0 B9R1.34 CB1OB(OB(O1)C)C MCULE-1754426431 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.34 CC1CC(=O)CC(O1)C MCULE-3466195629 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.34 CC1CC(CC(C1)I)C MCULE-7301496486 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.34 CC1CC(CC(C1)N)C MCULE-9414280456 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.34 CC1CC(CC(C1)O)C MCULE-5050137682 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.34 CC1CC(CC(N1)C)N MCULE-6636033754 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.34 CC1CC(CC(N1)C)O MCULE-8501155054 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.34 CC1CC(CC(N1)C)O MCULE-9792793633 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.34 CC1CC(CC(O1)C)N MCULE-1411888636 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.34 CC1CC(CC(O1)C)O MCULE-6800301090 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.34 CC1CC(NC(C1)C)C MCULE-3818865242 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.34 CC1CC(NC(C1)C)C MCULE-6424784249 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.34 CC1CN(CC(N1)C)C MCULE-6645813843 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.34 CC1C[C@@H](N[C@@H](C1)C)C MCULE-2478664228 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.34 CC1C[C@@H](N[C@@H](C1)C)C MCULE-9781173688 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.34 CC1NC(SC(S1)C)C MCULE-3158830485 [0,0,0,0,0,0|1,2,0]=3 16 B9R1.34 C[C@@H]1CC(=O)C[C@H](O1)C MCULE-7023432709 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.34 C[C@@H]1CC(C[C@H](N1)C)O MCULE-2538025513 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.34 C[C@@H]1CC(C[C@H](N1)C)O MCULE-8633121448 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.34 C[C@@H]1CC(C[C@H](O1)C)N MCULE-9882917405 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.34 C[C@H]1CC(=O)C[C@H](O1)C MCULE-6710108830 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.34 C[C@H]1CC(C[C@@H](O1)C)N MCULE-8190565336 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.34 C[C@H]1C[C@@H](C[C@H](O1)C)N MCULE-6193156642 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.34 C[C@H]1C[C@H](C[C@H](O1)C)N MCULE-8355560111 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.34 C[C@H]1C[C@H](C[C@H](O1)C)O MCULE-3661941188 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.4 CC1CC(CCO1)N MCULE-6804148880 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.4 CC1CC(CCO1)N MCULE-8648516718 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.4 CC1CC(CCO1)O MCULE-4865141445 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.4 CC1CCCC(C1)C MCULE-4586744389 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.4 CC1CCCC(N1)C MCULE-1701252671 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.4 CC1CCCC(N1)C MCULE-3781585788 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.4 CC1CCC[C@@H](N1)C MCULE-6717885612 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.4 CC1CCC[C@@H](N1)C MCULE-8850784160 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.4 CC1CCC[C@H](N1)C MCULE-3950492914 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.4 