0 B11R2.432 C12CCC(N1C)CC(C2)N MCULE-2439448073 [0,0,0,0,0,0|1,0,1]=2 1 B11R2.432 C=C1CC2CCC(C1)C2=O MCULE-8469947334 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.432 CC1C2CCN1CC(C2)N MCULE-4286332805 [0,0,0,0,0,0|3,0,1]=4 3 B11R2.432 CN1C2C=CC1CC(C2)O MCULE-3315638705 [0,0,0,0,0,0|0,0,4]=4 4 B11R2.432 CN1C2C=CC1CC(C2)O MCULE-7613007161 [0,0,0,0,0,0|0,0,4]=4 5 B11R2.432 CN1C2CCC1CC(=O)C2 MCULE-6630123609 [0,0,0,0,0,0|0,0,0]=0 6 B11R2.432 CN1C2CCC1CC(C2)Br MCULE-3061002223 [0,0,0,0,0,0|1,0,1]=2 7 B11R2.432 CN1C2CCC1CC(C2)Br MCULE-3820185467 [0,0,0,0,0,0|1,0,1]=2 8 B11R2.432 CN1C2CCC1CC(C2)N MCULE-5791244239 [0,0,0,0,0,0|1,0,1]=2 9 B11R2.432 CN1C2CCC1CC(C2)O MCULE-4087674114 [0,0,0,0,0,0|0,0,2]=2 10 B11R2.432 CN1C2CCC1CC(C2)S MCULE-8629675373 [0,0,0,0,0,0|0,1,1]=2 11 B11R2.432 CN1C2CCC1CC(C2)S MCULE-9891436779 [0,0,0,0,0,0|0,1,1]=2 12 B11R2.432 CN1CC2CCC(C1)C2=O MCULE-4130867278 [0,0,0,0,0,0|4,0,0]=4 13 B11R2.432 CN1CC2CCC(C1)C2=O MCULE-5867573688 [0,0,0,0,0,0|4,0,0]=4 14 B11R2.432 CN1CC2CCC(C1)C2N MCULE-4976841234 [0,0,0,0,0,0|4,0,0]=4 15 B11R2.432 CN1CC2CCC(C1)C2N MCULE-6614952630 [0,0,0,0,0,0|4,0,0]=4 16 B11R2.432 CN1[C@H]2CC[C@@H]1CC(=O)C2 MCULE-5387475395 [0,0,0,0,0,0|0,0,0]=0 17 B11R2.432 CN1[C@H]2CC[C@@H]1C[C@@H](C2)N MCULE-2572102810 [0,0,0,0,0,0|1,0,1]=2 18 B11R2.432 CN1[C@H]2CC[C@@H]1C[C@@H](C2)O MCULE-4962606997 [0,0,0,0,0,0|0,0,2]=2 19 B11R2.432 CN1[C@H]2CC[C@@H]1C[C@H](C2)O MCULE-1371970366 [0,0,0,0,0,0|0,0,2]=2 20 B11R2.432 NC1C2CCC1CC(C2)O MCULE-1989177455 [0,0,0,0,0,0|2,0,2]=4 21 B11R2.432 NC1C2CCC1CC(C2)O MCULE-9803565327 [0,0,0,0,0,0|2,0,2]=4 22 B11R2.432 NC1CC2CCC(C1)C2O MCULE-1304703648 [0,0,0,0,0,0|3,0,1]=4 23 B11R2.432 NC1CC2CCC(C1)C2O MCULE-3947228894 [0,0,0,0,0,0|3,0,1]=4 24 B11R2.432 [C@@H]12CC[C@@H](N1C)C[C@@H](C2)S MCULE-4051536371 [0,0,0,0,0,0|0,1,1]=2 25 B11R2.432 [C@@H]12CC[C@@H](N1C)C[C@@H](C2)S MCULE-9522181179 [0,0,0,0,0,0|0,1,1]=2 26 B11R2.432 [C@@H]12CC[C@@H](N1C)C[C@H](C2)N MCULE-1893915373 [0,0,0,0,0,0|1,0,1]=2 27 B11R2.432 [NH+]1(C2CCC1CC(=O)C2)C MCULE-7701096436 [0,0,0,0,0,0|0,0,1]=1 28 B10R2.41 CN1C2C=CCC1CC2 MCULE-7544021423 [1,0,0,0,0,0|0,0,1]=2 29 B10R2.41 CN1C2CCC1CNC2 MCULE-7593769684 [1,0,0,0,0,0|1,0,0]=2 30 B10R2.41 CN1C2CCC1CNC2 MCULE-9148355146 [1,0,0,0,0,0|1,0,0]=2 31 B10R2.41 CN1C2CCCC1CC2 MCULE-3766037226 [1,0,0,0,0,0|0,0,1]=2 32 B10R2.41 CN1[C@H]2CC[C@@H]1CNC2 MCULE-5380174681 [1,0,0,0,0,0|1,0,0]=2 33 B10R2.41 CN1[C@H]2CC[C@@H]1CNC2 MCULE-6043000054 [1,0,0,0,0,0|1,0,0]=2 34 B10R2.41 FC1C2CCC1CNC2 MCULE-6811005384 [1,0,0,0,0,0|3,0,0]=4 35 B10R2.41 FC1C2CCC1CNC2 MCULE-6954522632 [1,0,0,0,0,0|3,0,0]=4 36 B10R2.41 NC1C2CCC1CNC2 MCULE-1946144960 [1,0,0,0,0,0|3,0,0]=4 37 B10R2.41 NC1C2CCC1CNC2 MCULE-5634644617 [1,0,0,0,0,0|3,0,0]=4 38 B10R2.41 O=C1C2CCC1CNC2 MCULE-3798190863 [1,0,0,0,0,0|3,0,0]=4 39 B10R2.41 O=C1C2CCC1CNC2 MCULE-9025482807 [1,0,0,0,0,0|3,0,0]=4 40 B10R2.41 O=C1C2CCC1COC2 MCULE-5093346925 [1,0,0,0,0,0|3,0,0]=4 41 B10R2.41 O=C1C2CCC1CSC2 MCULE-1343041499 [1,0,0,0,0,0|3,0,0]=4 42 B10R2.41 O=C1C2CCCC1CC2 MCULE-4192176527 [1,0,0,0,0,0|2,0,1]=4 43 B10R2.41 OC1C2CCC1CNC2 MCULE-4258734063 [1,0,0,0,0,0|3,0,0]=4 44 B10R2.41 OC1C2CCC1CNC2 MCULE-9412192288 [1,0,0,0,0,0|3,0,0]=4 45 B10R2.41 OC1C2CCC1COC2 MCULE-6695569372 [1,0,0,0,0,0|3,0,0]=4 46 B10R2.41 OC1[C@@H]2CC[C@@H]1CNC2 MCULE-7299179617 [1,0,0,0,0,0|3,0,0]=4 47 B10R2.41 OC1[C@@H]2CC[C@@H]1CNC2 MCULE-9240905969 [1,0,0,0,0,0|3,0,0]=4 48 B10R2.41 O[C@@H]1C2CC[C@@H]1CNC2 MCULE-2776722494 [1,0,0,0,0,0|3,0,0]=4 49 B10R2.41 O[C@@H]1C2CC[C@@H]1CNC2 MCULE-3317184032 [1,0,0,0,0,0|3,0,0]=4 50 B10R2.41 O[C@@H]1C2CC[C@@H]1CNC2 MCULE-6525902703 [1,0,0,0,0,0|3,0,0]=4 51 B10R2.41 O[C@@H]1C2CC[C@@H]1CNC2 MCULE-7363125004 [1,0,0,0,0,0|3,0,0]=4 52 B10R2.41 O[C@@H]1[C@H]2CC[C@@H]1CNC2 MCULE-3609257256 [1,0,0,0,0,0|3,0,0]=4 53 B10R2.41 O[C@@H]1[C@H]2CC[C@@H]1CNC2 MCULE-5549096986 [1,0,0,0,0,0|3,0,0]=4 54 B10R2.41 O[C@H]1[C@H]2CC[C@@H]1CNC2 MCULE-1845673645 [1,0,0,0,0,0|3,0,0]=4 55 B10R2.41 O[C@H]1[C@H]2CC[C@@H]1CNC2 MCULE-5351686463 [1,0,0,0,0,0|3,0,0]=4 56 B10R2.41 [C@@H]12CCC[C@@H](N1C)CC2 MCULE-5613125213 [1,0,0,0,0,0|0,0,1]=2 57 B10R2.71 C1(CC2CCC(C1)O2)O MCULE-1647391755 [1,0,0,0,0,0|1,0,2]=4 58 B10R2.71 C=C1CC2CCC(C1)N2 MCULE-2186810171 [1,0,0,0,0,0|1,0,0]=2 59 B10R2.71 C=C1CC2CCC(C1)N2 MCULE-8231278845 [1,0,0,0,0,0|1,0,0]=2 60 B10R2.71 CC1CC2CCC(C1)N2 MCULE-1955785457 [1,0,0,0,0,0|1,0,1]=3 61 B10R2.71 CN1CC2CCC(C1)N2 MCULE-2996045633 [1,0,0,0,0,0|2,0,0]=3 62 B10R2.71 CN1CC2CCC(C1)N2 MCULE-4860712060 [1,0,0,0,0,0|2,0,0]=3 63 B10R2.71 CN1CC2CCC(C1)N2 MCULE-7352024331 [1,0,0,0,0,0|2,0,0]=3 64 B10R2.71 ClC1=CC2CCC(C1)C2 MCULE-3086075361 [1,0,0,0,0,0|2,0,1]=4 65 B10R2.71 FC1CC2CCC(C1)N2 MCULE-6770205882 [1,0,0,0,0,0|1,0,1]=3 66 B10R2.71 FC1CC2CCC(C1)N2 MCULE-8990681537 [1,0,0,0,0,0|1,0,1]=3 67 B10R2.71 F[C@H]1C[C@@H]2CC[C@H](C1)N2 MCULE-5894622698 [1,0,0,0,0,0|1,0,1]=3 68 B10R2.71 F[C@H]1C[C@@H]2CC[C@H](C1)N2 MCULE-8603742266 [1,0,0,0,0,0|1,0,1]=3 69 B10R2.71 NC1CC2CCC(C1)C2 MCULE-4574547962 [1,0,0,0,0,0|2,0,1]=4 70 B10R2.71 NC1CC2CCC(C1)C2 MCULE-9895969618 [1,0,0,0,0,0|2,0,1]=4 71 B10R2.71 NC1CC2CCC(C1)N2 MCULE-3854541258 [1,0,0,0,0,0|1,0,1]=3 72 B10R2.71 NC1CC2CCC(C1)N2 MCULE-7229082830 [1,0,0,0,0,0|1,0,1]=3 73 B10R2.71 NC1CC2CCC(C1)O2 MCULE-4457544306 [1,0,0,0,0,0|2,0,1]=4 74 B10R2.71 NC1CC2CCC(C1)O2 MCULE-9929281022 [1,0,0,0,0,0|2,0,1]=4 75 B10R2.71 NC1CC2CCC(C1)S2 MCULE-6100710495 [1,0,0,0,0,0|2,0,1]=4 76 B10R2.71 NC1CC2CCC(C1)S2 MCULE-9741713579 [1,0,0,0,0,0|2,0,1]=4 77 B10R2.71 N[C@@H]1C[C@@H]2CC[C@H](C1)O2 MCULE-3383622461 [1,0,0,0,0,0|2,0,1]=4 78 B10R2.71 O=C1CC2C=CC(C1)O2 MCULE-4127840431 [1,0,0,0,0,0|1,0,2]=4 79 B10R2.71 O=C1CC2CCC(C1)C2 MCULE-7387433305 [1,0,0,0,0,0|1,0,0]=2 80 B10R2.71 O=C1CC2CCC(C1)N2 MCULE-2112708434 [1,0,0,0,0,0|0,0,0]=1 81 B10R2.71 O=C1CC2CCC(C1)N2 MCULE-8795004919 [1,0,0,0,0,0|0,0,0]=1 82 B10R2.71 O=C1CC2CCC(C1)O2 MCULE-1445667771 [1,0,0,0,0,0|1,0,0]=2 83 B10R2.71 O=C1CC2CCC(C1)S2 MCULE-6020280495 [1,0,0,0,0,0|1,0,0]=2 84 B10R2.71 O=C1CC2COC(C1)O2 MCULE-4570065663 [1,0,0,0,0,0|2,0,0]=3 85 B10R2.71 O=C1CN2CC[C@@H](C2)N1 MCULE-3819060585 [1,0,0,0,0,0|3,0,0]=4 86 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 MCULE-5358522556 [1,0,0,0,0,0|0,0,0]=1 87 B10R2.71 OC1CC2CCC(C1)C2 MCULE-2298959952 [1,0,0,0,0,0|1,0,2]=4 88 B10R2.71 OC1CC2CCC(C1)N2 MCULE-1984182265 [1,0,0,0,0,0|0,0,2]=3 89 B10R2.71 OC1CC2CCC(C1)N2 MCULE-8723724278 [1,0,0,0,0,0|0,0,2]=3 90 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)N2 MCULE-5739413050 [1,0,0,0,0,0|0,0,2]=3 91 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)N2 MCULE-7201642986 [1,0,0,0,0,0|0,0,2]=3 92 B10R2.71 [C@@H]1(C[C@@H]2CC[C@H](C1)N2)O MCULE-1257362100 [1,0,0,0,0,0|0,0,2]=3 93 B10R2.71 [C@@H]1(C[C@@H]2CC[C@H](C1)N2)O MCULE-6641612222 [1,0,0,0,0,0|0,0,2]=3 94 B10R2.71 [C@@H]1(C[C@@H]2CC[C@H](C1)O2)O MCULE-3855768470 [1,0,0,0,0,0|1,0,2]=4 95 B10R2.71 [C@@H]12CC[C@@H](N1)CC(=O)C2 MCULE-2967790803 [1,0,0,0,0,0|0,0,0]=1 96 B10R2.71 [C@@H]12CC[C@@H](N1)CC(=O)C2 MCULE-9821654462 [1,0,0,0,0,0|0,0,0]=1 97 B10R2.71 [C@@H]12CC[C@@H](N1)CN(C2)C MCULE-7270328582 [1,0,0,0,0,0|2,0,0]=3 98 B10R2.71 [C@@H]12CC[C@@H](N1)CN(C2)C MCULE-9083110154 [1,0,0,0,0,0|2,0,0]=3 99 B10R2.71 [C@@H]12CC[C@@H](N1)C[C@@H](C2)F MCULE-2006046888 [1,0,0,0,0,0|1,0,1]=3 100 B10R2.71 [C@@H]12CC[C@@H](N1)C[C@@H](C2)F MCULE-8693026463 [1,0,0,0,0,0|1,0,1]=3 101 B10R2.71 [C@@H]12CC[C@@H](O1)C[C@@H](C2)N MCULE-2499502135 [1,0,0,0,0,0|2,0,1]=4 102 B10R2.71 [C@@H]12CC[C@@H](O1)C[C@@H](C2)O MCULE-1754778403 [1,0,0,0,0,0|1,0,2]=4 103 B10R2.71 [C@@H]12CC[C@@H](O1)C[C@H](C2)N MCULE-4965442507 [1,0,0,0,0,0|2,0,1]=4 104 B10R2.71 [C@@H]12CC[C@@H](O1)C[C@H](C2)N MCULE-9924603903 [1,0,0,0,0,0|2,0,1]=4 105 B12R2.1140 C[N+]1(C2CCC1CC(=O)C2)C MCULE-3519451972 [0,1,0,0,0,0|0,0,1]=2 106 B12R2.1140 C[N+]1(C2CCC1CC(=O)C2)C MCULE-9302281271 [0,1,0,0,0,0|0,0,1]=2 107 B12R2.1140 C[N+]1(C2CCC1CC(C2)O)C MCULE-2562378166 [0,1,0,0,0,0|0,0,3]=4 108 B12R2.1140 C[N+]1(C2CCC1CC(C2)O)C MCULE-3410245648 [0,1,0,0,0,0|0,0,3]=4 109 B12R2.1140 C[N+]1(C2CCC1CC(C2)O)C MCULE-5233388702 [0,1,0,0,0,0|0,0,3]=4 110 B12R2.1841 CN1C2CCC1CC(=NO)C2 MCULE-3452335877 [0,1,0,0,0,0|0,0,1]=2 111 B12R2.1841 CN1C2CCC1CC(=NO)C2 MCULE-5775671740 [0,1,0,0,0,0|0,0,1]=2 112 B12R2.1841 CN1C2CCC1CC(C2)C=O MCULE-6584456186 [0,1,0,0,0,0|0,0,1]=2 113 B12R2.1841 CN1C2CCC1CC(C2)CN MCULE-1169124719 [0,1,0,0,0,0|1,0,1]=3 114 B12R2.1841 CN1C2CCC1CC(C2)CN MCULE-6376176461 [0,1,0,0,0,0|1,0,1]=3 115 B12R2.1841 CNC1CC2CCC(C1)N2C MCULE-8175481041 [0,1,0,0,0,0|1,0,1]=3 116 B12R2.2257 CCN1C2CCC1CC(=O)C2 MCULE-4621433430 [0,1,0,0,0,0|0,0,0]=1 117 B12R2.2257 CCN1C2CCC1CC(C2)O MCULE-3005139502 [0,1,0,0,0,0|0,0,2]=3 118 B12R2.2257 CCN1C2CCC1CC(C2)O MCULE-5326670415 [0,1,0,0,0,0|0,0,2]=3 119 B12R2.2898 CN1C2CC(=O)CC1C(C2)O MCULE-8931380694 [0,1,0,0,0,0|0,0,0]=1 120 B12R2.2898 CN1[C@H]2CC(=O)C[C@@H]1[C@H](C2)O MCULE-3116943816 [0,1,0,0,0,0|0,0,0]=1 121 B12R2.2898 [C@@H]12CC(=O)C[C@@H](N1C)C(C2)O MCULE-1439345292 [0,1,0,0,0,0|0,0,0]=1 122 B12R2.2898 [C@@H]12CC(=O)C[C@@H](N1C)C(C2)O MCULE-7658208548 [0,1,0,0,0,0|0,0,0]=1 123 B12R2.2898 [C@@H]12CC(=O)C[C@@H](N1C)[C@H](C2)O MCULE-6214227173 [0,1,0,0,0,0|0,0,0]=1 124 B10R1.22 CC1CC(=O)CC(N1C)C MCULE-9078372636 [0,0,1,0,0,0|0,0,0]=1 125 B10R1.22 CC1CC(CC(N1C)C)O MCULE-5998376732 [0,0,1,0,0,0|0,0,2]=3 126 B10R1.30 CN1CCN(C(C1)CN)C MCULE-1733500051 [0,0,1,0,0,0|3,0,0]=4 127 B10R1.30 CN1CCN(C(C1)CO)C MCULE-6572428862 [0,0,1,0,0,0|3,0,0]=4 128 B10R1.30 CN1CCN([C@@H](C1)CO)C MCULE-4767261267 [0,0,1,0,0,0|3,0,0]=4 129 B10R1.30 CN1CCN([C@@H](C1)CO)C MCULE-6822300816 [0,0,1,0,0,0|3,0,0]=4 130 B10R1.64 CC(=O)CN1CCCC1C MCULE-5489343795 [0,0,1,0,0,0|2,0,0]=3 131 B10R1.64 CC(=O)N[C@@H]1CCC[C@H]1F MCULE-5761457763 [0,0,1,0,0,0|3,0,0]=4 132 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O MCULE-6420976383 [0,0,1,0,0,0|3,0,0]=4 133 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O MCULE-9888711851 [0,0,1,0,0,0|3,0,0]=4 134 B10R1.64 CC(=O)O[C@@H]1CCC[C@H]1O MCULE-7895175018 [0,0,1,0,0,0|3,0,0]=4 135 B10R1.64 CC1CCCC1CC(=O)O MCULE-1034129697 [0,0,1,0,0,0|2,0,0]=3 136 B10R1.64 CC1CCCN1CC(=O)O MCULE-5477147476 [0,0,1,0,0,0|3,0,0]=4 137 B10R1.64 CC1CCCN1CC(=O)O MCULE-7787437864 [0,0,1,0,0,0|3,0,0]=4 138 B10R1.64 CC1OCCC1CC(=O)O MCULE-3630286814 [0,0,1,0,0,0|3,0,0]=4 139 B10R1.64 CN1CCCC1CC(=O)O MCULE-1900515698 [0,0,1,0,0,0|1,0,0]=2 140 B10R1.64 CN1CCCC1CC(=O)O MCULE-4392051296 [0,0,1,0,0,0|1,0,0]=2 141 B10R1.64 CN1CCC[C@H]1CC(=O)O MCULE-2926738632 [0,0,1,0,0,0|1,0,0]=2 142 B10R1.64 NC1CCCC1CC(=O)O MCULE-7275948763 [0,0,1,0,0,0|3,0,0]=4 143 B10R1.64 NC1CCCC1CC(=O)O MCULE-7852876693 [0,0,1,0,0,0|3,0,0]=4 144 B10R1.64 O=C(Cl)CC1CCCC1=O MCULE-7029776897 [0,0,1,0,0,0|3,0,0]=4 145 B10R1.64 O=C(O)CC1CCCC1=O MCULE-9371811615 [0,0,1,0,0,0|3,0,0]=4 146 B10R1.94 CN1CCC(C1=O)CC=O MCULE-1972308594 [0,0,1,0,0,0|3,0,0]=4 147 B10R1.162 CNC1CCCCN(C1)C MCULE-6519273467 [0,0,1,0,0,0|2,0,0]=3 148 B10R1.162 CNC1CCCCN(C1)C MCULE-7582976618 [0,0,1,0,0,0|2,0,0]=3 149 B10R1.162 COC1CCCCC(C1)N MCULE-1070617113 [0,0,1,0,0,0|2,0,1]=4 150 B10R1.162 CO[C@H]1CCCC[C@@H](C1)N MCULE-1076782624 [0,0,1,0,0,0|2,0,1]=4 151 B10R1.162 CO[C@H]1CCCC[C@H](C1)N MCULE-7848033039 [0,0,1,0,0,0|2,0,1]=4 152 B10R1.162 NCC1CCCCC(=O)N1 MCULE-4887883772 [0,0,1,0,0,0|3,0,0]=4 153 B10R1.162 O=C1CC(CCCN1)CO MCULE-9468190378 [0,0,1,0,0,0|3,0,0]=4 154 B10R1.162 O=C1CCCCC(N1)CO MCULE-9454883286 [0,0,1,0,0,0|3,0,0]=4 155 B10R2.20 CN1C2CCC1C(=O)C2 MCULE-2169813004 [0,0,0,0,1,0|0,0,0]=1 156 B10R2.319 CN1C2CC(=O)CC1C2 MCULE-9729050386 [0,0,0,0,1,0|0,0,0]=1 157 B10R2.319 CN1C2CC(CC1C2)N MCULE-1090195284 [0,0,0,0,1,0|1,0,1]=3 158 B10R2.319 CN1C2CC(CC1C2)N MCULE-6684025230 [0,0,0,0,1,0|1,0,1]=3 159 B12R2.630 CN1C2CCC1CC(=O)NC2 MCULE-6018477908 [0,0,0,0,0,1|0,0,0]=1 160 B12R2.630 [C@@H]12CC[C@@H](N1C)CNC(=O)C2 MCULE-2118096440 [0,0,0,0,0,1|0,0,0]=1 161 B12R2.1154 CN1C2CCCC1CC(=O)C2 MCULE-4596962992 [0,0,0,0,0,1|0,0,0]=1 162 B12R2.1154 CN1C2CCCC1CC(=O)C2 MCULE-5416654087 [0,0,0,0,0,1|0,0,0]=1 163 B12R2.1154 CN1C2CCCC1CC(C2)N MCULE-1890642884 [0,0,0,0,0,1|1,0,1]=3 164 B12R2.1154 CN1C2CCCC1CC(C2)N MCULE-4738860607 [0,0,0,0,0,1|1,0,1]=3 165 B12R2.1154 CN1C2COCC1CC(=O)C2 MCULE-9718353096 [0,0,0,0,0,1|0,0,0]=1 166 B12R2.1154 CN1C2COCC1CC(C2)N MCULE-6602156103 [0,0,0,0,0,1|1,0,1]=3 167 B12R2.1154 CN1C2COCC1CC(C2)N MCULE-8676300765 [0,0,0,0,0,1|1,0,1]=3 168 B12R2.1154 CN1[C@@H]2COC[C@H]1C[C@@H](C2)N MCULE-4561626563 [0,0,0,0,0,1|1,0,1]=3 169 B12R2.1154 CN1[C@H]2CCC[C@H]1CC(C2)N MCULE-7423091375 [0,0,0,0,0,1|1,0,1]=3 170 B12R2.1154 O=C1CC2CCCC(C1)N2O MCULE-6031706465 [0,0,0,0,0,1|1,0,0]=2 171 B12R2.1154 [C@@H]1(C[C@@H]2CCC[C@H](C1)N2C)N MCULE-9352948498 [0,0,0,0,0,1|1,0,1]=3 172 B12R2.1154 [C@@H]1(C[C@H]2COC[C@@H](C1)N2C)N MCULE-6560888602 [0,0,0,0,0,1|1,0,1]=3 173 B12R2.1154 [C@@H]1(C[C@H]2COC[C@@H](C1)N2C)N MCULE-6812664365 [0,0,0,0,0,1|1,0,1]=3 174 B12R2.1154 [C@@H]12CCC[C@@H](N1C)CC(=O)C2 MCULE-7313573839 [0,0,0,0,0,1|0,0,0]=1 175 B12R2.1154 [C@@H]12CCC[C@@H](N1C)C[C@@H](C2)N MCULE-5750090154 [0,0,0,0,0,1|1,0,1]=3 176 B12R2.1154 [C@@H]12CCC[C@@H](N1C)C[C@@H](C2)N MCULE-7596768267 [0,0,0,0,0,1|1,0,1]=3 177 B12R2.1154 [C@@H]12CCC[C@@H](N1C)C[C@H](C2)N MCULE-2716708647 [0,0,0,0,0,1|1,0,1]=3 178 B12R2.1154 [C@H]12COC[C@H](N1C)CC(=O)C2 MCULE-4060670425 [0,0,0,0,0,1|0,0,0]=1 179 B12R2.1154 [C@H]12COC[C@H](N1C)C[C@@H](C2)N MCULE-2022057961 [0,0,0,0,0,1|1,0,1]=3 180 B9R1.3 CC1CCCC(C1C)C MCULE-9375072995 [1,0,1,0,0,0|1,0,1]=4 181 B9R1.3 CC1CCCC(N1N)C MCULE-5765452870 [1,0,1,0,0,0|1,0,1]=4 182 B9R1.3 CC1CNCC(N1C)C MCULE-3129069662 [1,0,1,0,0,0|1,0,0]=3 183 B9R1.3 CC1CNCC(N1C)C MCULE-5394139743 [1,0,1,0,0,0|1,0,0]=3 184 B9R1.3 CC1CNCC(N1C)C MCULE-6914037657 [1,0,1,0,0,0|1,0,0]=3 185 B9R1.3 C[C@@H]1CNC[C@H](N1C)C MCULE-3584026411 [1,0,1,0,0,0|1,0,0]=3 186 B9R1.3 C[C@@H]1CNC[C@H](N1C)C MCULE-5761283230 [1,0,1,0,0,0|1,0,0]=3 187 B9R1.3 C[C@@H]1CNC[C@H](N1C)C MCULE-6644241092 [1,0,1,0,0,0|1,0,0]=3 188 B9R1.3 