0 B9R0.37 CCN(CC)C(=O)CNC 3839AE [0,0,0,0,0,0|3,0,0]=3 1 B8R0.3 C#CC(O)C(=O)OCC 5649AL [1,0,0,0,0,0|1,0,2]=4 2 B8R0.3 C=C(CCl)C(=O)OCC 5041AL [1,0,0,0,0,0|1,0,2]=4 3 B8R0.3 C=C(CO)C(=O)OCC X8486 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.3 CCCC(=O)C(C)CC 7877AA [1,0,0,0,0,0|1,0,0]=2 5 B8R0.20 CCC(CN)N(C)CC 8292AC [1,0,0,0,0,0|3,0,0]=4 6 B8R0.20 CCC(OC)C(=O)NN 8098AC [1,0,0,0,0,0|3,0,0]=4 7 B8R0.20 COC(=O)C(CN)CN Z4762 [1,0,0,0,0,0|2,0,0]=3 8 B10R0.33 CCN(CCO)C(=O)CCN 2092AD [0,1,0,0,0,0|3,0,0]=4 9 B10R0.33 CCN(CCO)C(=O)CNC 1753AD [0,1,0,0,0,0|3,0,0]=4 10 B10R0.101 CCOC(=O)C(CC)[N+](=O)[O-] 8441AD [0,1,0,0,0,0|2,0,0]=3 11 B10R0.101 CCOC(=O)C(OC)C(C)=O 5488AA [0,1,0,0,0,0|1,0,1]=3 12 B10R1.11 CCNC(=O)C1CCCN1 6332AE [0,0,0,1,0,0|2,0,0]=3 13 B10R1.11 CCOC(=O)C1CC=NN1 Z5298 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.11 CCOC(=O)C1CCOC1 6739AA [0,0,0,1,0,0|1,0,0]=2 15 B10R1.11 N#CCC(=O)C1CCCC1 6567AC [0,0,0,1,0,0|2,0,1]=4 16 B10R1.11 O=C(CCCl)N1CCCC1 7071AE [0,0,0,1,0,0|3,0,0]=4 17 B10R1.19 CCN1CCNCCC1=O 5544AD [0,0,0,1,0,0|3,0,0]=4 18 B10R1.19 N#CC1CCCCCC1=O 1846AJ [0,0,0,1,0,0|2,0,1]=4 19 B10R1.405 CCOC(=O)C1(CN)CC1 V5752 [0,0,0,1,0,0|1,0,0]=2 20 B7R0.3 CCCCC(C)CC 6251AE [2,0,0,0,0,0|1,0,1]=4 21 B7R0.3 CCC\C=C(/C)CC 6104AL [2,0,0,0,0,0|1,0,1]=4 22 B7R0.3 CCOCC(N)CC 8270AE [2,0,0,0,0,0|1,0,1]=4 23 B7R0.5 CCCC(=O)C(C)C 5712AL [2,0,0,0,0,0|1,0,0]=3 24 B7R0.5 CCNC(=O)C(C)Cl 7969AE [2,0,0,0,0,0|2,0,0]=4 25 B7R0.5 CCNC(=O)C(C)N 8428AC [2,0,0,0,0,0|2,0,0]=4 26 B7R0.5 CCOC(=N)C(C)C 8345AC [2,0,0,0,0,0|1,0,0]=3 27 B7R0.7 C=CCC(=O)OCC X3652 [2,0,0,0,0,0|0,0,2]=4 28 B7R0.7 CCNC(=O)CCN 1836AD [2,0,0,0,0,0|2,0,0]=4 29 B7R0.7 CCOC(=N)CCCl 7257AD [2,0,0,0,0,0|2,0,0]=4 30 B7R0.7 CCOS(=O)OCC 7113AF [2,0,0,0,0,0|2,0,0]=4 31 B7R0.10 CCC(=O)C(=O)OC W5987 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.10 CCC(=O)C(O)CC 8871AL [2,0,0,0,0,0|1,0,0]=3 33 B7R0.10 CCC(C)C(C)CC 5907AL [2,0,0,0,0,0|1,0,1]=4 34 B7R0.10 CCN(C)C(=O)CCl 8970AD [2,0,0,0,0,0|2,0,0]=4 35 B7R0.10 CNC(=O)C(C)NC 7051AE [2,0,0,0,0,0|2,0,0]=4 36 B7R0.10 CN[C@@H](C)C(=O)OC 0307AB [2,0,0,0,0,0|1,0,0]=3 37 B7R0.10 COC(=O)C(Cl)CO 0534AQ [2,0,0,0,0,0|2,0,0]=4 38 B7R0.10 COC(=O)C(F)CO 0323AC [2,0,0,0,0,0|2,0,0]=4 39 