-3688919678 [0,0,1,0,1,0|2,0,0]=4 398 B13R1.718 CCC(=O)CCCC1=CC=CC=C1 MCULE-2242431944 [0,0,1,0,1,0|2,0,0]=4 399 B13R1.718 CCC(=O)COCC1=CC=CC=C1 MCULE-2942555255 [0,0,1,0,1,0|2,0,0]=4 400 B13R1.718 CCC(C)NCCC1=CC=CC=C1 MCULE-4385858609 [0,0,1,0,1,0|2,0,0]=4 401 B13R1.718 CCC(C)NCCC1=CC=CC=C1 MCULE-6689510528 [0,0,1,0,1,0|2,0,0]=4 402 B13R1.718 CC[C@@H](N)COCC1=CC=CC=C1 MCULE-9921880331 [0,0,1,0,1,0|2,0,0]=4 403 B13R1.718 C[C@@H](CO)COCC1=CC=CC=C1 MCULE-7372208185 [0,0,1,0,1,0|2,0,0]=4 404 B13R2.10 CC1CC(CN1)C2=CC=CC=C2 MCULE-6135649392 [1,0,0,0,1,0|2,0,0]=4 405 B13R2.10 CC1CCC(N1)C2=CC=CC=C2 MCULE-6334712438 [1,0,0,0,1,0|2,0,0]=4 406 B13R2.10 CC1CNC(C1)C2=CC=CC=C2 MCULE-7828370213 [1,0,0,0,1,0|2,0,0]=4 407 B13R2.10 CC1COC(O1)C2=CC=CC=C2 MCULE-3063655897 [1,0,0,0,1,0|2,0,0]=4 408 B13R2.10 CN1CC=C(C1)C2=CC=CC=C2 MCULE-3431082115 [1,0,0,0,1,0|0,0,2]=4 409 B13R2.10 CN1CC=C(C1)C2=CC=CC=C2 MCULE-8647867463 [1,0,0,0,1,0|0,0,2]=4 410 B13R2.10 CN1CCC(C1)C2=CC=CC=C2 MCULE-8183425490 [1,0,0,0,1,0|0,0,0]=2 411 B13R2.10 C[C@H]1CCC(N1)C2=CC=CC=C2 MCULE-1669726053 [1,0,0,0,1,0|2,0,0]=4 412 B13R2.10 C[C@H]1CCC(N1)C2=CC=CC=C2 MCULE-9815558661 [1,0,0,0,1,0|2,0,0]=4 413 B13R2.10 NC1CCC(C1)C2=CC=CC=C2 MCULE-1877409882 [1,0,0,0,1,0|2,0,0]=4 414 B13R2.10 NC1CCC(C1)C2=CC=CC=C2 MCULE-8134287601 [1,0,0,0,1,0|2,0,0]=4 415 B13R2.10 O=C1CCC(C1)C2=CC=CC=C2 MCULE-4427115430 [1,0,0,0,1,0|2,0,0]=4 416 B13R2.10 O=C1CC[C@@H](C1)C2=CC=CC=C2 MCULE-7086920022 [1,0,0,0,1,0|2,0,0]=4 417 B13R2.10 O=C1CC[C@H](C1)C2=CC=CC=C2 MCULE-6855815517 [1,0,0,0,1,0|2,0,0]=4 418 B13R2.10 O=C1CC[C@H](C1)C2=CC=CC=C2 MCULE-9485418233 [1,0,0,0,1,0|2,0,0]=4 419 B13R2.10 OC1CCC(C1)C2=CC=CC=C2 MCULE-4364661007 [1,0,0,0,1,0|2,0,0]=4 420 B13R2.10 OC1COC(C1)C2=CC=CC=C2 MCULE-7655203806 [1,0,0,0,1,0|2,0,0]=4 421 B13R2.13 CN1CCNC(C1)C2=CC=CS2 MCULE-1295002045 [1,0,0,0,1,0|2,0,0]=4 422 B13R2.15 CC1CCCC1C2=CC=CC=C2 MCULE-4198597257 [1,0,0,0,1,0|2,0,0]=4 423 B13R2.15 CC1CCNC1C2=CC=CC=C2 MCULE-3429456936 [1,0,0,0,1,0|2,0,0]=4 424 B13R2.15 CN1CCCC1C2=CC=CN=C2 MCULE-2181330564 [1,0,0,0,1,0|2,0,0]=4 425 B13R2.15 CN1CCCC1C2=CN=CC=C2 MCULE-5830857858 [1,0,0,0,1,0|2,0,0]=4 426 B13R2.15 CN1CCC[C@@H]1C2=CC=CN=C2 MCULE-7230920484 [1,0,0,0,1,0|2,0,0]=4 427 B13R2.15 CN1CCC[C@H]1C2=CC=CN=C2 MCULE-5463946437 [1,0,0,0,1,0|2,0,0]=4 428 B13R2.15 CN1CCC[C@H]1C2=CC=CN=C2 MCULE-9712081586 [1,0,0,0,1,0|2,0,0]=4 429 B13R2.15 CN1CCNC1C2=CC=NC=C2 MCULE-1027702957 [1,0,0,0,1,0|2,0,0]=4 430 B13R2.15 N[C@@H]1CCO[C@@H]1C2=CC=CC=C2 MCULE-6440453556 [1,0,0,0,1,0|2,0,0]=4 431 B13R2.15 [C@H]1(CCCN1C)C2=CN=CC=C2 MCULE-8728421654 [1,0,0,0,1,0|2,0,0]=4 432 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 MCULE-2496092574 [0,0,0,0,2,0|2,0,0]=4 433 B15R1.826 CN(CCO)C(=O)OCC1=CC=CC=C1 MCULE-6640361504 [0,0,1,0,0,1|1,0,1]=4 434 B15R2.31 CN1CCNC(C1)CC2=CC=CC=C2 MCULE-7096007232 [1,0,0,0,0,1|1,0,0]=3 435 B15R2.31 CN1CCNC(C1)CC2=CC=CC=C2 MCULE-9473206212 [1,0,0,0,0,1|1,0,0]=3 436 B15R2.31 CN1CCN[C@@H](C1)CC2=CC=CC=C2 MCULE-7996784882 [1,0,0,0,0,1|1,0,0]=3 437 B15R2.31 CN1CCN[C@@H](C1)CC2=CC=CC=C2 MCULE-8523388301 [1,0,0,0,0,1|1,0,0]=3 438 B15R2.31 CN1CCN[C@@H](C1)CC2=CC=CC=C2 MCULE-9013556329 [1,0,0,0,0,1|1,0,0]=3 439 B15R2.31 CN1CCN[C@H](C1)CC2=CC=CC=C2 MCULE-1994606386 [1,0,0,0,0,1|1,0,0]=3 440 B15R2.31 CN1CCN[C@H](C1)CC2=CC=CC=C2 MCULE-2222737729 [1,0,0,0,0,1|1,0,0]=3 441 B15R2.31 CN1CCN[C@H](C1)CC2=CC=CC=C2 MCULE-2272703179 [1,0,0,0,0,1|1,0,0]=3 442 B15R2.31 CN1CCN[C@H](C1)CC2=CC=CC=C2 MCULE-6469865199 [1,0,0,0,0,1|1,0,0]=3 443 B15R2.543 CN1CCCNC(C1)C2=CC=CC=C2 MCULE-2793501361 [1,0,0,0,0,1|1,0,0]=3 444 B15R2.543 CN1CCCNC(C1)C2=CC=CC=C2 MCULE-8126712461 [1,0,0,0,0,1|1,0,0]=3