C[C@@H]1CNC[C@H](N1C)C MCULE-8663994331 [1,0,1,0,0,0|1,0,0]=3 189 B9R1.3 C[C@H]1CNC[C@@H](N1C)C MCULE-3071055473 [1,0,1,0,0,0|1,0,0]=3 190 B9R1.3 C[C@H]1CNC[C@@H](N1C)C MCULE-4100287890 [1,0,1,0,0,0|1,0,0]=3 191 B9R1.3 C[C@H]1CNC[C@@H](N1C)C MCULE-4380065281 [1,0,1,0,0,0|1,0,0]=3 192 B9R1.3 C[C@H]1CNC[C@@H](N1C)C MCULE-5408094444 [1,0,1,0,0,0|1,0,0]=3 193 B9R1.3 C[C@H]1CNC[C@@H](N1C)C MCULE-5429310377 [1,0,1,0,0,0|1,0,0]=3 194 B9R1.3 C[C@H]1CNC[C@@H](N1C)C MCULE-9003879600 [1,0,1,0,0,0|1,0,0]=3 195 B9R1.3 C[C@H]1CNC[C@H](N1C)C MCULE-3673636246 [1,0,1,0,0,0|1,0,0]=3 196 B9R1.3 C[C@H]1CNC[C@H](N1C)C MCULE-3694967635 [1,0,1,0,0,0|1,0,0]=3 197 B9R1.3 C[C@H]1CNC[C@H](N1C)C MCULE-7661350381 [1,0,1,0,0,0|1,0,0]=3 198 B9R1.34 CC1=CC(CC(=O)C1)C MCULE-3058901389 [1,0,1,0,0,0|1,0,1]=4 199 B9R1.34 CC1CC(=O)CC(=O)N1 MCULE-4178844211 [1,0,1,0,0,0|1,0,1]=4 200 B9R1.34 CC1CC(=O)CC(C1)C MCULE-7560602452 [1,0,1,0,0,0|1,0,0]=3 201 B9R1.34 CC1CC(=O)CC(N1)C MCULE-6804146726 [1,0,1,0,0,0|0,0,0]=2 202 B9R1.34 CC1CC(=O)CC(N1)C MCULE-6840092000 [1,0,1,0,0,0|0,0,0]=2 203 B9R1.34 CC1CC(=O)CC(O1)C MCULE-3466195629 [1,0,1,0,0,0|1,0,0]=3 204 B9R1.34 CC1CC(CC(N1)C)N MCULE-6636033754 [1,0,1,0,0,0|1,0,1]=4 205 B9R1.34 CC1CC(CC(N1)C)O MCULE-8501155054 [1,0,1,0,0,0|0,0,2]=4 206 B9R1.34 CC1CC(CC(N1)C)O MCULE-9792793633 [1,0,1,0,0,0|0,0,2]=4 207 B9R1.34 CC1CC(NC(C1)C)C MCULE-3818865242 [1,0,1,0,0,0|1,0,1]=4 208 B9R1.34 CC1CC(NC(C1)C)C MCULE-6424784249 [1,0,1,0,0,0|1,0,1]=4 209 B9R1.34 CC1CN(CC(N1)C)C MCULE-6645813843 [1,0,1,0,0,0|2,0,0]=4 210 B9R1.34 CC1C[C@@H](N[C@@H](C1)C)C MCULE-2478664228 [1,0,1,0,0,0|1,0,1]=4 211 B9R1.34 CC1C[C@@H](N[C@@H](C1)C)C MCULE-9781173688 [1,0,1,0,0,0|1,0,1]=4 212 B9R1.34 C[C@@H]1CC(=O)C[C@H](N1)C MCULE-8209155173 [1,0,1,0,0,0|0,0,0]=2 213 B9R1.34 C[C@@H]1CC(=O)C[C@H](N1)C MCULE-9446746465 [1,0,1,0,0,0|0,0,0]=2 214 B9R1.34 C[C@@H]1CC(=O)C[C@H](O1)C MCULE-7023432709 [1,0,1,0,0,0|1,0,0]=3 215 B9R1.34 C[C@@H]1CC(C[C@H](N1)C)O MCULE-2538025513 [1,0,1,0,0,0|0,0,2]=4 216 B9R1.34 C[C@@H]1CC(C[C@H](N1)C)O MCULE-8633121448 [1,0,1,0,0,0|0,0,2]=4 217 B9R1.34 C[C@H]1CC(=O)CC(=O)N1 MCULE-6238430821 [1,0,1,0,0,0|1,0,1]=4 218 B9R1.34 C[C@H]1CC(=O)C[C@@H](N1)C MCULE-2788235613 [1,0,1,0,0,0|0,0,0]=2 219 B9R1.34 C[C@H]1CC(=O)C[C@@H](N1)C MCULE-5366721571 [1,0,1,0,0,0|0,0,0]=2 220 B9R1.34 C[C@H]1CC(=O)C[C@H](N1)C MCULE-5181389040 [1,0,1,0,0,0|0,0,0]=2 221 B9R1.34 C[C@H]1CC(=O)C[C@H](N1)C MCULE-6787698072 [1,0,1,0,0,0|0,0,0]=2 222 B9R1.34 C[C@H]1CC(=O)C[C@H](O1)C MCULE-6710108830 [1,0,1,0,0,0|1,0,0]=3 223 B9R1.69 CC1CC(=O)CCC1=O MCULE-2258739718 [1,0,1,0,0,0|2,0,0]=4 224 B9R1.69 CC1CC(=O)CCC1O MCULE-7552412875 [1,0,1,0,0,0|2,0,0]=4 225 B9R1.69 CC1CC(=O)CCN1C MCULE-7342530598 [1,0,1,0,0,0|0,0,0]=2 226 B9R1.69 CC1CC(CCN1C)N MCULE-1456184679 [1,0,1,0,0,0|1,0,1]=4 227 B9R1.69 CC1CC(CCN1C)N MCULE-5556551151 [1,0,1,0,0,0|1,0,1]=4 228 B9R1.69 CC1CC(CCN1C)O MCULE-1191672097 [1,0,1,0,0,0|0,0,2]=4 229 B9R1.69 CC1CCC(=O)CC1C MCULE-5304188182 [1,0,1,0,0,0|1,0,0]=3 230 B9R1.69 CN1CCC(=O)CC1=O MCULE-7583281341 [1,0,1,0,0,0|1,0,1]=4 231 B9R1.69 C[C@@H]1CC(=O)CC[C@@H]1O MCULE-8675773780 [1,0,1,0,0,0|2,0,0]=4 232 B9R1.69 C[C@@H]1C[C@@H](CCN1C)N MCULE-3721381465 [1,0,1,0,0,0|1,0,1]=4 233 B9R1.69 C[C@@H]1C[C@@H](CCN1C)O MCULE-3810592624 [1,0,1,0,0,0|0,0,2]=4 234 B9R1.69 C[C@@H]1C[C@H](CCN1C)N MCULE-5136669781 [1,0,1,0,0,0|1,0,1]=4 235 B9R1.69 C[C@@H]1C[C@H](CCN1C)N MCULE-5278892247 [1,0,1,0,0,0|1,0,1]=4 236 B9R1.69 C[C@@H]1C[C@H](CCN1C)N MCULE-5583425986 [1,0,1,0,0,0|1,0,1]=4 237 B9R1.69 C[C@@H]1C[C@H](CCN1C)N MCULE-8741647515 [1,0,1,0,0,0|1,0,1]=4 238 B9R1.69 C[C@@H]1C[C@H](CCN1C)O MCULE-9999971568 [1,0,1,0,0,0|0,0,2]=4 239 B9R1.69 C[C@H]1CC(=O)CC[C@@H]1O MCULE-5873948412 [1,0,1,0,0,0|2,0,0]=4 240 B9R1.69 C[C@H]1C[C@@H](CCN1C)O MCULE-6393127551 [1,0,1,0,0,0|0,0,2]=4 241 B9R1.69 C[C@H]1C[C@H](CCN1C)N MCULE-2144984380 [1,0,1,0,0,0|1,0,1]=4 242 B9R1.69 C[C@H]1C[C@H](CCN1C)N MCULE-4997135030 [1,0,1,0,0,0|1,0,1]=4 243 B9R1.69 C[C@H]1C[C@H](CCN1C)O MCULE-9074192480 [1,0,1,0,0,0|0,0,2]=4 244 B9R1.2 CCC1CC(=O)CCN1 MCULE-1220676585 [1,0,1,0,0,0|0,0,0]=2 245 B9R1.2 CCC1CC(=O)CCN1 MCULE-3141090997 [1,0,1,0,0,0|0,0,0]=2 246 B9R1.2 CCC1CC(=O)CCO1 MCULE-5885330152 [1,0,1,0,0,0|1,0,0]=3 247 B9R1.2 CCC1CC(CCN1)O MCULE-4953737441 [1,0,1,0,0,0|0,0,2]=4 248 B9R1.2 CCC1CC(CCN1)O MCULE-9634837614 [1,0,1,0,0,0|0,0,2]=4 249 B9R1.2 CCC1CCCC(=O)C1 MCULE-2309757845 [1,0,1,0,0,0|1,0,0]=3 250 B9R1.2 CCC1CCCC(=O)N1 MCULE-7034650517 [1,0,1,0,0,0|2,0,0]=4 251 B9R1.2 CCC1CCNC(=O)C1 MCULE-7827721769 [1,0,1,0,0,0|2,0,0]=4 252 B9R1.2 CCC1CN(CCN1)C MCULE-3404042238 [1,0,1,0,0,0|2,0,0]=4 253 B9R1.2 CCC1CN(CCN1)C MCULE-4328602525 [1,0,1,0,0,0|2,0,0]=4 254 B9R1.2 CCN1CCCC(=O)C1 MCULE-1438900169 [1,0,1,0,0,0|2,0,0]=4 255 B9R1.2 CCN1CCCC(=O)C1 MCULE-2924579479 [1,0,1,0,0,0|2,0,0]=4 256 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-6816021578 [1,0,1,0,0,0|0,0,0]=2 257 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-7481609929 [1,0,1,0,0,0|0,0,0]=2 258 B9R1.2 CC[C@@H]1CCCC(=O)C1 MCULE-3781767777 [1,0,1,0,0,0|1,0,0]=3 259 B9R1.2 CC[C@@H]1C[C@@H](CCN1)O MCULE-1934337871 [1,0,1,0,0,0|0,0,2]=4 260 B9R1.2 CC[C@@H]1C[C@@H](CCN1)O MCULE-5295834203 [1,0,1,0,0,0|0,0,2]=4 261 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-1797323490 [1,0,1,0,0,0|0,0,0]=2 262 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-7692205564 [1,0,1,0,0,0|0,0,0]=2 263 B9R1.2 CC[C@H]1CCCC(=O)C1 MCULE-5055612080 [1,0,1,0,0,0|1,0,0]=3 264 B9R1.2 CC[C@H]1CN(CCN1)C MCULE-1300459552 [1,0,1,0,0,0|2,0,0]=4 265 B9R1.2 CC[C@H]1CN(CCN1)C MCULE-4034711065 [1,0,1,0,0,0|2,0,0]=4 266 B9R1.2 COC1CCCC(=O)C1 MCULE-4121364026 [1,0,1,0,0,0|2,0,0]=4 267 B9R1.2 CSC1CCCC(=O)C1 MCULE-3076571291 [1,0,1,0,0,0|2,0,0]=4 268 B9R1.2 O=C1CCCC(C1)CF MCULE-4859859394 [1,0,1,0,0,0|2,0,0]=4 269 B9R1.2 O=C1CCCC(C1)CO MCULE-5732276352 [1,0,1,0,0,0|2,0,0]=4 270 B9R1.2 O=C1CCC[C@H](C1)CO MCULE-7659844168 [1,0,1,0,0,0|2,0,0]=4 271 B9R1.15 CCC1CCCCC1C MCULE-1792942786 [1,0,1,0,0,0|1,0,1]=4 272 B9R1.15 CCC1CNCCN1C MCULE-1868671893 [1,0,1,0,0,0|1,0,0]=3 273 B9R1.15 CCC1CNCCN1C MCULE-7509012326 [1,0,1,0,0,0|1,0,0]=3 274 B9R1.15 CC[C@@H]1CNCCN1C MCULE-1000331069 [1,0,1,0,0,0|1,0,0]=3 275 B9R1.15 CC[C@@H]1CNCCN1C MCULE-5298337784 [1,0,1,0,0,0|1,0,0]=3 276 B9R1.15 CC[C@@H]1CNCCN1C MCULE-5453017237 [1,0,1,0,0,0|1,0,0]=3 277 B9R1.15 CC[C@@H]1CNCCN1C MCULE-8354240129 [1,0,1,0,0,0|1,0,0]=3 278 B9R1.15 CC[C@H]1CNCCN1C MCULE-2554087946 [1,0,1,0,0,0|1,0,0]=3 279 B9R1.15 CC[C@H]1CNCCN1C MCULE-5024689384 [1,0,1,0,0,0|1,0,0]=3 280 B9R1.15 CC[C@H]1CNCCN1C MCULE-8437686865 [1,0,1,0,0,0|1,0,0]=3 281 B9R1.15 CC[C@H]1CNCCN1C MCULE-9437406245 [1,0,1,0,0,0|1,0,0]=3 282 B9R1.15 CN1CCCCC1CBr MCULE-3728031205 [1,0,1,0,0,0|1,0,1]=4 283 B9R1.15 CN1CCCCC1CBr MCULE-6733933371 [1,0,1,0,0,0|1,0,1]=4 284 B9R1.15 CN1CCCCC1CCl MCULE-1207908283 [1,0,1,0,0,0|1,0,1]=4 285 B9R1.15 CN1CCCCC1CCl MCULE-8530079563 [1,0,1,0,0,0|1,0,1]=4 286 B9R1.15 CN1CCCCC1CN MCULE-7056988540 [1,0,1,0,0,0|1,0,1]=4 287 B9R1.15 CN1CCCCC1CN MCULE-7969324848 [1,0,1,0,0,0|1,0,1]=4 288 B9R1.15 CN1CCCCC1CN MCULE-9107319494 [1,0,1,0,0,0|1,0,1]=4 289 B9R1.15 CN1CCCCC1CO MCULE-6705032794 [1,0,1,0,0,0|1,0,1]=4 290 B9R1.15 CN1CCCCC1CO MCULE-7433359891 [1,0,1,0,0,0|1,0,1]=4 291 B9R1.15 CN1CCCC[C@@H]1CO MCULE-4169808027 [1,0,1,0,0,0|1,0,1]=4 292 B9R1.15 CN1CCCC[C@@H]1CO MCULE-5806828736 [1,0,1,0,0,0|1,0,1]=4 293 B9R1.15 CN1CCCC[C@H]1CO MCULE-5720351306 [1,0,1,0,0,0|1,0,1]=4 294 B9R1.15 CN1CCCC[C@H]1CO MCULE-6512254506 [1,0,1,0,0,0|1,0,1]=4 295 B9R1.15 CN1CCNCC1CF MCULE-2050631707 [1,0,1,0,0,0|2,0,0]=4 296 B9R1.15 CN1CCNCC1CF MCULE-7425838197 [1,0,1,0,0,0|2,0,0]=4 297 B9R1.15 CN1CCNCC1CN MCULE-4374107229 [1,0,1,0,0,0|2,0,0]=4 298 B9R1.15 CN1CCNCC1CO MCULE-7112745401 [1,0,1,0,0,0|2,0,0]=4 299 B9R1.15 CN1CCNCC1CO MCULE-8816850395 [1,0,1,0,0,0|2,0,0]=4 300 B9R1.15 CN1CCOCC1CN MCULE-2623897181 [1,0,1,0,0,0|2,0,0]=4 301 B9R1.15 CN1CCOCC1CN MCULE-9594066530 [1,0,1,0,0,0|2,0,0]=4 302 B9R1.15 CN1CCOCC1CO MCULE-2139047530 [1,0,1,0,0,0|2,0,0]=4 303 B9R1.15 CN1CCOCC1CO MCULE-4226067396 [1,0,1,0,0,0|2,0,0]=4 304 B9R1.15 CN1CCOCC1CO MCULE-9641882387 [1,0,1,0,0,0|2,0,0]=4 305 B9R1.15 CN1CCOC[C@@H]1CN MCULE-1095994023 [1,0,1,0,0,0|2,0,0]=4 306 B9R1.15 CN1CCOC[C@@H]1CN MCULE-1169616561 [1,0,1,0,0,0|2,0,0]=4 307 B9R1.15 CN1CCOC[C@@H]1CN MCULE-5187873186 [1,0,1,0,0,0|2,0,0]=4 308 B9R1.15 CN1CCOC[C@@H]1CN MCULE-7882001609 [1,0,1,0,0,0|2,0,0]=4 309 B9R1.15 CN1CCOC[C@@H]1CO MCULE-6676365616 [1,0,1,0,0,0|2,0,0]=4 310 B9R1.15 CN1CCOC[C@@H]1CO MCULE-7199870435 [1,0,1,0,0,0|2,0,0]=4 311 B9R1.15 CN1CCOC[C@H]1CN MCULE-6452214978 [1,0,1,0,0,0|2,0,0]=4 312 B9R1.15 CN1CCOC[C@H]1CN MCULE-9193603176 [1,0,1,0,0,0|2,0,0]=4 313 B9R1.15 CN1CCOC[C@H]1CO MCULE-1567784253 [1,0,1,0,0,0|2,0,0]=4 314 B9R1.15 CN1CCOC[C@H]1CO MCULE-4386696956 [1,0,1,0,0,0|2,0,0]=4 315 B9R1.15 CN1CCOC[C@H]1CO MCULE-4994265717 [1,0,1,0,0,0|2,0,0]=4 316 B9R1.15 CN1CCOC[C@H]1CO MCULE-9355808488 [1,0,1,0,0,0|2,0,0]=4 317 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [1,0,1,0,0,0|1,0,0]=3 318 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [1,0,1,0,0,0|1,0,0]=3 319 B9R1.13 C1(CCCN1)CN(C)C MCULE-4284415560 [1,0,1,0,0,0|2,0,0]=4 320 B9R1.13 CC(=O)CC1C=CCC1 MCULE-6918580278 [1,0,1,0,0,0|1,0,1]=4 321 B9R1.13 CC(=O)CC1CCCC1 MCULE-5830536761 [1,0,1,0,0,0|1,0,0]=3 322 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [1,0,1,0,0,0|1,0,0]=3 323 B9R1.13 CC(=O)CC1CCOC1 MCULE-2391008206 [1,0,1,0,0,0|2,0,0]=4 324 B9R1.13 CC(=O)CC1OCCO1 MCULE-2632722648 [1,0,1,0,0,0|2,0,0]=4 325 B9R1.13 CC(=O)CN1CCCC1 MCULE-7257105125 [1,0,1,0,0,0|2,0,0]=4 326 B9R1.13 CC(=O)NC1CCCC1 MCULE-5984597819 [1,0,1,0,0,0|2,0,0]=4 327 B9R1.13 CC(=O)OC1CCCC1 MCULE-7737656947 [1,0,1,0,0,0|2,0,0]=4 328 B9R1.13 CC(=O)OC1CCCO1 MCULE-9160883410 [1,0,1,0,0,0|2,0,0]=4 329 B9R1.13 CC(C)CC1CCCN1 MCULE-1997095742 [1,0,1,0,0,0|1,0,1]=4 330 B9R1.13 CC(C)CC1CCCN1 MCULE-6128010231 [1,0,1,0,0,0|1,0,1]=4 331 B9R1.13 CC(O)CC1CCCN1 MCULE-7800705257 [1,0,1,0,0,0|0,0,2]=4 332 B9R1.13 CN(C)CC1CCCN1 MCULE-1975946239 [1,0,1,0,0,0|2,0,0]=4 333 B9R1.13 CN(C)CC1CCCN1 MCULE-2519779706 [1,0,1,0,0,0|2,0,0]=4 334 B9R1.13 CN(C)CC1CCCN1 MCULE-5155079502 [1,0,1,0,0,0|2,0,0]=4 335 B9R1.13 CN(C)CC1CCCN1 MCULE-6089779457 [1,0,1,0,0,0|2,0,0]=4 336 B9R1.13 CN(C)CC1CCCN1 MCULE-9026626888 [1,0,1,0,0,0|2,0,0]=4 337 B9R1.13 CN(C)C[C@@H]1CCCN1 MCULE-1696350889 [1,0,1,0,0,0|2,0,0]=4 338 B9R1.13 CN(C)C[C@@H]1CCCN1 MCULE-2874838081 [1,0,1,0,0,0|2,0,0]=4 339 B9R1.13 CN(C)C[C@@H]1CCCN1 MCULE-5227126984 [1,0,1,0,0,0|2,0,0]=4 340 B9R1.13 CN(C)C[C@@H]1CCCN1 MCULE-7816053120 [1,0,1,0,0,0|2,0,0]=4 341 B9R1.13 CN(C)C[C@@H]1CCCN1 MCULE-8673045914 [1,0,1,0,0,0|2,0,0]=4 342 B9R1.13 CN(C)C[C@@H]1CCCN1 MCULE-9551683468 [1,0,1,0,0,0|2,0,0]=4 343 B9R1.13 CN(C)C[C@H]1CCCN1 MCULE-2122309992 [1,0,1,0,0,0|2,0,0]=4 344 B9R1.13 CN(C)C[C@H]1CCCN1 MCULE-3137819579 [1,0,1,0,0,0|2,0,0]=4 345 B9R1.13 CN(C)C[C@H]1CCCN1 MCULE-3880126372 [1,0,1,0,0,0|2,0,0]=4 346 B9R1.13 CN(C)C[C@H]1CCCN1 MCULE-6996711489 [1,0,1,0,0,0|2,0,0]=4 347 B9R1.13 NC(=O)CC1CCCC1 MCULE-2082339108 [1,0,1,0,0,0|2,0,0]=4 348 B9R1.13 NC(=O)CC1CCCN1 MCULE-2142594957 [1,0,1,0,0,0|1,0,0]=3 349 B9R1.13 NC(=O)CC1CCCN1 MCULE-8011902334 [1,0,1,0,0,0|1,0,0]=3 350 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-2790931086 [1,0,1,0,0,0|1,0,0]=3 351 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3723741843 [1,0,1,0,0,0|1,0,0]=3 352 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3877903747 [1,0,1,0,0,0|1,0,0]=3 353 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-5587287647 [1,0,1,0,0,0|1,0,0]=3 354 B9R1.13 O=C(Cl)CC1CCCC1 MCULE-1532102571 [1,0,1,0,0,0|2,0,0]=4 355 B9R1.13 O=C(Cl)CC1CCCO1 MCULE-6649417514 [1,0,1,0,0,0|2,0,0]=4 356 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [1,0,1,0,0,0|2,0,0]=4 357 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [1,0,1,0,0,0|1,0,0]=3 358 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [1,0,1,0,0,0|1,0,0]=3 359 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [1,0,1,0,0,0|2,0,0]=4 360 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [1,0,1,0,0,0|1,0,0]=3 361 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [1,0,1,0,0,0|1,0,0]=3 362 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [1,0,1,0,0,0|1,0,0]=3 363 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [1,0,1,0,0,0|2,0,0]=4 364 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [1,0,1,0,0,0|1,0,0]=3 365 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [1,0,1,0,0,0|1,0,0]=3 366 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [1,0,1,0,0,0|1,0,0]=3 367 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [1,0,1,0,0,0|1,0,0]=3 368 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [1,0,1,0,0,0|1,0,0]=3 369 B9R1.33 CN1CCCC1CCCl MCULE-3811312100 [1,0,1,0,0,0|1,0,1]=4 370 B9R1.33 CN1CCCC1CCCl MCULE-7223827292 [1,0,1,0,0,0|1,0,1]=4 371 B9R1.33 CN1CCCC1CCN MCULE-3891304044 [1,0,1,0,0,0|1,0,1]=4 372 B9R1.33 CN1CCCC1CCN MCULE-7026227753 [1,0,1,0,0,0|1,0,1]=4 373 B9R1.33 CN1CCCC1CCO MCULE-3612604787 [1,0,1,0,0,0|0,0,2]=4 374 B9R1.33 CN1CCC[C@@H]1CCN MCULE-3057368635 [1,0,1,0,0,0|1,0,1]=4 375 B9R1.33 CN1CCC[C@@H]1CCN MCULE-6920346222 [1,0,1,0,0,0|1,0,1]=4 376 B9R1.33 CN1CCC[C@@H]1CCN MCULE-9361017838 [1,0,1,0,0,0|1,0,1]=4 377 B9R1.33 CN1CCC[C@@H]1CCO MCULE-4024477366 [1,0,1,0,0,0|0,0,2]=4 378 B9R1.33 CN1CCC[C@@H]1CCO MCULE-6759736828 [1,0,1,0,0,0|0,0,2]=4 379 B9R1.33 CN1CCC[C@H]1CC#N MCULE-5829275265 [1,0,1,0,0,0|1,0,1]=4 380 B9R1.33 CN1CCC[C@H]1CCN MCULE-3471635074 [1,0,1,0,0,0|1,0,1]=4 381 B9R1.33 CN1CCC[C@H]1CCN MCULE-5692291515 [1,0,1,0,0,0|1,0,1]=4 382 B9R1.33 CN1CCC[C@H]1CCN MCULE-5695739693 [1,0,1,0,0,0|1,0,1]=4 383 B9R1.33 CN1CCC[C@H]1CCN MCULE-5859217243 [1,0,1,0,0,0|1,0,1]=4 384 B9R1.33 CN1CCC[C@H]1CCO MCULE-6063605807 [1,0,1,0,0,0|0,0,2]=4 385 B9R1.33 CN1CCC[C@H]1CCO MCULE-8959854431 [1,0,1,0,0,0|0,0,2]=4 386 B9R1.33 CNCC1CCCN1C MCULE-3812938793 [1,0,1,0,0,0|1,0,0]=3 387 