0 B9R0.2 C=CCCCCOC(C)=O 6779AL [0,0,0,0,0,0|1,0,3]=4 1 B9R0.2 CC(=O)NCCCCCN 8354AL [0,0,0,0,0,0|2,0,1]=3 2 B9R0.2 CCCCSCCC(=O)O 7495AD [0,0,0,0,0,0|2,0,2]=4 3 B9R0.2 CCCC\C=C\CC(=O)O 7943AF [0,0,0,0,0,0|1,0,2]=3 4 B9R0.2 COCCCCCC(=O)O 5735AB [0,0,0,0,0,0|2,0,2]=4 5 B9R0.2 COCCCCOC(C)=O 6564AL [0,0,0,0,0,0|2,0,1]=3 6 B8R0.4 C=CCCCCCCC 8130AF [1,0,0,0,0,0|0,0,3]=4 7 B8R0.4 CCC#CCCCCC 6141AL [1,0,0,0,0,0|0,0,3]=4 8 B8R0.4 CCCCCCCCC 8936AJ [1,0,0,0,0,0|0,0,3]=4 9 B8R0.4 CCCCCCCSC 8022AL [1,0,0,0,0,0|1,0,2]=4 10 B8R0.4 CCC\C=C/CCCC 7450AL [1,0,0,0,0,0|0,0,3]=4 11 B8R0.4 CC\C=C/CCCCO 7454AL [1,0,0,0,0,0|1,0,1]=3 12 B8R0.4 C\C=C\CCCCCC 9212AL [1,0,0,0,0,0|0,0,1]=2 13 B8R0.7 C=C(C)CCCCCCl 6449AD [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 CCCCCC[C@H](C)O D263 [1,0,0,0,0,0|0,0,3]=4 15 B8R0.7 CCCCCO[N+](=O)[O-] 8770AL [1,0,0,0,0,0|3,0,0]=4 16 B8R0.7 CCCC\C=C\C(=O)O 6400AD [1,0,0,0,0,0|1,0,0]=2 17 B8R0.7 NC(=O)CCCCCO 3555AJ [1,0,0,0,0,0|2,0,1]=4 18 B8R0.7 O=C([O-])CCCCCO 0762AP [1,0,0,0,0,0|2,0,1]=4 19 B10R0.3 CCCC(C)CCOC(C)=O 6114AL [0,1,0,0,0,0|1,0,1]=3 20 B10R0.4 C=CCCCCCOC(C)=O 6880AL [0,1,0,0,0,0|1,0,2]=4 21 B10R0.4 CCCCCCOCC(=O)O 8556AB [0,1,0,0,0,0|1,0,2]=4 22 B10R0.4 CCCCCC\C=C\C(=O)O 5765AL [0,1,0,0,0,0|1,0,0]=2 23 B10R0.4 CCCCC\C=C\CC(=O)O 6140AL [0,1,0,0,0,0|1,0,0]=2 24 B10R0.4 CCOCCCCCC(=O)O 0871AC [0,1,0,0,0,0|1,0,2]=4 25 B10R0.6 CCCCCC(=O)CC(C)=O 6753AE [0,1,0,0,0,0|0,0,1]=2 26 B10R0.6 CCCCCC(N)CC(=O)O 1081AA [0,1,0,0,0,0|1,0,2]=4 27 B10R0.74 CCCCCCCC(=O)CC 5762AF [0,1,0,0,0,0|0,0,2]=3 28 B10R0.74 CCOCCCNC(=O)CCl 7671AC [0,1,0,0,0,0|2,0,1]=4 29 B10R0.74 CCOCCCNC(=O)CN 1540AD [0,1,0,0,0,0|2,0,1]=4 30 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [0,0,0,1,0,0|1,0,2]=4 31 B10R1.16 CCCCN1C=C[N+](C)=C1 1196AB [0,0,0,1,0,0|3,0,0]=4 32 B10R1.16 CCCCN1C=C[N+](C)=C1 4796AL [0,0,0,1,0,0|3,0,0]=4 33 B10R1.16 CCCCN1C=C[N+](C)=C1 4797AL [0,0,0,1,0,0|3,0,0]=4 34 B10R1.16 CCCCN1C=C[N+](C)=C1 Y2104 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.16 CCNCC1=CC=C(C)O1 5879AD [0,0,0,1,0,0|1,0,2]=4 36 B10R1.18 CC(=O)CC1CCCCC1 7815AC [0,0,0,1,0,0|0,0,2]=3 37 B10R1.18 CC(=O)CN1CCCCC1 7980AE [0,0,0,1,0,0|1,0,1]=3 38 B10R1.18 CC(=O)OC1CCNCC1 6299AC [0,0,0,1,0,0|2,0,1]=4 39 B10R1.18 NC(=O)CC1CCCCC1 7534AA [0,0,0,1,0,0|1,0,2]=4 