0 B9R0.23 CC(C)OC(C)C(=O)NN 8104AC [0,0,0,0,0,0|4,0,0]=4 1 B9R0.23 COC(=O)[C@H](N)CC(=O)O 5515AA [0,0,0,0,0,0|3,0,1]=4 2 B8R0.3 C=CCC(N)C(=O)OC 4218AJ [1,0,0,0,0,0|1,0,2]=4 3 B8R0.3 C=CCC(N)C(=O)OC 4219AJ [1,0,0,0,0,0|1,0,2]=4 4 B8R0.3 CCCC(N)C(=O)NC 1487AF [1,0,0,0,0,0|2,0,0]=3 5 B8R0.3 CNCC(C)C(=O)OC Z2743 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.3 COCC(Br)C(=O)OC V4873 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.5 CCCC(C)CC(C)C 5321AL [1,0,0,0,0,0|2,0,1]=4 8 B8R0.9 CC(C)CNC(=O)CBr 4255AF [1,0,0,0,0,0|3,0,0]=4 9 B8R0.9 CC(C)CNC(=O)CN 5727AD [1,0,0,0,0,0|3,0,0]=4 10 B8R0.9 CC(C)OCC(=O)NN 2431AF [1,0,0,0,0,0|3,0,0]=4 11 B8R0.9 CCC(=O)CCC(C)=O 8738AA [1,0,0,0,0,0|2,0,1]=4 12 B8R0.9 CCC(=O)CCC(C)C 7962AF [1,0,0,0,0,0|1,0,0]=2 13 B8R0.9 CCC(C)CCC(C)C 5380AL [1,0,0,0,0,0|2,0,1]=4 14 B8R0.9 CN(C)CCC(=O)NN 7730AD [1,0,0,0,0,0|3,0,0]=4 15 B8R0.9 C\C(CCC(C)C)=N/O 6797AL [1,0,0,0,0,0|3,0,0]=4 16 B8R0.23 C=C(C)C[C@H](N)C(=O)O 7037AH [1,0,0,0,0,0|1,0,2]=4 17 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [1,0,0,0,0,0|0,0,2]=3 18 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [1,0,0,0,0,0|1,0,0]=2 19 B8R0.23 CC(=O)CC(C)C(=O)O 7660AE [1,0,0,0,0,0|2,0,1]=4 20 B8R0.23 CC(C)CC(O)C(C)C 5374AL [1,0,0,0,0,0|1,0,1]=3 21 B10R0.32 CCOC(=O)C(N)CC(C)C 9238AD [0,1,0,0,0,0|1,0,0]=2 22 B10R0.46 COC(=O)C[C@@H](C)C(=O)OC P621 [0,1,0,0,0,0|2,0,1]=4 23 B10R0.54 COC(=O)[C@H](CO)NC(C)=O 6113AH [0,1,0,0,0,0|2,0,1]=4 24 B10R0.56 COC(=O)C(C)C(=O)C(C)C X7165 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.14 COC(=O)C1CCC(N)C1 5832AA [0,0,0,1,0,0|2,0,0]=3 26 B10R1.14 COC(=O)C1CCC(N)C1 7012AJ [0,0,0,1,0,0|2,0,0]=3 27 B10R1.14 COC(=O)C1CCC(O)C1 4256AJ [0,0,0,1,0,0|2,0,0]=3 28 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 Z2033 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 Z2034 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 1231AL [0,0,0,1,0,0|2,0,1]=4 31 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 1092AL [0,0,0,1,0,0|2,0,0]=3 32 B10R1.427 COC(=O)C1(C)CC1(Cl)Cl 0206AQ [0,0,0,1,0,0|3,0,0]=4 33 B8R0.2 CC(C)[C@H](N)C(=O)CCl 7355AH [0,0,0,0,1,0|3,0,0]=4 34 B8R0.2 CNC(=O)C(N)C(C)C 6354AD [0,0,0,0,1,0|2,0,0]=3 35 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O 7348AH [0,0,0,0,1,0|3,0,0]=4 36 B8R0.2 COC(=O)C(Br)=C(C)C 4627AE [0,0,0,0,1,0|1,0,2]=4 37 B8R0.2 COC(=O)C(N)C(C)=O 0522AC [0,0,0,0,1,0|2,0,1]=4 38 B7R0.3 C=C(CC)CCCC 5608AL [2,0,0,0,0,0|2,0,0]=4 39 B7R0.3 C=CCCC(=O)OC 0026AQ [2,0,0,0,0,0|0,0,2]=4 40 B7R0.3 CCNCC(=O)OC 2143AA [2,0,0,0,0,0|1,0,0]=3 41 B7R0.3 CCNCC(=O)OC 