B9R1.33 CNCC1CCCN1C MCULE-5730338691 [1,0,1,0,0,0|1,0,0]=3 388 B9R1.33 CNCC1CCCN1C MCULE-8050481955 [1,0,1,0,0,0|1,0,0]=3 389 B9R1.33 CNC[C@@H]1CCCN1C MCULE-5808972375 [1,0,1,0,0,0|1,0,0]=3 390 B9R1.33 CNC[C@@H]1CCCN1C MCULE-9289852103 [1,0,1,0,0,0|1,0,0]=3 391 B9R1.33 CNC[C@H]1CCCN1C MCULE-3503334706 [1,0,1,0,0,0|1,0,0]=3 392 B9R1.33 CNC[C@H]1CCCN1C MCULE-6552278914 [1,0,1,0,0,0|1,0,0]=3 393 B9R1.33 COCC1CCCN1N MCULE-6988443424 [1,0,1,0,0,0|2,0,0]=4 394 B9R1.33 COC[C@@H]1CCCN1N MCULE-3051184560 [1,0,1,0,0,0|2,0,0]=4 395 B9R1.33 COC[C@@H]1CCCN1N MCULE-8980221130 [1,0,1,0,0,0|2,0,0]=4 396 B9R1.33 COC[C@H]1CCCN1N MCULE-2874814564 [1,0,1,0,0,0|2,0,0]=4 397 B9R1.33 COC[C@H]1CCCN1N MCULE-4674244085 [1,0,1,0,0,0|2,0,0]=4 398 B9R1.33 COC[C@H]1CCCN1N MCULE-5407605601 [1,0,1,0,0,0|2,0,0]=4 399 B9R1.33 COC[C@H]1CCCN1N MCULE-7726859230 [1,0,1,0,0,0|2,0,0]=4 400 B9R1.48 CC1=CC(=O)CCCC1 MCULE-5466118884 [1,0,1,0,0,0|0,0,2]=4 401 B9R1.48 CC1CC(=O)NCCN1 MCULE-4537177994 [1,0,1,0,0,0|2,0,0]=4 402 B9R1.48 CC1CC(=O)NCCS1 MCULE-3715670462 [1,0,1,0,0,0|2,0,0]=4 403 B9R1.48 CC1CCCCC(=O)C1 MCULE-5791948972 [1,0,1,0,0,0|0,0,0]=2 404 B9R1.48 CC1CCCCC(=O)N1 MCULE-8985894348 [1,0,1,0,0,0|1,0,0]=3 405 B9R1.48 CC1CNCCC(=O)N1 MCULE-3663408616 [1,0,1,0,0,0|2,0,0]=4 406 B9R1.48 CC1CNCCS(=O)C1 MCULE-4138647352 [1,0,1,0,0,0|2,0,0]=4 407 B9R1.48 CC1CNCCS(=O)C1 MCULE-4597207487 [1,0,1,0,0,0|2,0,0]=4 408 B9R1.48 CN1CCCCC(C1)N MCULE-8384083495 [1,0,1,0,0,0|2,0,0]=4 409 B9R1.48 CN1CCCNC(=O)C1 MCULE-9846049599 [1,0,1,0,0,0|2,0,0]=4 410 B9R1.48 C[C@H]1CC(=O)NCCN1 MCULE-6214285788 [1,0,1,0,0,0|2,0,0]=4 411 B9R1.48 NC1CCCCC(C1)O MCULE-5548192102 [1,0,1,0,0,0|0,0,2]=4 412 B9R1.48 NC1CCCCC(C1)O MCULE-8953029807 [1,0,1,0,0,0|0,0,2]=4 413 B9R1.48 NC1CCCNC(=O)C1 MCULE-3170887073 [1,0,1,0,0,0|1,0,0]=3 414 B9R1.48 N[C@@H]1CCCC[C@@H](C1)O MCULE-7609350144 [1,0,1,0,0,0|0,0,2]=4 415 B9R1.48 N[C@@H]1CCCC[C@@H](C1)O MCULE-9626764594 [1,0,1,0,0,0|0,0,2]=4 416 B9R1.48 N[C@@H]1CCCC[C@H](C1)O MCULE-4772681431 [1,0,1,0,0,0|0,0,2]=4 417 B9R1.48 N[C@@H]1CCCC[C@H](C1)O MCULE-6968396232 [1,0,1,0,0,0|0,0,2]=4 418 B9R1.48 N[C@H]1CCCC[C@@H](C1)O MCULE-4503660630 [1,0,1,0,0,0|0,0,2]=4 419 B9R1.48 N[C@H]1CCCC[C@@H](C1)O MCULE-4564760854 [1,0,1,0,0,0|0,0,2]=4 420 B9R1.48 N[C@H]1CCCC[C@H](C1)O MCULE-2271050688 [1,0,1,0,0,0|0,0,2]=4 421 B9R1.48 N[C@H]1CCCC[C@H](C1)O MCULE-7801993304 [1,0,1,0,0,0|0,0,2]=4 422 B9R1.48 O=C1CC(CCCN1)O MCULE-6648954515 [1,0,1,0,0,0|2,0,0]=4 423 B9R1.48 O=C1CCCCC(=O)C1 MCULE-7105668998 [1,0,1,0,0,0|1,0,1]=4 424 B9R1.48 O=C1CCCCC(N1)O MCULE-6756895418 [1,0,1,0,0,0|2,0,0]=4 425 B9R1.89 CNC1CCCCCC1 MCULE-3477928342 [1,0,1,0,0,0|0,0,1]=3 426 B9R1.89 CNC1CCCCCC1 MCULE-9182986806 [1,0,1,0,0,0|0,0,1]=3 427 B9R1.89 CNC1CCCCNC1 MCULE-4863452887 [1,0,1,0,0,0|1,0,0]=3 428 B9R1.89 CNC1CCCNCC1 MCULE-5093645225 [1,0,1,0,0,0|1,0,1]=4 429 B9R1.89 NNC1CCCCCC1 MCULE-1821259900 [1,0,1,0,0,0|1,0,1]=4 430 B9R1.89 NNC1CCCCCC1 MCULE-6325204009 [1,0,1,0,0,0|1,0,1]=4 431 B9R1.89 NNC1CCCCCC1 MCULE-7894671218 [1,0,1,0,0,0|1,0,1]=4 432 B9R2.68 C1=CC2CCC(C1)C2 MCULE-8992637581 [2,0,0,0,0,0|1,0,1]=4 433 B9R2.68 C1=CC2CCC(C1)N2 MCULE-1995611558 [2,0,0,0,0,0|0,0,1]=3 434 B9R2.68 C1=CC2CCC(C1)N2 MCULE-9979902994 [2,0,0,0,0,0|0,0,1]=3 435 B9R2.68 C1CC2CCC(C1)N2 MCULE-4168667116 [2,0,0,0,0,0|0,0,1]=3 436 B9R2.68 C1CC2CCC(C1)N2 MCULE-7236821450 [2,0,0,0,0,0|0,0,1]=3 437 B9R2.68 C1CC2CNCC1C2 MCULE-4832064037 [2,0,0,0,0,0|2,0,0]=4 438 B9R2.68 C1CC2CNCC1C2 MCULE-5527128917 [2,0,0,0,0,0|2,0,0]=4 439 B9R2.68 C1CC2CNCC1N2 MCULE-6758551830 [2,0,0,0,0,0|1,0,0]=3 440 B9R2.68 C1CC2CNCC1N2 MCULE-9309176741 [2,0,0,0,0,0|1,0,0]=3 441 B9R2.68 C1CC2CNCC1O2 MCULE-4093579653 [2,0,0,0,0,0|2,0,0]=4 442 B9R2.68 C1CC2CNCC1O2 MCULE-7085546243 [2,0,0,0,0,0|2,0,0]=4 443 B9R2.68 C1CC2COCC1N2 MCULE-4364135558 [2,0,0,0,0,0|1,0,0]=3 444 B9R2.68 C1CC2COCC1N2 MCULE-4651198099 [2,0,0,0,0,0|1,0,0]=3 445 B9R2.68 C1CC2COCC1N2 MCULE-6438572612 [2,0,0,0,0,0|1,0,0]=3 446 B9R2.68 C1CC2CSCC1N2 MCULE-3835664527 [2,0,0,0,0,0|1,0,0]=3 447 B9R2.68 C1CC2CSCC1N2 MCULE-7790056871 [2,0,0,0,0,0|1,0,0]=3 448 B9R2.68 C1C[C@@H]2CC[C@@H](C1)N2 MCULE-5766645012 [2,0,0,0,0,0|0,0,1]=3 449 B9R2.68 C1C[C@@H]2CC[C@@H](C1)N2 MCULE-7351504566 [2,0,0,0,0,0|0,0,1]=3 450 B9R2.68 C1C[C@@H]2CNC[C@H]1N2 MCULE-9979738536 [2,0,0,0,0,0|1,0,0]=3 451 B9R2.68 C1C[C@@H]2CNC[C@H]1O2 MCULE-4494116231 [2,0,0,0,0,0|2,0,0]=4 452 B9R2.68 C1C[C@@H]2COC[C@H]1N2 MCULE-3233873038 [2,0,0,0,0,0|1,0,0]=3 453 B9R2.68 C1C[C@H]2CNC[C@@H]1C2 MCULE-3223751153 [2,0,0,0,0,0|2,0,0]=4 454 B9R2.68 C1C[C@H]2CNC[C@@H]1C2 MCULE-9016762675 [2,0,0,0,0,0|2,0,0]=4 455 B9R2.68 [C@@H]12C=CC[C@@H](C1)CC2 MCULE-3286132303 [2,0,0,0,0,0|1,0,1]=4 456 B9R2.68 [C@@H]12C=CC[C@@H](C1)CC2 MCULE-8863392768 [2,0,0,0,0,0|1,0,1]=4 457 B9R2.68 [C@@H]12CCC[C@@H](N1)CC2 MCULE-7591609146 [2,0,0,0,0,0|0,0,1]=3 458 B9R2.68 [C@@H]12CC[C@@H](N1)COC2 MCULE-3554003344 [2,0,0,0,0,0|1,0,0]=3 459 B9R2.68 [C@@H]12CC[C@@H](N1)COC2 MCULE-3809152526 [2,0,0,0,0,0|1,0,0]=3 460 B9R2.68 [C@@H]12CC[C@@H](O1)CNC2 MCULE-9999049079 [2,0,0,0,0,0|2,0,0]=4 461 B11R1.14 CC1CN(CC(N1C)C)N=O MCULE-4191902908 [0,1,1,0,0,0|1,0,0]=3 462 B11R1.325 CC1CC(=O)CC(C1=O)(C)C MCULE-1145217211 [0,1,1,0,0,0|2,0,0]=4 463 B11R1.325 CC1CC(=O)CC(C1O)(C)C MCULE-5516878609 [0,1,1,0,0,0|2,0,0]=4 464 B11R1.167 CC(N)C1CN(CCN1C)C MCULE-1746075961 [0,1,1,0,0,0|2,0,0]=4 465 B11R1.182 CN1CCN(C(C1)CCO)C MCULE-2822638846 [0,1,1,0,0,0|2,0,0]=4 466 B11R1.228 COC(=O)C=C1CCCN1C MCULE-5736162283 [0,1,1,0,0,0|0,0,2]=4 467 B11R1.228 COC(=O)CC1CCCC1=O MCULE-1943898216 [0,1,1,0,0,0|2,0,0]=4 468 B11R1.234 CC1(CCCC1CC(=O)O)C MCULE-1912808272 [0,1,1,0,0,0|2,0,0]=4 469 B11R1.313 CN1C(=O)CCC1CC(=O)O MCULE-1301520944 [0,1,1,0,0,0|1,0,1]=4 470 B11R1.110 NCCC1CCCCC(=O)N1 MCULE-2147581863 [0,1,1,0,0,0|2,0,0]=4 471 B11R1.110 NCCC1CCCCC(=O)N1 MCULE-8292359667 [0,1,1,0,0,0|2,0,0]=4 472 B11R1.381 CCC1CCCCC(=O)N1C MCULE-7428713358 [0,1,1,0,0,0|2,0,0]=4 473 B11R1.381 CN[C@@H]1CCCC[C@H]([C@@H]1O)O MCULE-5900059446 [0,1,1,0,0,0|0,0,2]=4 474 B11R1.497 CC(=O)C1CCCCC(=O)C1 MCULE-8090726810 [0,1,1,0,0,0|1,0,0]=3 475 B11R1.497 O=C1CCCCC(C1)C(=O)O MCULE-7646723801 [0,1,1,0,0,0|2,0,0]=4 476 B11R2.63 CN1C2CCC(=O)C1CC2 MCULE-7262766429 [1,1,0,0,0,0|0,0,2]=4 477 B11R2.63 CN1C2CCC(C1CC2)N MCULE-7284186798 [1,1,0,0,0,0|0,0,1]=3 478 B11R2.63 CN1C2CCC(C1CC2)N MCULE-7528395663 [1,1,0,0,0,0|0,0,1]=3 479 B11R2.63 CN1C2CCC1[C@@H](CC2)N MCULE-9409912829 [1,1,0,0,0,0|0,0,1]=3 480 B11R2.63 [C@H]12CC[C@@H]([C@H](N1C)CC2)N MCULE-2444185361 [1,1,0,0,0,0|0,0,1]=3 481 B11R2.63 [C@H]12CC[C@@H]([C@H](N1C)CC2)N MCULE-3232809525 [1,1,0,0,0,0|0,0,1]=3 482 B11R2.120 CN1C2CCCC1C(=O)C2 MCULE-1515732272 [1,1,0,0,0,0|0,0,2]=4 483 B11R2.120 CN1C2CCCC1C(=O)C2 MCULE-1584297545 [1,1,0,0,0,0|0,0,2]=4 484 B11R2.120 CN1C2CCCC1C(C2)O MCULE-3808517273 [1,1,0,0,0,0|0,0,1]=3 485 B11R2.120 [C@@H]12CCC[C@@H](N1C)C[C@@H]2O MCULE-5039731311 [1,1,0,0,0,0|0,0,1]=3 486 B11R2.120 [C@@H]12CCC[C@@H](N1C)C[C@H]2O MCULE-3578580608 [1,1,0,0,0,0|0,0,1]=3 