0 B10R0.19 C=CCC[C@H](N)C(=O)OCC AT23898 [1,0,0,0,0,0|1,0,2]=4 1 B10R0.19 C\C=C\C[C@H](C)C(=O)OCC W16076 [1,0,0,0,0,0|0,0,2]=3 2 B10R0.33 CCOC(=O)[C@H](C=O)OCC AT14239 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.16 CCOC(=O)C1CCC(N)CC1 AB9197 [0,0,0,1,0,0|1,0,0]=2 4 B12R1.16 CCOC(=O)N1CCN(C)CC1 AC8202 [0,0,0,1,0,0|2,0,0]=3 5 B12R1.16 CCOC(=O)[C@H]1CCC(=O)NC1 AT22048 [0,0,0,1,0,0|2,0,1]=4 6 B12R1.308 CCOC(=O)C1CCNCC1C P16206 [0,0,0,1,0,0|1,0,0]=2 7 B12R1.308 CCOC(=O)C1NCCCC1O AC5344 [0,0,0,1,0,0|2,0,0]=3 8 B12R1.308 CCOC(=O)[C@@H]1CCOC[C@@H]1N 56728 [0,0,0,1,0,0|2,0,0]=3 9 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C F12981 [0,0,0,1,0,0|1,0,0]=2 10 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C F15959 [0,0,0,1,0,0|1,0,0]=2 11 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C P16051 [0,0,0,1,0,0|1,0,0]=2 12 B12R1.308 CCOC(=O)[C@H]1NCCO[C@@H]1C 58496 [0,0,0,1,0,0|2,0,0]=3 13 B12R1.308 CCOC(=O)[C@H]1NCCO[C@@H]1C 58499 [0,0,0,1,0,0|2,0,0]=3 14 B12R1.312 CCOC(=O)[C@H]1CC[C@@H](C#N)N1 P20199 [0,0,0,1,0,0|2,0,1]=4 15 B12R1.1579 CCOC(=O)C1CCC(C)C1=O W17108 [0,0,0,1,0,0|1,0,1]=3 16 B12R1.3395 CCOC(=O)C1(C#N)CCCC1 F14044 [0,0,0,1,0,0|1,0,1]=3 17 B12R1.3395 CCOC(=O)C1(CO)CCCC1 F53836 [0,0,0,1,0,0|1,0,0]=2 18 B12R1.3395 CCOC(=O)[C@@]1(CO)CCNC1 C91467 [0,0,0,1,0,0|2,0,0]=3 19 B9R0.18 CCCCC(C)CCCC T71863 [2,0,0,0,0,0|1,0,1]=4 20 B9R0.5 CCOC(=O)CCCNC AB10379 [2,0,0,0,0,0|1,0,0]=3 21 B9R0.5 CCOC(=O)CNCCN FD21627 [2,0,0,0,0,0|2,0,0]=4 22 B9R0.37 CCOC(=O)[C@@H](CC)CN 97590 [2,0,0,0,0,0|1,0,0]=3 23 B9R0.13 CCCC[C@@H](CO)C(=O)O 62404 [2,0,0,0,0,0|1,0,0]=3 24 B9R0.13 CCCC[C@H](NC)C(=O)O AT16731 [2,0,0,0,0,0|1,0,0]=3 25 B9R0.13 CCCC[C@H](NC)C(=O)O C15089 [2,0,0,0,0,0|1,0,0]=3 26 B9R0.13 CCCC[C@H](OC)C(=O)O AC6557 [2,0,0,0,0,0|1,0,0]=3 27 B11R0.247 CCOC(=O)C(C)(C)CCCCl D87987 [1,1,0,0,0,0|1,0,0]=3 28 B13R0.710 CCOC[C@H](C(=O)OCC)C(C)(C)C 56189 [0,2,0,0,0,0|1,0,0]=3 29 B11R1.15 C=C1CC[C@H](C(=O)OCC)C1 89906 [1,0,0,1,0,0|0,0,2]=4 30 B11R1.15 CCOC(=O)C1CCC(F)C1 AC4965 [1,0,0,1,0,0|1,0,0]=3 31 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 C16215 [1,0,0,1,0,0|1,0,0]=3 32 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 Y10153 [1,0,0,1,0,0|1,0,0]=3 33 B11R1.16 CCCC(=O)C1CCNCC1 F16039 [1,0,0,1,0,0|2,0,0]=4 34 B11R1.16 CCOC(=O)[C@@H]1CNCCS1 H11960 [1,0,0,1,0,0|2,0,0]=4 35 B11R1.16 CCOC(=O)[C@@H]1COCCN1 77675 [1,0,0,1,0,0|2,0,0]=4 36 B11R1.16 CCOC(=O)[C@H]1CCCNC1 