2988AC [2,0,0,0,0,0|1,0,0]=3 42 B7R0.3 CNC(=O)CCCN 5583AD [2,0,0,0,0,0|2,0,0]=4 43 B7R0.3 CNCCC(=O)NC 4515AE [2,0,0,0,0,0|2,0,0]=4 44 B7R0.3 CNCCC(=O)NC 5845AE [2,0,0,0,0,0|2,0,0]=4 45 B7R0.3 CNCCC(=O)OC 1857AB [2,0,0,0,0,0|1,0,0]=3 46 B7R0.3 CNCCC(=O)OC X3419 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.3 COC(=N)CCCCl 2164AC [2,0,0,0,0,0|2,0,0]=4 48 B7R0.3 COC(=O)CCC=O W3030 [2,0,0,0,0,0|1,0,1]=4 49 B7R0.3 COC(=O)CCCS X9990 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.3 C\C=C\CC(=O)OC 9761AJ [2,0,0,0,0,0|0,0,2]=4 51 B7R0.5 CCC[C@H](O)C(=O)O Z6053 [2,0,0,0,0,0|0,0,0]=2 52 B7R0.5 CCSC(C)C(=O)O 6924AD [2,0,0,0,0,0|2,0,0]=4 53 B7R0.5 COCC(Cl)C(=O)O 2065AB [2,0,0,0,0,0|2,0,0]=4 54 B7R0.5 NC(CCBr)C(=O)O 1883AC [2,0,0,0,0,0|2,0,0]=4 55 B7R0.5 NCCC(N)C(=O)O W7673 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [2,0,0,0,0,0|2,0,0]=4 58 B7R0.10 CCC(=O)C(=O)OC W5987 [2,0,0,0,0,0|0,0,2]=4 59 B7R0.10 CCC(=O)C(O)CC 8871AL [2,0,0,0,0,0|1,0,0]=3 60 B7R0.10 CN[C@@H](C)C(=O)OC 0307AB [2,0,0,0,0,0|2,0,0]=4 61 B7R0.10 COC(=O)C(Cl)CO 0534AQ [2,0,0,0,0,0|2,0,0]=4 62 B7R0.10 COC(=O)C(F)CO 0323AC [2,0,0,0,0,0|2,0,0]=4 63 B7R0.10 COC(=O)C(N)CCl W5534 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.10 COC(=O)C(O)CN 7006AJ [2,0,0,0,0,0|1,0,0]=3 65 B7R0.2 C#CC(O)CC(C)C 6792AL [2,0,0,0,0,0|0,0,2]=4 66 B7R0.2 CCC(C)CC(C)C 5322AL [2,0,0,0,0,0|1,0,1]=4 67 B7R0.4 CCCCCC(C)C 5733AL [2,0,0,0,0,0|1,0,1]=4 68 B7R0.4 COCCNC(C)C 8018AC [2,0,0,0,0,0|1,0,1]=4 69 B7R0.6 C=C(C)CCC(C)C 5371AL [2,0,0,0,0,0|1,0,0]=3 70 B7R0.6 CC(=O)CCN(C)C 8474AD [2,0,0,0,0,0|1,0,0]=3 71 B7R0.6 CC(=O)NNC(C)C 6165AB [2,0,0,0,0,0|2,0,0]=4 72 B7R0.6 CC(=O)\C=C\C(C)C 6802AL [2,0,0,0,0,0|0,0,2]=4 73 B7R0.6 CC(C)CCC(C)C 5381AL [2,0,0,0,0,0|1,0,1]=4 74 B9R0.6 CCCC(C)C(=O)C(C)C 9737AA [1,1,0,0,0,0|2,0,0]=4 75 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC 2134AB [1,1,0,0,0,0|1,0,0]=3 76 B9R0.35 CCOC(=O)C(Cl)OCC 4043AB [1,1,0,0,0,0|2,0,0]=4 77 B9R0.7 CC(C)CNC(=O)C(C)N 2877AD [1,1,0,0,0,0|2,0,0]=4 78 B9R0.48 CNCC(=O)NCC(C)C 2001AD [1,1,0,0,0,0|2,0,0]=4 79 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O 0594AP [1,1,0,0,0,0|1,0,0]=3 80 B9R0.39 CC(C)CC(CN)C(=O)O 1792AL [1,1,0,0,0,0|1,0,0]=3 81 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 0447AB [1,1,0,0,0,0|1,0,0]=3 82 B9R0.39 CC(C)C[C@H](CN)C(=O)O 0749AB [1,1,0,0,0,0|1,0,0]=3 83 B9R0.39 CC(C)C[C@H](CN)C(=O)O 5990AA [1,1,0,0,0,0|1,0,0]=3 84 B9R0.57 CC(C)(C)CC(N)C(=O)O X5326 [1,1,0,0,0,0|1,0,0]=3 85 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O Z3806 [1,1,0,0,0,0|1,0,0]=3 