487 B11R2.232 C12CCC(C1OC)CNC2 MCULE-5316675751 [1,1,0,0,0,0|2,0,0]=4 488 B11R2.232 CCN1C2CCC1CNC2 MCULE-1077010841 [1,1,0,0,0,0|1,0,0]=3 489 B11R2.232 CCN1C2CCC1CNC2 MCULE-6616209945 [1,1,0,0,0,0|1,0,0]=3 490 B11R2.232 COC1C2CCC1CNC2 MCULE-5342795001 [1,1,0,0,0,0|2,0,0]=4 491 B11R2.232 CO[C@@H]1[C@H]2CC[C@@H]1CNC2 MCULE-4278375772 [1,1,0,0,0,0|2,0,0]=4 492 B11R2.232 CO[C@@H]1[C@H]2CC[C@@H]1CNC2 MCULE-7584346746 [1,1,0,0,0,0|2,0,0]=4 493 B11R2.232 OCC1C2CCC1CNC2 MCULE-1906901428 [1,1,0,0,0,0|2,0,0]=4 494 B11R2.232 OCC1C2CCC1CNC2 MCULE-5659837916 [1,1,0,0,0,0|2,0,0]=4 495 B11R2.566 CN1C2CCCC1(CC2)O MCULE-5294433412 [1,1,0,0,0,0|0,0,1]=3 496 B11R2.16 CC=C1CC2CCC(C1)N2 MCULE-6805948202 [1,1,0,0,0,0|1,0,0]=3 497 B11R2.16 CC=C1CC2CCC(C1)N2 MCULE-7339820313 [1,1,0,0,0,0|1,0,0]=3 498 B11R2.16 CCN1CC2CCC(C1)N2 MCULE-4538957521 [1,1,0,0,0,0|2,0,0]=4 499 B11R2.16 CCN1CC2CCC(C1)N2 MCULE-6448520197 [1,1,0,0,0,0|2,0,0]=4 500 B11R2.16 COC1CC2CCC(C1)N2 MCULE-4325967563 [1,1,0,0,0,0|0,0,2]=4 501 B11R2.16 COC1CC2CCC(C1)N2 MCULE-8836437126 [1,1,0,0,0,0|0,0,2]=4 502 B11R2.16 CO[C@@H]1C[C@@H]2CC[C@H](C1)N2 MCULE-5339705135 [1,1,0,0,0,0|0,0,2]=4 503 B11R2.16 CO[C@@H]1C[C@@H]2CC[C@H](C1)N2 MCULE-9388834791 [1,1,0,0,0,0|0,0,2]=4 504 B11R2.16 CSC1CC2CCC(C1)N2 MCULE-2226201841 [1,1,0,0,0,0|0,1,1]=4 505 B11R2.16 CSC1CC2CCC(C1)N2 MCULE-5003310187 [1,1,0,0,0,0|0,1,1]=4 506 B11R2.16 N#CC1CC2CCC(C1)N2 MCULE-3466657647 [1,1,0,0,0,0|1,0,1]=4 507 B11R2.16 N#CC1CC2CCC(C1)N2 MCULE-4107491518 [1,1,0,0,0,0|1,0,1]=4 508 B11R2.16 N#C[C@@H]1C[C@@H]2CC[C@H](C1)N2 MCULE-6636585584 [1,1,0,0,0,0|1,0,1]=4 509 B11R2.16 N#C[C@H]1C[C@@H]2CC[C@H](C1)N2 MCULE-6318017457 [1,1,0,0,0,0|1,0,1]=4 510 B11R2.16 N#C[C@H]1C[C@@H]2CC[C@H](C1)N2 MCULE-9003273729 [1,1,0,0,0,0|1,0,1]=4 511 B11R2.16 OCC1CC2CCC(C1)N2 MCULE-6916010910 [1,1,0,0,0,0|0,0,2]=4 512 B11R2.16 OCC1CC2CCC(C1)N2 MCULE-9073574170 [1,1,0,0,0,0|0,0,2]=4 513 B11R2.16 [C@@H]1(C[C@@H]2CC[C@H](C1)N2)CO MCULE-5734461427 [1,1,0,0,0,0|0,0,2]=4 514 B11R2.16 [C@@H]12CC[C@@H](N1)C[C@@H](C2)C#N MCULE-7728629566 [1,1,0,0,0,0|1,0,1]=4 515 B11R2.16 [C@@H]12CC[C@@H](N1)C[C@@H](C2)CO MCULE-3127676033 [1,1,0,0,0,0|0,0,2]=4 516 B11R2.16 [C@@H]12CC[C@@H](N1)C[C@@H](C2)CO MCULE-8932116310 [1,1,0,0,0,0|0,0,2]=4 517 B11R2.16 [C@@H]12CC[C@@H](N1)C[C@H](C2)CO MCULE-8625377496 [1,1,0,0,0,0|0,0,2]=4 518 B11R2.16 [C@@H]12CC[C@@H](N1)C[C@H](C2)OC MCULE-2686645022 [1,1,0,0,0,0|0,0,2]=4 519 B11R2.16 [C@@H]12CC[C@@H](N1)C[C@H](C2)OC MCULE-7657983972 [1,1,0,0,0,0|0,0,2]=4 520 B11R2.130 CC1C(=O)CC2CCC1N2 MCULE-5441225330 [1,1,0,0,0,0|0,0,0]=2 521 B11R2.130 CC1C(=O)CC2CCC1N2 MCULE-7611180044 [1,1,0,0,0,0|0,0,0]=2 522 B11R2.130 CC1C(CC2CCC1N2)O MCULE-1968753278 [1,1,0,0,0,0|0,0,2]=4 523 B11R2.130 CC1C(CC2CCC1N2)O MCULE-7983254108 [1,1,0,0,0,0|0,0,2]=4 524 B11R2.130 C[C@@H]1C(=O)C[C@H]2CC[C@@H]1N2 MCULE-1180198267 [1,1,0,0,0,0|0,0,0]=2 525 B11R2.130 C[C@@H]1C(=O)C[C@H]2CC[C@@H]1N2 MCULE-7774699314 [1,1,0,0,0,0|0,0,0]=2 526 B11R2.130 C[C@H]1C(=O)C[C@H]2CC[C@@H]1N2 MCULE-1420027107 [1,1,0,0,0,0|0,0,0]=2 527 B11R2.130 C[C@H]1C(=O)C[C@H]2CC[C@@H]1N2 MCULE-9603737916 [1,1,0,0,0,0|0,0,0]=2 528 B11R2.130 O=C1CC2CCC(N2)C1F MCULE-6176454352 [1,1,0,0,0,0|0,0,0]=2 529 B11R2.130 O=C1CC2CCC(N2)C1F MCULE-9920779304 [1,1,0,0,0,0|0,0,0]=2 530 B11R2.526 CC1(CC2CCC(C1)N2)O MCULE-5585894733 [1,1,0,0,0,0|0,0,2]=4 531 B11R2.526 CC1(CC2CCC(C1)N2)O MCULE-7076403925 [1,1,0,0,0,0|0,0,2]=4 532 B11R2.526 C[C@]1(C[C@@H]2CC[C@H](C1)N2)O MCULE-9621057075 [1,1,0,0,0,0|0,0,2]=4 533 B11R2.526 FC1(CC2CCC(C1)N2)F MCULE-3323575593 [1,1,0,0,0,0|1,0,1]=4 534 B11R2.526 FC1(CC2CCC(C1)N2)F MCULE-8850323224 [1,1,0,0,0,0|1,0,1]=4 535 B11R2.526 FC1(C[C@@H]2CC[C@@H](C1)N2)F MCULE-2021713686 [1,1,0,0,0,0|1,0,1]=4 536 B11R2.526 FC1(C[C@@H]2CC[C@@H](C1)N2)F MCULE-9731507406 [1,1,0,0,0,0|1,0,1]=4 537 B11R2.526 O=S1(=O)CC2CCC(C1)N2 MCULE-2115581617 [1,1,0,0,0,0|1,0,0]=3 538 B11R2.526 O=S1(=O)CC2CCC(C1)N2 MCULE-8164226547 [1,1,0,0,0,0|1,0,0]=3 539 B11R2.526 [C@@H]12CC[C@@H](N1)CC(C2)(F)F MCULE-2380883983 [1,1,0,0,0,0|1,0,1]=4 540 B11R2.526 [C@@H]12CC[C@@H](N1)CC(C2)(F)F MCULE-3879649560 [1,1,0,0,0,0|1,0,1]=4 541 B11R2.526 [C@@H]12CC[C@@H](N1)C[C@](C2)(C)O MCULE-2653971418 [1,1,0,0,0,0|0,0,2]=4 542 B13R2.1759 CN1C2CCCC1CC(=NO)C2 MCULE-9928339018 [0,1,0,0,0,1|0,0,1]=3 543 B13R2.1759 CNC1CC2CCCC(C1)N2C MCULE-4286788595 [0,1,0,0,0,1|1,0,1]=4 544 B13R2.1759 [C@@H]12CCC[C@@H](N1C)C[C@@H](C2)NC MCULE-5078290636 [0,1,0,0,0,1|1,0,1]=4 545 B13R2.3890 CN1C2CCC1CC(C2)C(=S)N MCULE-5767622212 [0,2,0,0,0,0|0,1,1]=4 546 B13R2.249 C=CCN1C2CCC1CC(=O)C2 MCULE-3848769250 [0,2,0,0,0,0|0,0,0]=2 547 B13R2.249 CCCN1C2CCC1CC(=O)C2 MCULE-1798722340 [0,2,0,0,0,0|0,0,0]=2 548 B13R2.249 CCCN1C2CCC1CC(C2)O MCULE-7058764792 [0,2,0,0,0,0|0,0,2]=4 549 B13R2.4986 C=C1CC2CCC(C1)N2C(=O)C MCULE-6001182483 [0,2,0,0,0,0|1,0,0]=3 550 B13R2.4986 CC(=O)N1C2CCC1CC(=O)C2 MCULE-5135589573 [0,2,0,0,0,0|0,0,0]=2 551 B13R2.4986 CC(=O)N1C2CCC1CC(C2)F MCULE-3247734730 [0,2,0,0,0,0|1,0,1]=4 552 B13R2.4986 CC(C)N1C2CCC1CC(=O)C2 MCULE-8460808069 [0,2,0,0,0,0|0,0,0]=2 553 B13R2.4986 CC(C)N1C2CCC1CC(C2)O MCULE-5647237601 [0,2,0,0,0,0|0,0,2]=4 554 B13R2.4986 CC(C)N1C2CCC1CC(C2)O MCULE-6585378418 [0,2,0,0,0,0|0,0,2]=4 555 B13R2.4986 CC(C)N1[C@H]2CC[C@@H]1C[C@@H](C2)O MCULE-8591954035 [0,2,0,0,0,0|0,0,2]=4 556 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-8864839000 [0,0,2,0,0,0|1,0,0]=3 557 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-9691138087 [0,0,2,0,0,0|1,0,0]=3 558 B9R0.34 CCCC(=O)OC(C)CC MCULE-2445269271 [0,0,2,0,0,0|2,0,0]=4 559 B9R0.34 CCOC(=O)CC(C)CC MCULE-4014035383 [0,0,2,0,0,0|2,0,0]=4 560 B9R0.34 CCOC(=O)CC(C)NC MCULE-1705889583 [0,0,2,0,0,0|1,0,0]=3 561 B9R0.18 CCCCC(=O)CCCC MCULE-6886826396 [0,0,2,0,0,0|1,0,0]=3 562 B9R0.18 CCCCC(=O)OCCC MCULE-9801353359 [0,0,2,0,0,0|2,0,0]=4 563 B9R0.18 CCCCP(=O)CCCC MCULE-5667541179 [0,0,2,0,0,0|2,0,0]=4 564 B9R0.18 CCCCS(=O)CCCC MCULE-7738371145 [0,0,2,0,0,0|2,0,0]=4 565 B9R0.26 CCC(=O)CC(OC)OC MCULE-9361143270 [0,0,2,0,0,0|2,0,0]=4 566 B9R0.39 CCC(CC(=O)O)C(C)C MCULE-3121416106 [0,0,2,0,0,0|2,0,0]=4 567 B9R0.39 CC[C@H](CC(=O)O)C(C)C MCULE-7554516678 [0,0,2,0,0,0|2,0,0]=4 568 B9R0.48 C=C(C)CCC(C)CCC MCULE-7509184096 [0,0,2,0,0,0|2,0,0]=4 569 B9R0.48 CCCC(=O)CCC(=O)C MCULE-2562578971 [0,0,2,0,0,0|2,0,0]=4 570 B9R0.48 CCCC(C)CCC(=O)C MCULE-1446034135 [0,0,2,0,0,0|1,0,0]=3 571 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [0,0,2,0,0,0|2,0,0]=4 572 B9R0.48 CCCC(C)COC(=O)C MCULE-3322580373 [0,0,2,0,0,0|2,0,0]=4 573 B9R0.48 CCCN(C)CCC(=O)O MCULE-4436694860 [0,0,2,0,0,0|1,0,0]=3 574 B9R0.48 CCCN(C)CCC(=O)O MCULE-5636730093 [0,0,2,0,0,0|1,0,0]=3 575 B9R0.48 CN(CCO)CCC(=O)O MCULE-1755715725 [0,0,2,0,0,0|2,0,0]=4 576 B9R0.2 C=C(C)CCCCCCC MCULE-6074571960 [0,0,2,0,0,0|2,0,0]=4 577 B9R0.2 C=CCCCCCC(=O)C MCULE-7133840219 [0,0,2,0,0,0|1,0,1]=4 578 B9R0.2 CC(=O)CCCCCCN MCULE-5842243037 [0,0,2,0,0,0|2,0,0]=4 579 B9R0.2 CC(=O)CCCCCCN MCULE-6017408205 [0,0,2,0,0,0|2,0,0]=4 580 