CC1CCC[C@H](N1)C MCULE-6363665850 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.4 CC1CCNC(C1)C MCULE-8040810294 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.4 CC1CCNC(C1)C MCULE-8404028981 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.4 CC1CCOB(O1)O MCULE-4196565139 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.4 CC1CCOC(O1)C MCULE-1813287934 [1,0,0,0,0,0|1,0,0]=2 40 B8R1.4 CC1CCOS(=O)O1 MCULE-8688981983 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.4 CC1CNCC(O1)C MCULE-1246186846 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.4 CC1CNCC(O1)C MCULE-4536319828 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.4 C[C@@H]1CCC[C@H](C1)C MCULE-3238245504 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.4 C[C@@H]1CCC[C@H](C1)C MCULE-5078558305 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.4 C[C@@H]1CCC[C@H](N1)C MCULE-3698881454 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.4 C[C@@H]1CCC[C@H](N1)C MCULE-9551065058 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.4 C[C@@H]1CCN[C@@H](C1)C MCULE-1028257294 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.4 C[C@@H]1CCN[C@@H](C1)C MCULE-6672836947 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.4 C[C@@H]1CNC[C@H](O1)C MCULE-8338777291 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.4 C[C@@H]1CNC[C@H](O1)C MCULE-9597572516 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-5401313109 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-6369939467 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.4 C[C@@H]1C[C@@H](CCO1)O MCULE-6251959536 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.4 C[C@@H]1C[C@H](CCO1)Br MCULE-5055630042 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-3414529082 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-9424615508 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.4 C[C@H]1CCC[C@@H](N1)C MCULE-1147260663 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.4 C[C@H]1CCC[C@@H](N1)C MCULE-9029116005 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.4 C[C@H]1CCC[C@H](C1)C MCULE-7889833647 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.4 C[C@H]1CCC[C@H](N1)C MCULE-5870895189 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.4 C[C@H]1CCC[C@H](N1)C MCULE-9926277933 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.4 C[C@H]1CCN[C@H](C1)C MCULE-3280721182 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.4 C[C@H]1CCN[C@H](C1)C MCULE-4356238844 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-3690703731 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-4390136549 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-6341510399 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.4 C[C@H]1CNC[C@H](O1)C MCULE-8184385886 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.4 C[C@H]1C[C@@H](CCO1)N MCULE-1731421927 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.4 C[C@H]1C[C@@H](CCO1)O MCULE-3846187212 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.4 C[C@H]1C[C@H](CCO1)N MCULE-6954386064 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.4 