86 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C 3788AH [0,1,0,0,1,0|2,0,0]=4 87 B9R0.25 COC(=O)C(O)C(F)(F)F 3635AF [0,1,0,0,1,0|2,0,0]=4 88 B9R0.25 COC(=O)[C@H](N)C(C)(C)C 9567AB [0,1,0,0,1,0|1,0,0]=3 89 B9R0.29 CN[C@H](C(=O)OC)[C@@H](C)O 0566AP [0,1,0,0,1,0|2,0,0]=4 90 B11R0.58 CCOC(=O)C(C)C(=O)C(C)C 3328AL [0,2,0,0,0,0|1,0,1]=4 91 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC M318 [0,2,0,0,0,0|1,0,1]=4 92 B11R0.39 COC(=O)[C@H](CC(C)C)N=C=S 7161AD [0,2,0,0,0,0|0,1,0]=3 93 B9R1.3 CN1CCCC(N)C1=O 2119AJ [1,0,0,1,0,0|2,0,0]=4 94 B9R1.3 CN1CCC[C@H](N)C1=O 6486AC [1,0,0,1,0,0|2,0,0]=4 95 B9R1.5 O=C1CCCCCC1Cl 5571AL [1,0,0,1,0,0|2,0,0]=4 96 B9R1.11 CNC(=O)C1CCCC1 3843AE [1,0,0,1,0,0|2,0,0]=4 97 B9R1.11 CNC(=O)C1CCCN1 Y7477 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.11 CNC(=O)[C@@H]1CCCN1 8574AH [1,0,0,1,0,0|2,0,0]=4 99 B9R1.11 COC(=O)[C@@H]1CCNC1 5916AB [1,0,0,1,0,0|2,0,0]=4 100 B9R1.15 CO[C@H]1CCCC[C@@H]1O 6160AA [1,0,0,1,0,0|1,0,1]=4 101 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 9615AF [1,0,0,1,0,0|2,0,0]=4 102 B9R1.101 COC(=O)C(N)C1CC1 3819AJ [1,0,0,1,0,0|1,0,0]=3 103 B9R1.186 COC(=O)C1(C)COC1 4959AA [1,0,0,1,0,0|2,0,0]=4 104 B9R1.186 COC(=O)C1(N)CCC1 W4473 [1,0,0,1,0,0|1,0,0]=3 105 B9R1.41 CN(C)C1COCC1O 0705AA [1,0,0,1,0,0|1,0,1]=4 106 B9R1.1 COC1CCC(C)CC1 4894AL [1,0,0,1,0,0|1,0,1]=4 107 B9R1.10 CC1(C)CC=C(Br)CC1 Y3535 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.35 CC(C)[C@@H]1COC(=S)N1 3966AA [1,0,0,1,0,0|1,1,0]=4 109 B9R1.35 CC(C)[C@H]1COC(=S)N1 1013AA [1,0,0,1,0,0|1,1,0]=4 110 B9R1.49 CN1CCCC(=O)CC1 W4017 [1,0,0,1,0,0|2,0,0]=4 111 B11R1.225 COC(=O)C1CC(C)CC1=O 6163AB [0,0,0,1,0,1|0,0,2]=4 112 B11R1.22 COC(=O)C1CCC(C)NC1 7129AJ [0,0,0,1,0,1|1,0,0]=3 113 B11R1.22 COC(=O)C1CCC(N)CC1 4270AJ [0,0,0,1,0,1|2,0,0]=4 114 B11R1.23 COC(=O)C1CC(O)CCN1 3968AB [0,1,0,1,0,0|2,0,0]=4 115 B11R1.23 COC(=O)C1CCCC(N)C1 1052AC [0,1,0,1,0,0|2,0,0]=4 116 B11R1.23 COC(=O)C1CNCC(O)C1 1863AA [0,1,0,1,0,0|2,0,0]=4 117 B11R1.23 COC(=O)C1CNCC(O)C1 7120AJ [0,1,0,1,0,0|2,0,0]=4 118 B11R1.851 COC(=O)[C@H]1O[C@H]1C(=O)OC 0957AQ [0,1,0,1,0,0|1,0,1]=4 119 B11R1.865 COC(=O)C1SCC(C)C1=O 2453AB [0,1,0,1,0,0|0,1,1]=4 120 B11R1.221 CC1(C)COC(=O)C(C)(C)N1 2643AF [0,1,0,1,0,0|2,0,0]=4 121 B7R0.16 CC(C(=O)O)N(C)C 5353AD [1,0,0,0,1,0|2,0,0]=4 122 B7R0.16 CC(C)C(F)C(=O)O W3426 [1,0,0,0,1,0|1,0,0]=3 123 B9R0.1 C=CC(=O)OCCC(C)C O145 [1,0,0,0,0,1|1,0,1]=4 124 B9R0.1 COC(=O)CCNC(C)=O 3347AB [1,0,0,0,0,1|1,0,1]=4 125 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [1,0,0,0,0,1|0,0,1]=3