40 B10R1.18 O=C(O)C=C1CCCCC1 7798AA [0,0,0,1,0,0|1,0,0]=2 41 B10R1.39 CCN1N=CC=C1C(C)=O 3995AF [0,0,0,1,0,0|2,0,1]=4 42 B10R1.66 CC(=O)OCC1CCNC1 1662AD [0,0,0,1,0,0|2,0,1]=4 43 B10R1.78 O=C1CCCCCCCC1 3914AB [0,0,0,1,0,0|0,0,2]=3 44 B10R1.348 OB(O)C1=CCCCCC1 X2289 [0,0,0,1,0,0|2,0,1]=4 45 B7R0.1 C=CCCCCCCl 5718AC [2,0,0,0,0,0|1,0,1]=4 46 B7R0.1 C=CCCCCCO 6859AL [2,0,0,0,0,0|1,0,1]=4 47 B7R0.1 C=CCCCCNC 8160AB [2,0,0,0,0,0|1,0,1]=4 48 B7R0.1 C=CCOCCCC 7029AL [2,0,0,0,0,0|1,0,1]=4 49 B7R0.1 CCCC\C=C\CO 9204AL [2,0,0,0,0,0|0,0,2]=4 50 B7R0.1 CC\C=C\CCCC 9221AL [2,0,0,0,0,0|0,0,1]=3 51 B7R0.1 C\C=C/CCCCC 7427AL [2,0,0,0,0,0|0,0,0]=2 52 B7R0.1 C\C=C\CCCCC 7960AF [2,0,0,0,0,0|0,0,0]=2 53 B7R0.1 O=CCCCCCCl Y9332 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.4 C=C(C)CCCCC 5698AL [2,0,0,0,0,0|1,0,0]=3 55 B7R0.4 CC(=O)NCCCN V6432 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.4 CC(=O)NCCCO 8280AC [2,0,0,0,0,0|2,0,0]=4 57 B7R0.4 CCCCCC(C)C 5733AL [2,0,0,0,0,0|1,0,1]=4 58 B7R0.4 CCCCCC(C)Cl 5577AL [2,0,0,0,0,0|1,0,1]=4 59 B7R0.4 CCCSCC(=O)O 6980AD [2,0,0,0,0,0|2,0,0]=4 60 B7R0.4 CCOCCC(C)=O 6489AL [2,0,0,0,0,0|1,0,0]=3 61 B7R0.4 CCO\C=C\C(=O)Cl 6797AE [2,0,0,0,0,0|2,0,0]=4 62 B7R0.4 CNCCCC(=O)O 2115AA [2,0,0,0,0,0|2,0,0]=4 63 B9R0.45 CCCCCC\C=C/CO 7426AL [1,1,0,0,0,0|0,0,1]=3 64 B9R0.46 CCCCCCC(C)C=O 2207AC [1,1,0,0,0,0|0,0,2]=4 65 B9R0.1 CCC(C)OCCC(C)=O 6681AL [1,1,0,0,0,0|1,0,1]=4 66 B9R0.4 CCCOC(=O)\C=C(\C)N 2141AJ [1,1,0,0,0,0|2,0,0]=4 67 B9R0.48 CCCC(C)CCC(C)=O 6799AL [1,1,0,0,0,0|0,0,1]=3 68 B9R0.55 CC(=O)CCOCC(C)C 6549AL [1,1,0,0,0,0|1,0,1]=4 69 B11R0.30 C=C(C)CCCCCOC(C)=O 8902AE [0,2,0,0,0,0|1,0,1]=4 70 B11R0.40 CCCCCCCCC(=O)OC 8243AL [0,2,0,0,0,0|0,0,2]=4 71 B11R0.40 CCCCCCCNC(=O)CBr 5387AE [0,2,0,0,0,0|0,0,2]=4 72 B11R0.148 C=CCCCCCCOC(C)=O 6898AL [0,2,0,0,0,0|1,0,1]=4 73 B11R0.148 CCCCCCC\C=C/C(=O)O Z1707 [0,2,0,0,0,0|1,0,0]=3 74 B11R0.148 CCCCCC\C=C\CC(=O)O 6032AL [0,2,0,0,0,0|1,0,0]=3 75 B11R0.148 CCCCC\C=C\CCC(=O)O 6469AL [0,2,0,0,0,0|1,0,0]=3 76 B11R0.77 C=CC(CCCCC)OC(C)=O R548 [0,2,0,0,0,0|1,0,1]=4 77 B11R0.154 CCCCCC(C)OC(=O)CCl 4957AB [0,2,0,0,0,0|1,0,1]=4 78 B11R0.4 CCCCCCNC(=O)CC#N 4930AE [0,2,0,0,0,0|1,0,1]=4 79 B9R1.8 O=CCC1CCCCC1 Y9495 [1,0,0,1,0,0|0,0,2]=4 80 B9R1.12 CCCCC1=CC=CO1 5552AL [1,0,0,1,0,0|0,0,2]=4 81 B9R1.2 COC1CCCC(=O)C1 2324AJ [1,0,0,1,0,0|1,0,1]=4 82 B9R1.2 O=C1CC(CO)CCN1 5141AE [1,0,0,1,0,0|2,0,0]=4 83 B9R1.2 O=C1CCCC(CO)C1 3736AB [1,0,0,1,0,0|1,0,1]=4 84 B9R1.6 CC(=O)C1=CSCCN1 8361AA [1,0,0,1,0,0|2,0,0]=4 85 B9R1.6 CC(=O)C1CCCCN1 Y4871 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.6 CC(=O)C1CCCNC1 9444AH [1,0,0,1,0,0|1,0,1]=4 87 B9R1.6 CC(=O)C1CCCNC1 9970AH [1,0,0,1,0,0|1,0,1]=4 88 B9R1.6 NC(=O)C1=CNCCC1 8430AE [1,0,0,1,0,0|2,0,0]=4 89 B9R1.6 O=C(Cl)N1CCCCC1 0709AQ [1,0,0,1,0,0|2,0,0]=4 90 B9R1.6 O=C(O)C1=CCCNC1 8985AB [1,0,0,1,0,0|2,0,0]=4 91 B9R1.6 O=C(O)C1=CCCOC1 X8488 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.7 CCCC1CNC(=O)C1 2594AF [1,0,0,1,0,0|1,0,0]=3 93 B9R1.13 CC(=O)N[C@H]1CCNC1 X9087 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.13 CC(=O)N[C@H]1CCNC1 X9602 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.13 CC(=O)OC1CCNC1 1432AD [1,0,0,1,0,0|2,0,0]=4 96 B9R1.48 CC1CC(=O)NCCN1 Y4643 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.84 O=C(O)CCC1CCC1 3714AE [1,0,0,1,0,0|1,0,1]=4 98 B9R1.84 O=C(O)\C=C\C1CCC1 0196AP [1,0,0,1,0,0|1,0,0]=3 99 B11R1.157 CC(=O)CN1CCCC(C)C1 0811AF [0,1,0,1,0,0|1,0,1]=4 100 B11R1.86 CC(=O)CC1CCCCN1C W1084 [0,1,0,1,0,0|0,0,2]=4 101 B11R1.86 CC(=O)CN1CCCCC1C 8273AD [0,1,0,1,0,0|0,0,2]=4 102 B11R1.91 CC(=O)OCC1CCCNC1 1664AD [0,1,0,1,0,0|1,0,1]=4 103 B11R1.91 CC(=O)OCC1CCNCC1 6179AD [0,1,0,1,0,0|1,0,1]=4 104 B11R1.101 O=C1CCCCCCCCC1 7516AA [0,1,0,1,0,0|0,0,2]=4 105 B11R1.34 CCCC1CC(=O)C=C(C)C1 M155 [0,1,0,1,0,0|0,0,0]=2 106 B11R1.34 CCCC1CC(=O)CC(=O)C1 8510AB [0,1,0,1,0,0|0,0,1]=3 107 B11R1.230 CCCCC1CC(=O)OC1=O 7307AL [0,1,0,1,0,0|1,0,0]=3 108 B11R1.1 CCCCC1=CC=C(C)C=C1 Z2332 [0,1,0,1,0,0|1,0,1]=4 109 B11R1.1 CCCCC1=CN=C(C)C=C1 5821AH [0,1,0,1,0,0|1,0,1]=4 110 B11R1.1 CCCCC1CCC(=O)CC1 W7348 [0,1,0,1,0,0|0,0,2]=4 111 B11R1.25 COC(=O)CNC1CCCC1 W4169 [0,1,0,1,0,0|1,0,1]=4 112 B11R1.40 O=C(CCl)OC1CCCCC1 Y9855 [0,1,0,1,0,0|1,0,1]=4 113 B11R1.214 CCCCC1=CC=C(C=O)S1 4651AF [0,1,0,1,0,0|1,0,1]=4 114 B11R1.222 CC1CCCCN1C(=O)CCl 3956AE [0,1,0,1,0,0|1,0,1]=4 115 B11R1.222 CC1CCCCN1C(=O)CN 2301AD [0,1,0,1,0,0|1,0,1]=4 116 B11R1.852 NCC(=O)N1CCCCCC1 2296AD [0,1,0,1,0,0|1,0,1]=4 117 B11R1.35 O=C(O)C(=O)NC1CCCC1 6143AD [0,1,0,1,0,0|2,0,0]=4