C[C@H]1C[C@H](CCO1)O MCULE-3007764630 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.8 CC1CC(CC(C1)CBr)C MCULE-1489300728 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.8 CC1CC(CC(C1)CN)C MCULE-8547220823 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.8 CC1CC(CC(C1)CO)C MCULE-5331575122 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.8 CC1CC(CC(N1)C)CO MCULE-5120639213 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.8 CC1CC(CC(N1)C)CO MCULE-8192770059 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.8 CC1CC(CC(O1)C)C#N MCULE-4948232033 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.8 CC1CC(CC(O1)C)C=O MCULE-6382970154 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.8 CC1CC(CC(O1)C)CN MCULE-1319687929 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.8 CC1CC(CC(O1)C)CO MCULE-2203719785 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.8 CC1CC(CC(O1)C)NN MCULE-6562613875 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.8 CC1CC(CC(O1)C)NN MCULE-9875780953 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.8 CNC1CC(OC(C1)C)C MCULE-7282628972 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.8 C[C@H]1CC(C[C@H](O1)C)CBr MCULE-5205147785 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.8 C[C@H]1CC(C[C@H](O1)C)CO MCULE-8494561530 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.329 CC1=NC(CC(O1)C)(C)C MCULE-8795092704 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.329 CC1CC(CC(C1)(C)C)C MCULE-6576455597 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.329 CC1CC(OB(O1)O)(C)C MCULE-1239960028 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.329 CC1CC(OC(O1)C)(C)C MCULE-5881056639 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.329 CC1CC(OP(=S)(O1)O)C MCULE-8168388855 [0,1,0,0,0,0|3,0,0]=4 91 B8R0.5 CCCC(C)CC(C)C MCULE-4080546731 [0,0,1,0,0,0|3,0,0]=4 92 B8R0.5 CCCC(C)CC(C)O MCULE-3968478752 [0,0,1,0,0,0|2,0,0]=3 93 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [0,0,1,0,0,0|1,0,2]=4 94 B8R0.5 CCOC(=O)CC(C)O MCULE-5738582973 [0,0,1,0,0,0|2,0,1]=4 95 B8R0.5 CCOC(=O)CC(C)O MCULE-7412227285 [0,0,1,0,0,0|2,0,1]=4 96 B8R0.5 CCOC(=O)C[C@@H](C)O MCULE-2482059514 [0,0,1,0,0,0|2,0,1]=4 97 B8R0.5 CCOC(=O)C[C@@H](C)O MCULE-7632639859 [0,0,1,0,0,0|2,0,1]=4 98 B8R0.5 CCOC(=O)C[C@H](C)O MCULE-7934535288 [0,0,1,0,0,0|2,0,1]=4 99 B8R0.5 CCOC(=O)C[C@H](C)O MCULE-8099928659 [0,0,1,0,0,0|2,0,1]=4 100 B8R0.5 CCOC(=O)OC(C)Cl MCULE-6170131499 [0,0,1,0,0,0|2,0,1]=4 101 B8R0.5 CCOC(C)SC(=O)C MCULE-7308480995 [0,0,1,0,0,0|0,1,2]=4 102 B10R2.71 C1(CC2CCC(C1)O2)O MCULE-1647391755 [0,0,0,1,0,0|3,0,0]=4 103 B10R2.71 CC1CC2CCC(C1)N2 MCULE-1955785457 [0,0,0,1,0,0|3,0,0]=4 104 B10R2.71 NC1CC2CCC(C1)O2 MCULE-4457544306 [0,0,0,1,0,0|3,0,0]=4 105 B10R2.71 NC1CC2CCC(C1)O2 MCULE-9929281022 [0,0,0,1,0,0|3,0,0]=4 106 B10R2.71 N[C@@H]1C[C@@H]2CC[C@H](C1)O2 MCULE-3383622461 [0,0,0,1,0,0|3,0,0]=4 107 B10R2.71 [C@@H]1(C[C@@H]2CC[C@H](C1)O2)O MCULE-3855768470 [0,0,0,1,0,0|3,0,0]=4 108 B10R2.71 [C@@H]12CC[C@@H](O1)C[C@@H](C2)N MCULE-2499502135 [0,0,0,1,0,0|3,0,0]=4 109 B10R2.71 [C@@H]12CC[C@@H](O1)C[C@@H](C2)O