B7R0.10 COC(=O)C(N)CCl W5534 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.10 COC(=O)C(O)CN 7006AJ [2,0,0,0,0,0|2,0,0]=4 41 B7R0.10 C\C=C(\C)C(=O)OC 7087AL [2,0,0,0,0,0|0,0,2]=4 42 B7R0.12 CCNC(CC)CC 2358AE [2,0,0,0,0,0|1,0,0]=3 43 B7R0.12 CCN[C@@H](CC)CO 2889AC [2,0,0,0,0,0|2,0,0]=4 44 B7R0.15 CCC(OC)C(=O)O 8292AB [2,0,0,0,0,0|1,0,0]=3 45 B7R0.15 CN[C@H](CO)C(=O)O 0556AP [2,0,0,0,0,0|2,0,0]=4 46 B9R0.6 CCNC(=O)C(N)C(C)C 2776AD [1,1,0,0,0,0|2,0,0]=4 47 B9R0.6 CCOC(=O)C(Br)C(C)Br 7846AL [1,1,0,0,0,0|1,0,0]=3 48 B9R0.6 CCOC(=O)C(C)C(=O)O 2263AJ [1,1,0,0,0,0|1,0,1]=4 49 B9R0.19 CCOC(=O)C(C)(Br)CBr 8548AE [1,1,0,0,0,0|1,0,0]=3 50 B9R0.23 CCC(Br)C(=O)NC(C)C 2965AE [1,1,0,0,0,0|2,0,0]=4 51 B9R0.27 CCC(C)C(=O)C(C)CC 0100AB [1,1,0,0,0,0|1,0,0]=3 52 B9R0.35 CCOC(=O)C(Cl)OCC 4043AB [1,1,0,0,0,0|1,0,0]=3 53 B9R0.67 CCCCC(C)(CC)CC 6045AL [1,1,0,0,0,0|1,0,1]=4 54 B9R0.29 CN[C@H](C(=O)OC)[C@@H](C)O 0566AP [1,1,0,0,0,0|1,0,0]=3 55 B9R0.41 CCN(CC)C(=O)C(F)Cl 1693AE [1,1,0,0,0,0|2,0,0]=4 56 B11R0.57 CCCC(C(C)=O)C(=O)OCC 4804AD [0,2,0,0,0,0|0,0,1]=3 57 B11R0.294 CCN(CC)C(=O)C(N)C(C)C 2894AD [0,2,0,0,0,0|2,0,0]=4 58 B9R1.5 O=C1CCCCCC1Cl 5571AL [1,0,0,1,0,0|2,0,0]=4 59 B9R1.15 CCC1CCCCC1=O 6094AB [1,0,0,1,0,0|1,0,0]=3 60 B9R1.15 CCC1NCCNC1=O 5065AC [1,0,0,1,0,0|2,0,0]=4 61 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [1,0,0,1,0,0|1,0,0]=3 62 B9R1.73 CCOC(=O)C1CCN1 1941AC [1,0,0,1,0,0|1,0,0]=3 63 B9R1.73 CCOC(=O)C1CCN1 8256AA [1,0,0,1,0,0|1,0,0]=3 64 B9R1.73 CCOC(=O)[C@@H]1CCN1 2353AC [1,0,0,1,0,0|1,0,0]=3 65 B9R1.183 CCOC(=O)C1CC1C 0688AB [1,0,0,1,0,0|0,0,0]=2 66 B9R1.183 CCOC(=O)[C@H]1C[C@H]1F 3219AL [1,0,0,1,0,0|1,0,0]=3 67 B9R1.1 CCC1CCC(C)CC1 4854AL [1,0,0,1,0,0|1,0,1]=4 68 B9R1.12 CCCNC1CCCC1 2360AE [1,0,0,1,0,0|2,0,0]=4 69 B9R1.12 CCOCC1CCCN1 1661AF [1,0,0,1,0,0|1,0,1]=4 70 B9R1.12 CCOCC1CCNC1 0320AD [1,0,0,1,0,0|1,0,1]=4 71 B9R1.204 CCC1(CC)CCNC1 1129AE [1,0,0,1,0,0|1,0,1]=4 72 B9R1.190 COC(=O)C1(C#N)CC1 8212AE [1,0,0,1,0,0|1,0,1]=4 73 B9R1.190 COC(=O)C1(CN)CC1 6876AJ [1,0,0,1,0,0|1,0,0]=3 74 B9R1.190 COC(=O)C1(CO)CC1 4050AC [1,0,0,1,0,0|1,0,0]=3 75 B11R1.30 CCOC(=O)CC1CCNC1 1258AC [0,0,0,1,0,1|1,0,0]=3 76 B11R1.30 CCOC(=O)CC1OCCO1 6496AE [0,0,0,1,0,1|2,0,0]=4 77 B11R1.30 