56329 [1,0,0,1,0,0|1,0,0]=3 37 B11R1.351 CCOC(=O)C(=O)CC1CC1 P11469 [1,0,0,1,0,0|1,0,1]=4 38 B11R1.351 CCOC(=O)[C@@H](N)CC1CC1 F53735 [1,0,0,1,0,0|1,0,0]=3 39 B11R1.351 CCOC(=O)\C(C)=C\C1CC1 F18298 [1,0,0,1,0,0|0,0,2]=4 40 B11R1.819 CCOC(=O)C1(N)CCCC1 20671 [1,0,0,1,0,0|1,0,0]=3 41 B11R1.819 CCOC(=O)[C@]1(C)CCCO1 AC4486 [1,0,0,1,0,0|1,0,0]=3 42 B11R1.822 CCOC(=O)C1CC(C=O)C1 C91050 [1,0,0,1,0,0|1,0,1]=4 43 B11R1.822 CCOC(=O)C1CC(CO)C1 C91896 [1,0,0,1,0,0|1,0,0]=3 44 B11R1.199 CCOC(=O)C1CSCC1N 69819 [1,0,0,1,0,0|2,0,0]=4 45 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N 98153 [1,0,0,1,0,0|1,0,0]=3 46 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC7745 [1,0,0,1,0,0|1,0,0]=3 47 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C 72681 [1,0,0,1,0,0|1,0,0]=3 48 B11R1.831 CCOC(=O)C1(CBr)CCC1 F31328 [1,0,0,1,0,0|1,0,0]=3 49 B11R1.838 CCOC(=O)C1(CC#N)CC1 AT26295 [1,0,0,1,0,0|1,0,1]=4 50 B11R1.838 CCOC(=O)C1(OCC)CC1 92151 [1,0,0,1,0,0|1,0,0]=3 51 B11R1.22 C=C1CCC(C(=O)OC)CC1 AT23745 [1,0,0,1,0,0|0,0,2]=4 52 B11R1.22 CNC(=O)[C@H]1CC[C@H](N)CC1 D96644 [1,0,0,1,0,0|2,0,0]=4 53 B11R1.22 COC(=O)C1CCC(O)CN1 F30865 [1,0,0,1,0,0|2,0,0]=4 54 B11R1.22 COC(=O)N1CCC(N)CC1 AT23027 [1,0,0,1,0,0|2,0,0]=4 55 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 70015 [1,0,0,1,0,0|1,0,0]=3 56 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P14642 [1,0,0,1,0,0|1,0,0]=3 57 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P19193 [1,0,0,1,0,0|1,0,0]=3 58 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 W19558 [1,0,0,1,0,0|1,0,0]=3 59 B11R1.44 COC(=O)C1CCC(C=O)C1 AT13554 [1,0,0,1,0,0|1,0,1]=4 60 B11R1.44 COC(=O)C1CCC(CO)C1 AT13550 [1,0,0,1,0,0|1,0,0]=3 61 B11R1.44 COC(=O)[C@@H]1C[C@@H](OC)CN1 56604 [1,0,0,1,0,0|2,0,0]=4 62 B11R1.44 COC(=O)[C@@H]1C[C@@H](OC)CN1 56611 [1,0,0,1,0,0|2,0,0]=4 63 B11R1.44 COC(=O)[C@@H]1C[C@H](OC)CN1 56607 [1,0,0,1,0,0|2,0,0]=4 64 B11R1.44 COC(=O)[C@H]1CC[C@@H](CBr)C1 D95216 [1,0,0,1,0,0|1,0,0]=3 65 B11R1.115 COC(=O)[C@@H]1CCN1CCF P15233 [1,0,0,1,0,0|2,0,0]=4 66 B11R1.222 COC(=O)C1CCCCC1N F52864 [1,0,0,1,0,0|1,0,0]=3 67 B11R1.222 COC(=O)C1CCCCC1O D76886 [1,0,0,1,0,0|1,0,0]=3 68 B11R1.222 COC(=O)C1CCCNC1C F30030 [1,0,0,1,0,0|1,0,0]=3 69 B11R1.222 COC(=O)C1COCCC1N D87017 [1,0,0,1,0,0|2,0,0]=4 70 B11R1.222 COC(=O)C1NCCCC1O AC4816 [1,0,0,1,0,0|2,0,0]=4 71 B11R1.222 COC(=O)N1CCNC[C@@H]1C AT22989 [1,0,0,1,0,0|2,0,0]=4 72 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N 