MCULE-1754778403 [0,0,0,1,0,0|3,0,0]=4 110 B10R2.71 [C@@H]12CC[C@@H](O1)C[C@H](C2)N MCULE-4965442507 [0,0,0,1,0,0|3,0,0]=4 111 B10R2.71 [C@@H]12CC[C@@H](O1)C[C@H](C2)N MCULE-9924603903 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.18 CC1=NC(C(S1)C)C MCULE-1424136465 [0,0,0,0,1,0|1,1,1]=4 113 B8R1.18 CC1=NC(OC1C)C MCULE-1601265239 [0,0,0,0,1,0|1,0,1]=3 114 B8R1.18 CC1=NC(SC1C)C MCULE-6267428004 [0,0,0,0,1,0|1,1,1]=4 115 B8R1.18 CC1CC(=O)C(O1)C MCULE-9648127298 [0,0,0,0,1,0|2,0,1]=4 116 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [0,0,0,0,1,0|2,0,1]=4 117 B8R1.18 CC1CC(C(O1)C)N MCULE-3274169856 [0,0,0,0,1,0|2,0,0]=3 118 B8R1.18 CC1CC(C(O1)C)N MCULE-9455862703 [0,0,0,0,1,0|2,0,0]=3 119 B8R1.18 CC1CC(C(O1)C)S MCULE-4786793091 [0,0,0,0,1,0|2,0,0]=3 120 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [0,0,0,0,1,0|2,0,1]=4 121 B8R1.18 CC1OC(=O)OC1C MCULE-1302025126 [0,0,0,0,1,0|1,0,1]=3 122 B8R1.18 CC1OS(=O)OC1C MCULE-8578188591 [0,0,0,0,1,0|2,0,0]=3 123 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [0,0,0,0,1,0|2,0,1]=4 124 B7R0.2 CC(O)CC(C)CN MCULE-3086796159 [1,0,1,0,0,0|2,0,0]=4 125 B7R0.2 CCC(C)CC(C)C MCULE-9492683095 [1,0,1,0,0,0|2,0,0]=4 126 B7R0.2 CCC(C)CC(C)N MCULE-2633957870 [1,0,1,0,0,0|2,0,0]=4 127 B7R0.2 CCC(C)CC(C)N MCULE-5740038174 [1,0,1,0,0,0|2,0,0]=4 128 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [1,0,1,0,0,0|0,0,2]=4 129 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [1,0,1,0,0,0|2,0,0]=4 130 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [1,0,1,0,0,0|2,0,0]=4 131 B7R0.2 COC(C)CC(C)O MCULE-3635789827 [1,0,1,0,0,0|1,0,0]=3 132 B7R0.4 CCCCCC(C)O MCULE-2463855771 [1,0,1,0,0,0|2,0,0]=4 133 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [1,0,1,0,0,0|2,0,0]=4 134 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [1,0,1,0,0,0|2,0,0]=4 135 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [1,0,1,0,0,0|2,0,0]=4 136 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [1,0,1,0,0,0|2,0,0]=4 137 B7R0.4 CCCCOC(C)C MCULE-1504269570 [1,0,1,0,0,0|2,0,0]=4 138 B7R0.7 C=C(OCC)OCC MCULE-5191107236 [1,0,1,0,0,0|0,0,2]=4 139 B7R0.7 CCCC(C)CCC MCULE-5291190768 [1,0,1,0,0,0|2,0,0]=4 140 B7R0.7 CCCC(C)CCO MCULE-6887128167 [1,0,1,0,0,0|2,0,0]=4 141 B7R0.7 CCCC(C)NCC MCULE-3443551812 [1,0,1,0,0,0|2,0,0]=4 142 B7R0.7 CCCC(C)NCC MCULE-7227087576 [1,0,1,0,0,0|2,0,0]=4 143 B7R0.7 CCCC(C)OCC MCULE-2678814077 [1,0,1,0,0,0|1,0,0]=3 144 B7R0.7 CCNC(C)CCO MCULE-5904294074 [1,0,1,0,0,0|2,0,0]=4 145 B7R0.7 CCOC(=O)OCC MCULE-1394890550 [1,0,1,0,0,0|1,0,1]=4 146 B7R0.7 CCOC(C)CNC MCULE-9630095723 [1,0,1,0,0,0|2,0,0]=4 147 B7R0.7 CCOC(C)OCC MCULE-7152410134 [1,0,1,0,0,0|0,0,0]=2 148 B7R0.7 CCOP(C)OCC MCULE-2299160311 [1,0,1,0,0,0|1,0,0]=3 149 B7R0.7 CCOP(Cl)OCC MCULE-5522995801 [1,0,1,0,0,0|2,0,0]=4 150 B7R0.7 CCOS(=O)OCC MCULE-6252684995 [1,0,1,0,0,0|2,0,0]=4 151 B7R0.7 P(=O)(OCC)OCC MCULE-8519301551 [1,0,1,0,0,0|2,0,0]=4 152 B7R0.7 P(=S)(OCC)OCC MCULE-9585241913 [1,0,1,0,0,0|2,0,0]=4 153 B7R1.3 CB1OCCCO1 MCULE-5692862103 [2,0,0,0,0,0|2,0,0]=4 154 B7R1.3 CC1CCCCO1 MCULE-4439683294 [2,0,0,0,0,0|2,0,0]=4 155 B7R1.3 CC1CCOCC1 MCULE-8623581625 [2,0,0,0,0,0|2,0,0]=4 156 B7R1.3 CC1CCOCN1 MCULE-5420262342 [2,0,0,0,0,0|2,0,0]=4 157 B7R1.3 CC1CCOCO1 MCULE-5013590651 [2,0,0,0,0,0|1,0,0]=3 158 B7R1.3 CC1NCCCO1 MCULE-2236660860 [2,0,0,0,0,0|2,0,0]=4 159 B9R0.6 CCOC(C)C(=O)C(O)O MCULE-3687671794 [0,1,1,0,0,0|2,0,0]=4 160 B9R0.34 [C@@H](C)(CO)OC(C)OCC MCULE-1195285206 [0,1,1,0,0,0|0,0,0]=2 161 B9R0.53 CB(OC(C)C)OC(C)C MCULE-5805885271 [0,1,1,0,0,0|2,0,0]=4 162 B9R0.53 CC(C)CC(C)CC(C)O MCULE-3603844824 [0,1,1,0,0,0|2,0,0]=4 163 B9R0.53 CC(C)OC(C)OC(C)C MCULE-7008416555 [0,1,1,0,0,0|1,0,0]=3 164 B9R1.2 CC1CC(CCO1)CBr MCULE-2331277769 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.2 CC1CC(CCO1)CO MCULE-1147018894 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.2 CC1CCCC(O1)CN MCULE-9065375307 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.22 CC1CC(C(O1)C)CN MCULE-8332746873 [0,1,0,0,1,0|1,0,0]=3 168 B9R1.36 CC1OC(OC1=O)(C)C MCULE-1281784579 [0,1,0,0,1,0|1,0,1]=4 169 B9R1.36 CC1OP(=S)(OC1C)S MCULE-8679971728 [0,1,0,0,1,0|2,0,0]=4 170 B9R1.37 CC1OC(C(C1C)N)C MCULE-6300493082 [0,1,0,0,1,0|1,0,0]=3 171 B9R1.37 CC1OC(C(C1C)N)C MCULE-8122167979 [0,1,0,0,1,0|1,0,0]=3 172 B11R1.34 CC1CC(CC(O1)C)CCN MCULE-1355577281 [0,2,0,0,0,0|2,0,0]=4 173 B11R1.34 CC1CC(CC(O1)C)CCN MCULE-2023381073 [0,2,0,0,0,0|2,0,0]=4 174 B9R1.13 CC(=O)OC1CCCO1 MCULE-9160883410 [0,0,1,1,0,0|0,0,2]=4 175 B9R1.13 CC(N)CC1CCCO1 MCULE-7603248274 [0,0,1,1,0,0|2,0,0]=4 176 B9R1.13 CC(O)CC1CCCN1 MCULE-7800705257 [0,0,1,1,0,0|2,0,0]=4 177 B11R2.16 NCC1CC2CCC(C1)O2 MCULE-6795900276 [0,1,0,1,0,0|2,0,0]=4 178 B11R2.16 OCC1CC2CCC(C1)O2 MCULE-8911405357 [0,1,0,1,0,0|2,0,0]=4 179 B7R0.5 CCCC(C)C(C)C MCULE-1008931357 [0,0,1,0,1,0|2,0,0]=4 180 B7R0.5 CCCC(C)C(C)N MCULE-3555650010 [0,0,1,0,1,0|2,0,0]=4 181 B7R0.5 CCCC(C)C(C)N MCULE-8637319249 [0,0,1,0,1,0|2,0,0]=4 182 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [0,0,1,0,1,0|1,0,0]=3 183 B7R0.5 CCNC(C)C(C)C MCULE-4222747158 [0,0,1,0,1,0|2,0,0]=4 184 B7R0.5 CCNC(C)C(C)C MCULE-4653009965 [0,0,1,0,1,0|2,0,0]=4 185 B7R0.5 CCOC(=N)C(C)O MCULE-4906645723 [0,0,1,0,1,0|1,0,1]=4 186 B7R0.5 CCOC(=N)C(C)O MCULE-6342692176 [0,0,1,0,1,0|1,0,1]=4 187 B7R0.5 CCOC(=O)C(C)O MCULE-8057202883 [0,0,1,0,1,0|1,0,1]=4 188 B7R0.5 CCOC(=O)C(C)O MCULE-9679398205 [0,0,1,0,1,0|1,0,1]=4 189 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-3372948910 [0,0,1,0,1,0|1,0,1]=4 190 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-5795033916 [0,0,1,0,1,0|1,0,1]=4 191 B7R0.5 CCOC(=O)[C@H](C)O MCULE-4333545760 [0,0,1,0,1,0|1,0,1]=4 192 B7R0.5 CCOC(=O)[C@H](C)O MCULE-8787861948 [0,0,1,0,1,0|1,0,1]=4 193 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,0,1,0,1,0|1,0,1]=4 194 B7R0.5 CCOC(Cl)C(C)Cl MCULE-8602425289 [0,0,1,0,1,0|2,0,0]=4 195 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [1,0,0,0,1,0|1,0,1]=4 196 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [1,0,0,0,1,0|2,0,0]=4 197 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [1,0,0,0,1,0|2,0,0]=4 198 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [1,0,0,0,1,0|2,0,0]=4 199 B7R1.2 CC1CCC(N1)C MCULE-8652550641 [1,0,0,0,1,0|2,0,0]=4 200 B7R1.2 