CCOC(=O)\C=C1\CCNC1 2419AD [0,0,0,1,0,1|1,0,1]=4 78 B11R1.30 CNCC(=O)NC1CCCC1 2013AD [0,0,0,1,0,1|2,0,0]=4 79 B11R1.30 NCCC(=O)NC1CCCC1 2335AD [0,0,0,1,0,1|2,0,0]=4 80 B11R1.29 CCCNC(=O)C1CCCN1 2931AD [0,1,0,1,0,0|2,0,0]=4 81 B11R1.29 O=C(NCCO)C1CCCN1 2824AD [0,1,0,1,0,0|2,0,0]=4 82 B11R1.16 CCNC(=O)C1CCCCN1 3074AD [0,1,0,1,0,0|1,0,0]=3 83 B11R1.16 CCNC(=O)C1CCNCC1 6669AD [0,1,0,1,0,0|1,0,0]=3 84 B11R1.16 CCNC(=O)C1CCNCC1 V4033 [0,1,0,1,0,0|1,0,0]=3 85 B11R1.16 CCOC(=O)C1CNCCO1 1605AA [0,1,0,1,0,0|1,0,0]=3 86 B11R1.16 CCOC(=O)C1CNCCS1 6815AJ [0,1,0,1,0,0|1,0,0]=3 87 B11R1.16 CCOC(=O)C1COCCN1 5295AA [0,1,0,1,0,0|1,0,0]=3 88 B11R1.16 CCOC(=O)C1COCCN1 6742AJ [0,1,0,1,0,0|1,0,0]=3 89 B11R1.16 CCOC(=O)C1CSCCN1 W7174 [0,1,0,1,0,0|1,0,0]=3 90 B11R1.16 CCOC(=O)C1CSCCN1 Y7685 [0,1,0,1,0,0|1,0,0]=3 91 B11R1.16 CCOC(=O)N1CCCCC1 7551AB [0,1,0,1,0,0|1,0,0]=3 92 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 1290AB [0,1,0,1,0,0|0,0,0]=2 93 B11R1.16 CCOC(=O)[C@@H]1COCCN1 1075AB [0,1,0,1,0,0|1,0,0]=3 94 B11R1.16 CCOC(=O)[C@H]1CCCCN1 1289AB [0,1,0,1,0,0|0,0,0]=2 95 B11R1.16 CCOC(=O)[C@H]1CCCNC1 2534AA [0,1,0,1,0,0|0,0,0]=2 96 B11R1.16 CCOC(=O)[C@H]1CCCNC1 3621AH [0,1,0,1,0,0|0,0,0]=2 97 B11R1.16 CCOC(=O)[C@H]1CCCNC1 V1785 [0,1,0,1,0,0|0,0,0]=2 98 B11R1.199 CCOC(=O)C1CCCC1O 3350AL [0,1,0,1,0,0|0,0,0]=2 99 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N 6621AJ [0,1,0,1,0,0|0,0,0]=2 100 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N 6619AJ [0,1,0,1,0,0|0,0,0]=2 101 B11R1.831 CCOC(=O)C1(CO)CCC1 0739AD [0,1,0,1,0,0|1,0,0]=3 102 B11R1.31 CCC(Br)C(=O)N1CCCC1 8849AC [0,1,0,1,0,0|2,0,0]=4 103 B11R1.31 CON(C)C(=O)C1CCCC1 3757AL [0,1,0,1,0,0|2,0,0]=4 104 B11R1.381 CCN1CCCC[C@H](N)C1=O 9154AH [0,1,0,1,0,0|2,0,0]=4 105 B11R1.835 CCOC(=O)C1(C(=O)O)CC1 X0127 [0,1,0,1,0,0|1,0,1]=4 106 B11R1.819 CCOC(=O)C1(N)CCCC1 7735AD [0,1,0,1,0,0|0,0,0]=2 107 B11R1.77 CC(C)NC(=O)C1CCCN1 2780AD [0,1,0,1,0,0|2,0,0]=4 108 B9R0.34 CCC(C)NC(=O)CNC 1462AD [1,0,0,0,0,1|2,0,0]=4 109 B9R0.34 CCCC(=O)OC(C)CC 8954AL [1,0,0,0,0,1|1,0,0]=3 110 B9R0.34 CCOC(=O)C[C@H](O)CBr 6466AC [1,0,0,0,0,1|2,0,0]=4 111 B9R0.34 C\C=C\C(=O)OC(C)CC 7496AL [1,0,0,0,0,1|1,0,1]=4 112 B11R0.9 CCOC(=O)\C=C\N(CC)CC 4563AB [0,0,0,0,0,2|1,0,0]=3