20978 [1,0,0,1,0,0|1,0,0]=3 73 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C AC4979 [1,0,0,1,0,0|1,0,0]=3 74 B11R1.852 COC(=O)[C@@H]1CCCCCN1 I11326 [1,0,0,1,0,0|1,0,0]=3 75 B11R1.852 COC(=O)[C@@H]1CNCCCO1 AC5424 [1,0,0,1,0,0|2,0,0]=4 76 B11R1.852 COC(=O)[C@H]1CCCNCC1 P11164 [1,0,0,1,0,0|1,0,0]=3 77 B11R1.1472 COC(=O)[C@]1(SC)CCNC1 C91559 [1,0,0,1,0,0|2,0,0]=4 78 B11R1.1472 COC(=O)[C@]1(SC)CCNC1 C93009 [1,0,0,1,0,0|2,0,0]=4 79 B11R1.1472 COC(=O)[C@]1(SC)CCNC1 C93011 [1,0,0,1,0,0|2,0,0]=4 80 B13R1.19 C=C1CCC(CC(=O)OCC)CC1 AT14584 [0,0,0,1,0,1|0,0,2]=4 81 B13R1.19 CCOC(=O)CC1CCC(N)CC1 AT26919 [0,0,0,1,0,1|1,0,0]=3 82 B13R1.4565 CCOC(=O)CC1(CC)OCCO1 AB9266 [0,0,0,1,0,1|2,0,0]=4 83 B13R1.1511 CCOC(=O)C1CC[C@H](C)CC1=O 90780 [0,1,0,1,0,0|0,0,1]=3 84 B13R1.1511 CCOC(=O)C1CC[C@H](C)CC1=O 90785 [0,1,0,1,0,0|0,0,1]=3 85 B13R1.1511 CCOC(=O)[C@H]1CC[C@@H](N)C[C@H]1C D79004 [0,1,0,1,0,0|0,0,0]=2 86 B13R1.1462 CCOC(=O)[C@H]1CCCCC(=O)C1 S11631 [0,1,0,1,0,0|0,0,1]=3 87 B13R1.1463 CCOC(=O)N1CCCC(=O)CC1 F13246 [0,1,0,1,0,0|1,0,1]=4 88 B13R1.1512 CCOC(=O)C1CCC(Cl)(Cl)CC1 76562 [0,1,0,1,0,0|1,0,0]=3 89 B13R1.1512 CCOC(=O)[C@@H]1CNC(C)(C)CO1 W16016 [0,1,0,1,0,0|2,0,0]=4 90 B13R1.1512 CCOC(=O)[C@H]1CC[C@](C)(O)CC1 P15008 [0,1,0,1,0,0|0,0,0]=2 91 B13R1.1512 CCOC(=O)[C@H]1CC[C@](C)(O)CC1 P15736 [0,1,0,1,0,0|0,0,0]=2 92 B13R1.1565 CCOC(=O)C1(CCC(=O)O)CC1 58285 [0,1,0,1,0,0|1,0,1]=4 93 B13R1.132 CC(C)OC(=O)N1CCC(N)CC1 AT23030 [0,1,0,1,0,0|2,0,0]=4 94 B13R1.2620 CON(C)C(=O)C1CCCCCC1 C78098 [0,1,0,1,0,0|2,0,0]=4 95 B13R1.4458 CCOC(=O)C1(C(=O)O)CCCC1 C78293 [0,1,0,1,0,0|1,0,1]=4 96 B13R1.12 CCOC(=O)C1CCCC(Br)C1=O D77362 [0,1,0,1,0,0|1,0,1]=4 97 B13R1.4472 CCOC(=O)C1(CO)CCCCC1 F30209 [0,1,0,1,0,0|1,0,0]=3 98 B13R1.1546 CCOC(=O)[C@]1(C)CCCCC1=O AC9108 [0,1,0,1,0,0|1,0,1]=4 99 B13R1.1552 CCOC(=O)[C@@]1(C)CCCCNC1 73131 [0,1,0,1,0,0|1,0,0]=3 100 B13R1.1559 CCOC(=O)C1(C)CCC(C)C1=O F12523 [0,1,0,1,0,0|1,0,1]=4 101 B13R1.4446 CCOC(=O)C1(C)CCC(N)CC1 79730 [0,1,0,1,0,0|1,0,0]=3 102 B13R1.4446 CCOC(=O)C1(C)CCC(O)CC1 D78734 [0,1,0,1,0,0|1,0,0]=3 103 B13R1.4446 CCOC(=O)C1(F)CCC(N)CC1 D79012 [0,1,0,1,0,0|1,0,0]=3 104 B13R1.4446 CCOC(=O)[C@]1(C)CC[C@@H](O)CC1 D96639 [0,1,0,1,0,0|1,0,0]=3 105 B13R2.821 CCOC(=O)C1[C@H]2CC(=O)C[C@@H]12 D79516 [0,0,0,2,0,0|1,0,1]=4 106 B13R2.856 CCOC(=O)C1CC2CCC1O2 F51517 [0,0,0,2,0,0|1,0,0]=3 107 B13R2.856 CCOC(=O)C1CC2CCN1C2 C16161 [0,0,0,2,0,0|1,0,0]=3