CC1CCC(N1)C MCULE-9945795318 [1,0,0,0,1,0|2,0,0]=4 201 B7R1.2 CC1CCC(O1)C MCULE-6766843462 [1,0,0,0,1,0|1,0,0]=3 202 B7R1.2 CC1CC[C@H](N1)C MCULE-7537248866 [1,0,0,0,1,0|2,0,0]=4 203 B7R1.2 CC1CC[C@H](N1)C MCULE-8839413924 [1,0,0,0,1,0|2,0,0]=4 204 B7R1.2 CC1CNC(C1)C MCULE-3051496448 [1,0,0,0,1,0|2,0,0]=4 205 B7R1.2 CC1CNC(C1)C MCULE-9324057254 [1,0,0,0,1,0|2,0,0]=4 206 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [1,0,0,0,1,0|1,0,1]=4 207 B7R1.2 CC1COC(O1)C MCULE-5670718739 [1,0,0,0,1,0|0,0,0]=2 208 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [1,0,0,0,1,0|2,0,0]=4 209 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-1673197449 [1,0,0,0,1,0|2,0,0]=4 210 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-2729648845 [1,0,0,0,1,0|2,0,0]=4 211 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-4960548681 [1,0,0,0,1,0|2,0,0]=4 212 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-9686295802 [1,0,0,0,1,0|2,0,0]=4 213 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [1,0,0,0,1,0|1,0,1]=4 214 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [1,0,0,0,1,0|1,0,1]=4 215 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-4583560293 [1,0,0,0,1,0|2,0,0]=4 216 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8297612622 [1,0,0,0,1,0|2,0,0]=4 217 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8699883146 [1,0,0,0,1,0|2,0,0]=4 218 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8917914682 [1,0,0,0,1,0|2,0,0]=4 219 B7R1.2 C[C@H]1CC[C@H](C1)C MCULE-8059507758 [1,0,0,0,1,0|2,0,0]=4 220 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-1935235769 [1,0,0,0,1,0|2,0,0]=4 221 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-9833374653 [1,0,0,0,1,0|2,0,0]=4 222 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [1,0,0,0,1,0|1,0,1]=4 223 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [1,0,0,0,1,0|1,0,1]=4 224 B7R1.4 CC1CCNC1C MCULE-2184586167 [1,0,0,0,1,0|2,0,0]=4 225 B7R1.4 CC1OCCC1N MCULE-4343663724 [1,0,0,0,1,0|2,0,0]=4 226 B7R1.4 CC1OCCC1N MCULE-9003879039 [1,0,0,0,1,0|2,0,0]=4 227 B7R1.4 CC1OCCC1O MCULE-6904695721 [1,0,0,0,1,0|2,0,0]=4 228 B7R1.4 CC1OCCC1S MCULE-9127694888 [1,0,0,0,1,0|2,0,0]=4 229 B7R1.4 CC1OCOC1C MCULE-9497186094 [1,0,0,0,1,0|0,0,0]=2 230 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-5910807847 [1,0,0,0,1,0|2,0,0]=4 231 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-7586038907 [1,0,0,0,1,0|2,0,0]=4 232 B7R1.4 C[C@H]1CCN[C@@H]1C MCULE-7622265949 [1,0,0,0,1,0|2,0,0]=4 233 B7R1.4 C[C@H]1CCN[C@@H]1C MCULE-7686056776 [1,0,0,0,1,0|2,0,0]=4 234 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-1432785321 [1,0,0,0,1,0|2,0,0]=4 235 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-3008045787 [1,0,0,0,1,0|2,0,0]=4 236 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-7656776924 [1,0,0,0,1,0|2,0,0]=4 237 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-8087379612 [1,0,0,0,1,0|2,0,0]=4 238 B9R0.48 CCOC(C)COC(=O)C MCULE-7641307016 [0,0,1,0,0,1|0,0,2]=4 239 B9R0.48 CCOC(C)OCC(C)C MCULE-1164843715 [0,0,1,0,0,1|1,0,0]=3 240 B9R0.48 COCC(C)OCC(C)O MCULE-1172706932 [0,0,1,0,0,1|2,0,0]=4