B9R0.2 CCCCCCCC(=O)C MCULE-9635928766 [0,0,2,0,0,0|1,0,0]=3 581 B9R0.2 CCCCCCCC(=O)Cl MCULE-9979489292 [0,0,2,0,0,0|2,0,0]=4 582 B9R0.2 CCCCCCCC(=O)N MCULE-8774193381 [0,0,2,0,0,0|2,0,0]=4 583 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [0,0,2,0,0,0|2,0,0]=4 584 B9R0.2 CCCCCCCC(=O)[O-] MCULE-3608650495 [0,0,2,0,0,0|2,0,0]=4 585 B9R0.2 CCCCCCCC(=O)[O-] MCULE-8227046407 [0,0,2,0,0,0|2,0,0]=4 586 B9R0.2 CCCCCCOC(=O)C MCULE-7353613022 [0,0,2,0,0,0|2,0,0]=4 587 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [0,0,2,0,0,0|1,0,0]=3 588 B9R0.2 CNCCOCCC(=O)O MCULE-6581967922 [0,0,2,0,0,0|2,0,0]=4 589 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [0,0,2,0,0,0|2,0,0]=4 590 B9R0.2 COCCCCOC(=O)C MCULE-4352807618 [0,0,2,0,0,0|2,0,0]=4 591 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [0,0,2,0,0,0|2,0,0]=4 592 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [0,0,2,0,0,0|1,0,1]=4 593 B9R0.14 CCCC(CC)CC(=O)O MCULE-7716353443 [0,0,2,0,0,0|2,0,0]=4 594 B9R0.14 CCCC(CC)OC(=O)C MCULE-8250494331 [0,0,2,0,0,0|2,0,0]=4 595 B9R0.40 C=CCC(CC)CCCC MCULE-5009662741 [0,0,2,0,0,0|2,0,0]=4 596 B9R0.40 CCCCC(CC)CC=O MCULE-4596828512 [0,0,2,0,0,0|1,0,0]=3 597 B11R2.36 NC1CCN2CCCC2C1 MCULE-6962802955 [0,0,1,1,0,0|1,0,1]=4 598 B11R2.36 O=C1CCC2CNCC2C1 MCULE-9246232169 [0,0,1,1,0,0|2,0,0]=4 599 B11R2.36 O=C1CCN2CCCC2C1 MCULE-1232534882 [0,0,1,1,0,0|0,0,0]=2 600 B11R2.36 OC1CCN2CCCC2C1 MCULE-6947197443 [0,0,1,1,0,0|0,0,2]=4 601 B11R2.47 O=C1CC2CCC1CC2=O MCULE-3954884710 [0,0,1,1,0,0|2,0,0]=4 602 B11R2.814 O=C(O)C1CC2C1CCC2 MCULE-6814629609 [0,0,1,1,0,0|2,0,0]=4 603 B11R2.932 O=C(O)CC1CCC2C1C2 MCULE-5939746375 [0,0,1,1,0,0|2,0,0]=4 604 B11R2.199 CN1C2CCNCC1CC2 MCULE-2984561797 [0,0,1,1,0,0|1,0,1]=4 605 B11R2.199 CN1[C@H]2CC[C@@H]1CCNC2 MCULE-5416187997 [0,0,1,1,0,0|1,0,1]=4 606 B11R2.199 CN1[C@H]2CC[C@@H]1CCNC2 MCULE-5792202895 [0,0,1,1,0,0|1,0,1]=4 607 B11R2.199 CN1[C@H]2CC[C@@H]1CCNC2 MCULE-7037741615 [0,0,1,1,0,0|1,0,1]=4 608 B11R2.199 CN1[C@H]2CC[C@@H]1CCNC2 MCULE-9086956008 [0,0,1,1,0,0|1,0,1]=4 609 B11R2.48 O=C1OC2CCCC1CC2 MCULE-9400840522 [0,0,1,1,0,0|2,0,0]=4 610 B11R2.433 CN1C[C@@H]2CC[C@H](C1)NC2 MCULE-7289205020 [0,0,1,1,0,0|2,0,0]=4 611 B11R2.433 CN1C[C@@H]2CC[C@H](C1)NC2 MCULE-9699212131 [0,0,1,1,0,0|2,0,0]=4 612 B11R2.433 O=C1CC2CCC(N1)CN2 MCULE-5505959202 [0,0,1,1,0,0|1,0,0]=3 613 B11R2.433 O=C1CC2CCC(N1)CN2 MCULE-5626978495 [0,0,1,1,0,0|1,0,0]=3 614 B11R2.433 O=C1CC2CCN(C1)CC2 MCULE-7595784075 [0,0,1,1,0,0|2,0,0]=4 615 B11R2.1636 O=C1CCCCC2(N1)CC2 MCULE-1833381826 [0,0,1,1,0,0|2,0,0]=4 616 B13R3.13466 CN1C2CC(CC1C3C2O3)O MCULE-2674605772 [0,0,0,1,0,1|0,0,2]=4 617 B13R3.13466 [C@@H]12C[C@@H](C[C@@H](N1C)[C@@H]3[C@H]2O3)O MCULE-4666733761 [0,0,0,1,0,1|0,0,2]=4 618 B13R3.13466 [C@@H]12C[C@@H](C[C@@H](N1C)[C@@H]3[C@H]2O3)O MCULE-8403025161 [0,0,0,1,0,1|0,0,2]=4 619 B13R3.11579 CN1C2CC3CC1C(O3)C2O MCULE-9952665815 [0,1,0,1,0,0|0,0,2]=4 620 B13R3.11579 CN1[C@H]2CC3C[C@H]1[C@H](O3)[C@H]2O MCULE-1673246995 [0,1,0,1,0,0|0,0,2]=4 621 B13R3.11579 CN1[C@H]2C[C@H]3C[C@@H]1[C@H]([C@@H]2O3)O MCULE-4627639115 [0,1,0,1,0,0|0,0,2]=4 622 B9R1.37 CC1C(=O)CC(=O)N1C MCULE-5385796348 [0,0,1,0,1,0|1,0,1]=4 623 B9R1.37 CC1C(=O)CC(=O)N1C MCULE-6531132040 [0,0,1,0,1,0|1,0,1]=4 624 B9R1.27 CCC1C(=O)CCC1=O MCULE-9997239659 [0,0,1,0,1,0|2,0,0]=4 625 B9R1.27 CCC1C(=O)NCC1C MCULE-6984020668 [0,0,1,0,1,0|2,0,0]=4 626 B9R1.41 C1(CCCN1C)C(=O)O MCULE-7988130618 [0,0,1,0,1,0|1,0,0]=3 627 B9R1.41 CC(=O)C1=C(CCC1)C MCULE-9433038766 [0,0,1,0,1,0|1,0,1]=4 628 B9R1.41 CC(=O)C1CCCC1=O MCULE-8152440536 [0,0,1,0,1,0|2,0,0]=4 629 B9R1.41 CC(O)C1CCCN1C MCULE-1709841217 [0,0,1,0,1,0|0,0,2]=4 630 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [0,0,1,0,1,0|2,0,0]=4 631 B9R1.41 CN1CCCC1C(=O)N MCULE-1474656837 [0,0,1,0,1,0|1,0,0]=3 632 B9R1.41 CN1CCCC1C(=O)O MCULE-4884381644 [0,0,1,0,1,0|1,0,0]=3 633 B9R1.41 CN1CCCC1C(=O)O MCULE-6241162207 [0,0,1,0,1,0|1,0,0]=3 634 B9R1.41 CN1CCCC1C(=O)O MCULE-7232060205 [0,0,1,0,1,0|1,0,0]=3 635 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1129223179 [0,0,1,0,1,0|1,0,0]=3 636 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1418743058 [0,0,1,0,1,0|1,0,0]=3 637 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-3947573313 [0,0,1,0,1,0|1,0,0]=3 638 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-4168419254 [0,0,1,0,1,0|1,0,0]=3 639 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-6504349835 [0,0,1,0,1,0|1,0,0]=3 640 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-9943329201 [0,0,1,0,1,0|1,0,0]=3 641 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-1155656545 [0,0,1,0,1,0|1,0,0]=3 642 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-5987152150 [0,0,1,0,1,0|1,0,0]=3 643 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-1661156416 [0,0,1,0,1,0|1,0,0]=3 644 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-2535799805 [0,0,1,0,1,0|1,0,0]=3 645 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-3283459585 [0,0,1,0,1,0|1,0,0]=3 646 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-5506159927 [0,0,1,0,1,0|1,0,0]=3 647 B9R1.41 CN1CSCC1C(=O)O MCULE-6053778396 [0,0,1,0,1,0|2,0,0]=4 648 B9R1.41 CN1CSCC1C(=O)O MCULE-8768199445 [0,0,1,0,1,0|2,0,0]=4 649 B9R1.41 CN1CSC[C@@H]1C(=O)O MCULE-9390031358 [0,0,1,0,1,0|2,0,0]=4 650 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-2295281512 [0,0,1,0,1,0|2,0,0]=4 651 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-3344236668 [0,0,1,0,1,0|2,0,0]=4 652 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-6116857567 [0,0,1,0,1,0|2,0,0]=4 653 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-7315008971 [0,0,1,0,1,0|2,0,0]=4 654 B9R1.41 C[C@H](O)[C@@H]1CCCN1C MCULE-3481136719 [0,0,1,0,1,0|0,0,2]=4 655 B9R1.41 C[C@H](O)[C@@H]1CCCN1C MCULE-8355283874 [0,0,1,0,1,0|0,0,2]=4 656 B9R1.41 NN1CCCC1C(=O)O MCULE-1374834183 [0,0,1,0,1,0|2,0,0]=4 657 B9R2.53 CN1C2CNCC1C2 MCULE-9241612255 [1,0,0,0,1,0|1,0,0]=3 658 B9R2.53 CN1C2CNCC1C2 MCULE-9444287799 [1,0,0,0,1,0|1,0,0]=3 659 B9R2.8 CN1CC2CC(C1)N2 MCULE-3820376450 [1,0,0,0,1,0|2,0,0]=4 660 B9R2.8 CN1CC2CC(C1)N2 MCULE-6477453880 [1,0,0,0,1,0|2,0,0]=4 661 B9R2.8 CN1CC2CC(C1)N2 MCULE-8779315456 [1,0,0,0,1,0|2,0,0]=4 662 B9R2.8 O=C1CC2CC(C1)C2 MCULE-9643976907 [1,0,0,0,1,0|1,0,0]=3 663 B9R2.8 O=C1CC2CC(C1)N2 MCULE-3666889878 [1,0,0,0,1,0|0,0,0]=2 664 B9R2.8 O[C@@H]1CC2C[C@H](C1)N2 MCULE-9059130503 [1,0,0,0,1,0|0,0,2]=4 665 B9R2.8 O[C@H]1CC2C[C@H](C1)N2 MCULE-3203921816 [1,0,0,0,1,0|0,0,2]=4 666 B9R2.8 O[C@H]1CC2C[C@H](C1)N2 MCULE-9769990159 [1,0,0,0,1,0|0,0,2]=4 667 B9R2.39 O=C1CC2CC1CN2 MCULE-1513637451 [1,0,0,0,1,0|2,0,0]=4 668 B9R2.39 O=C1CC2CC1CN2 MCULE-8245110165 [1,0,0,0,1,0|2,0,0]=4 669 B9R2.39 O=C1CC2CCC1C2 MCULE-2467634489 [1,0,0,0,1,0|1,0,0]=3 670 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [1,0,0,0,1,0|0,0,0]=2 671 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [1,0,0,0,1,0|0,0,0]=2 672 B9R2.39 O=C1CC2CCC1O2 MCULE-3122768457 [1,0,0,0,1,0|1,0,0]=3 673 B9R2.39 O=C1CC2CNC1C2 MCULE-1302527504 [1,0,0,0,1,0|2,0,0]=4 674 B9R2.39 O=C1CC2CNC1C2 MCULE-3367580397 [1,0,0,0,1,0|2,0,0]=4 675 B9R2.39 O=C1CN2CCC1C2 MCULE-2930167084 [1,0,0,0,1,0|2,0,0]=4 676 B9R2.39 O=C1CN2CCC1C2 MCULE-6962814008 [1,0,0,0,1,0|2,0,0]=4 677 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 MCULE-9992741520 [1,0,0,0,1,0|1,0,0]=3 678 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 MCULE-2228698965 [1,0,0,0,1,0|1,0,0]=3 679 B9R2.39 O=C1NC2CCC1C2 MCULE-2050587567 [1,0,0,0,1,0|2,0,0]=4 680 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 MCULE-2601085316 [1,0,0,0,1,0|2,0,0]=4 681 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 MCULE-6863863448 [1,0,0,0,1,0|2,0,0]=4 682 B9R2.39 OC1CC2CCC1N2 MCULE-1605436075 [1,0,0,0,1,0|0,0,2]=4 683 B9R2.39 OC1CC2CCC1N2 MCULE-1761281414 [1,0,0,0,1,0|0,0,2]=4 684 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 MCULE-3144398733 [1,0,0,0,1,0|0,0,2]=4 685 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 MCULE-7894832313 [1,0,0,0,1,0|0,0,2]=4 686 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 MCULE-1633391346 [1,0,0,0,1,0|0,0,2]=4 687 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 MCULE-9461548760 [1,0,0,0,1,0|0,0,2]=4 688 B9R2.39 [C@@H]12CC[C@@H](N1)[C@@H](C2)O MCULE-3428651950 [1,0,0,0,1,0|0,0,2]=4 689 B9R2.39 [C@@H]12CC[C@@H](N1)[C@@H](C2)O MCULE-5974580174 [1,0,0,0,1,0|0,0,2]=4 690 B9R2.39 [C@@H]12CC[C@@H](N1)[C@@H](C2)O MCULE-6305413134 [1,0,0,0,1,0|0,0,2]=4 691 B9R2.39 [C@@H]12CC[C@@H](N1)[C@@H](C2)O MCULE-7062654568 [1,0,0,0,1,0|0,0,2]=4 692 B9R2.39 [C@@H]12CC[C@@H](N1)[C@H](C2)O MCULE-4291985781 [1,0,0,0,1,0|0,0,2]=4 693 B9R2.39 [C@@H]12CC[C@@H](N1)[C@H](C2)O MCULE-8663774893 [1,0,0,0,1,0|0,0,2]=4 694 B9R2.39 [C@H]12CCN(C1)CC2=O MCULE-4642920839 [1,0,0,0,1,0|2,0,0]=4 695 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 MCULE-3838940137 [1,0,0,0,1,0|2,0,0]=4 696 B9R2.39 [C@H]12CC[C@H](C1)CC2=O MCULE-1488894938 [1,0,0,0,1,0|1,0,0]=3 697 B11R1.86 CC(=O)CC1CCCCC1=O MCULE-3575915774 [0,0,1,0,0,1|2,0,0]=4 698 B11R1.86 CC(=O)CC1CCCCN1C MCULE-7888596089 [0,0,1,0,0,1|0,0,0]=2 699 B11R1.86 CC(=O)CN1CCCCC1C MCULE-6918556290 [0,0,1,0,0,1|2,0,0]=4 700 B11R1.86 CC(=O)C[C@H]1CCCCN1C MCULE-2452733660 [0,0,1,0,0,1|0,0,0]=2 701 B11R1.86 CC(=O)OC1CCCCC1C MCULE-6335382849 [0,0,1,0,0,1|2,0,0]=4 702 B11R1.86 CC(N)CC1CCCCN1C MCULE-6158340301 [0,0,1,0,0,1|1,0,1]=4 703 B11R1.86 CC(O)CC1CCCCN1C MCULE-3186311886 [0,0,1,0,0,1|0,0,2]=4 704 B11R1.86 CC1CCCCC1CC(=O)N MCULE-3919731608 [0,0,1,0,0,1|2,0,0]=4 705 B11R1.86 CC1CCCCC1CC(=O)O MCULE-8512937446 [0,0,1,0,0,1|2,0,0]=4 706 B11R1.86 CC1CCNCC1CC(=O)O MCULE-2573262395 [0,0,1,0,0,1|2,0,0]=4 707 B11R1.86 CC1CCNCC1CC(=O)O MCULE-6926994477 [0,0,1,0,0,1|2,0,0]=4 708 B11R1.86 CC1CNCCC1CC(=O)O MCULE-7212738787 [0,0,1,0,0,1|2,0,0]=4 709 B11R1.86 CN1CCCCC1CC(=O)O MCULE-3316980419 [0,0,1,0,0,1|1,0,0]=3 710 B11R1.86 CN1CCCCC1CC(=O)O MCULE-8860551772 [0,0,1,0,0,1|1,0,0]=3 711 B11R1.86 C[C@H](O)C[C@@H]1CCCCN1C MCULE-1823823531 [0,0,1,0,0,1|0,0,2]=4 712 B11R1.86 C[C@H](O)C[C@@H]1CCCCN1C MCULE-4140894566 [0,0,1,0,0,1|0,0,2]=4 713 B11R1.86 C[C@H](O)C[C@H]1CCCCN1C MCULE-2144718958 [0,0,1,0,0,1|0,0,2]=4 714 B11R1.86 C[C@H](O)C[C@H]1CCCCN1C MCULE-4299162576 [0,0,1,0,0,1|0,0,2]=4 715 B11R1.90 CC(=O)OCC1CCCC1=O MCULE-4927538926 [0,0,1,0,0,1|2,0,0]=4 716 B11R1.90 CC(C)NCC1CCCN1C MCULE-7220363786 [0,0,1,0,0,1|1,0,1]=4 717 B11R1.90 CC(C)NC[C@@H]1CCCN1C MCULE-2816895259 [0,0,1,0,0,1|1,0,1]=4 718 B11R1.90 CN1CCCC1C=CC(=O)O MCULE-1495822214 [0,0,1,0,0,1|1,0,1]=4 719 B11R1.90 CN1CCCC1C=CC(=O)O MCULE-8579112538 [0,0,1,0,0,1|1,0,1]=4 720 B11R1.90 CN1CCCC1CCC(=O)O MCULE-2208326711 [0,0,1,0,0,1|1,0,0]=3 721 B11R1.90 CN1CCCC1CCC(=O)O MCULE-5781640008 [0,0,1,0,0,1|1,0,0]=3 722 B11R1.90 CN1CCC[C@@H]1/C=C/C(=O)O MCULE-1511363062 [0,0,1,0,0,1|1,0,1]=4 723 B11R1.90 CN1CCC[C@@H]1/C=C/C(=O)O MCULE-9589594414 [0,0,1,0,0,1|1,0,1]=4 724 B11R1.90 CN1CCC[C@@H]1C=CC(=O)O MCULE-8234680020 [0,0,1,0,0,1|1,0,1]=4 725 B11R1.90 CN1CCC[C@@H]1C=CC(=O)O MCULE-9849714798 [0,0,1,0,0,1|1,0,1]=4 726 B11R1.157 CC(=O)CC1CCCC(=O)N1 MCULE-4485387072 [0,0,1,0,0,1|2,0,0]=4 727 B11R1.157 CC(=O)CN1CCCC(C1)C MCULE-9981826384 [0,0,1,0,0,1|2,0,0]=4 728 B11R1.157 CC1CCCC(C1)CC(=O)O MCULE-8177394227 [0,0,1,0,0,1|2,0,0]=4 729 B11R1.157 CN1CCCC(C1)CC(=O)O MCULE-3307095078 [0,0,1,0,0,1|1,0,0]=3 730 B11R1.157 CN1CCCC(C1)CC(=O)O MCULE-6317011723 [0,0,1,0,0,1|1,0,0]=3 731 B11R2.565 CN1C2CCCC1CNC2 MCULE-1363054075 [1,0,0,0,0,1|0,0,1]=3 732 B11R2.565 CN1C2CCCC1CNC2 MCULE-5584043446 [1,0,0,0,0,1|0,0,1]=3 733 B11R2.565 CN1C2CNCC1COC2 MCULE-3032113656 [1,0,0,0,0,1|1,0,0]=3 734 B11R2.565 CN1C2CNCC1COC2 MCULE-8703540433 [1,0,0,0,0,1|1,0,0]=3 735 B11R2.678 CN1CC2CCCC(C1)N2 MCULE-5367143129 [1,0,0,0,0,1|2,0,0]=4 736 B11R2.678 CN1CC2CCCC(C1)N2 MCULE-8639186056 [1,0,0,0,0,1|2,0,0]=4 737 B11R2.678 FC1CC2COCC(C1)N2 MCULE-9099259502 [1,0,0,0,0,1|1,0,1]=4 738 B11R2.678 FC1CC2COCC(C1)N2 MCULE-9543710396 [1,0,0,0,0,1|1,0,1]=4 739 B11R2.678 O=C1CC2CCCC(C1)C2 MCULE-7773766432 [1,0,0,0,0,1|1,0,0]=3 740 B11R2.678 O=C1CC2CCCC(C1)N2 MCULE-8791479520 [1,0,0,0,0,1|0,0,0]=2 741 B11R2.678 O=C1CC2CCCC(C1)N2 MCULE-9249374157 [1,0,0,0,0,1|0,0,0]=2 742 B11R2.678 O=C1CC2CCCC(C1)S2 MCULE-3712568052 [1,0,0,0,0,1|1,0,0]=3 743 B11R2.678 O=C1CC2CCCN(C1)C2 MCULE-2221110725 [1,0,0,0,0,1|2,0,0]=4 744 B11R2.678 O=C1CC2COCC(C1)N2 MCULE-1738319557 [1,0,0,0,0,1|0,0,0]=2 745 B11R2.678 O=C1CC2COCC(C1)N2 MCULE-2835055490 [1,0,0,0,0,1|0,0,0]=2 746 B11R2.678 O=C1CC2CSCC(C1)N2 MCULE-3264688264 [1,0,0,0,0,1|0,0,0]=2 747 B11R2.678 O=C1CC2CSCC(C1)N2 MCULE-4967080128 [1,0,0,0,0,1|0,0,0]=2 748 B11R2.678 O=C1C[C@H]2CSC[C@@H](C1)N2 MCULE-7015091870 [1,0,0,0,0,1|0,0,0]=2 749 B11R2.678 O=C1C[C@H]2CSC[C@@H](C1)N2 MCULE-8128064550 [1,0,0,0,0,1|0,0,0]=2 750 B11R2.678 OC1CC2CCCC(C1)N2 MCULE-3981184276 [1,0,0,0,0,1|0,0,2]=4 751 B11R2.678 OC1CC2CCCC(C1)N2 MCULE-9018688358 [1,0,0,0,0,1|0,0,2]=4 752 B11R2.678 OC1CC2COCC(C1)N2 MCULE-2174623890 [1,0,0,0,0,1|0,0,2]=4 753 B11R2.678 OC1CC2COCC(C1)N2 MCULE-9419069213 [1,0,0,0,0,1|0,0,2]=4 754 B11R2.678 O[C@@H]1C[C@H]2COC[C@@H](C1)N2 MCULE-5029871560 [1,0,0,0,0,1|0,0,2]=4 755 B11R2.678 O[C@@H]1C[C@H]2COC[C@@H](C1)N2 MCULE-9997644380 [1,0,0,0,0,1|0,0,2]=4 756 B11R2.678 [C@@H]1(C[C@@H]2CCC[C@H](C1)N2)O MCULE-5250655799 [1,0,0,0,0,1|0,0,2]=4 757 B11R2.678 [C@@H]1(C[C@@H]2CCC[C@H](C1)N2)O MCULE-8960138742 [1,0,0,0,0,1|0,0,2]=4 758 B11R2.678 [C@@H]1(C[C@H]2COC[C@@H](C1)N2)O MCULE-4842613182 [1,0,0,0,0,1|0,0,2]=4 759 B11R2.678 [C@@H]1(C[C@H]2COC[C@@H](C1)N2)O MCULE-5609186741 [1,0,0,0,0,1|0,0,2]=4 760 B11R2.678 [C@@H]12CCC[C@@H](N1)CC(=O)C2 MCULE-2811113808 [1,0,0,0,0,1|0,0,0]=2 761 B11R2.678 [C@@H]12CCC[C@@H](N1)CC(=O)C2 MCULE-3196036946 [1,0,0,0,0,1|0,0,0]=2 762 B11R2.678 [C@@H]12CCC[C@@H](N1)C[C@@H](C2)O MCULE-3910298913 [1,0,0,0,0,1|0,0,2]=4 763 B11R2.678 [C@@H]12CCC[C@@H](N1)C[C@@H](C2)O MCULE-4090142018 [1,0,0,0,0,1|0,0,2]=4 764 B13R2.10201 CN1C2CCCC1CC(=O)NC2 MCULE-1374837344 [0,0,0,0,0,2|0,0,0]=2