0 B10R1.66 CC(=O)OCC1CCNC1 1662AD [0,0,0,0,0,0|2,0,0]=2 1 B10R1.66 O=C(O)CCC1CCCO1 5871AC [0,0,0,0,0,0|2,0,0]=2 2 B10R1.66 O=[N+]([O-])CCC1OCCO1 W8647 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.12 CCOCC1CCCN1 1661AF [1,0,0,0,0,0|1,0,1]=3 4 B9R1.12 CCOCC1CCNC1 0320AD [1,0,0,0,0,0|2,0,1]=4 5 B11R1.25 CC(CN)OCC1CCCO1 1658AF [0,1,0,0,0,0|1,0,1]=3 6 B11R1.25 CCC(=O)OCC1CCNC1 1957AD [0,1,0,0,0,0|2,0,0]=3 7 B11R1.25 COC(=O)CCC1CCCC1 3543AL [0,1,0,0,0,0|2,0,0]=3 8 B11R1.25 COC(=O)CNC1CCCC1 W4169 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.25 NCC(=O)NCC1CCCO1 2160AF [0,1,0,0,0,0|1,0,0]=2 10 B9R0.2 C=CCCCCOC(C)=O 6779AL [0,0,1,0,0,0|1,0,1]=3 11 B9R0.2 CC(=O)SCCCCC#N 1280AQ [0,0,1,0,0,0|1,1,1]=4 12 B9R0.2 COCCCCOC(C)=O 6564AL [0,0,1,0,0,0|2,0,0]=3 13 B9R0.2 NC(=O)CCNCCCO 7886AC [0,0,1,0,0,0|3,0,0]=4 14 B9R0.48 CCCC(C)CCC(C)=O 6799AL [0,0,1,0,0,0|2,0,0]=3 15 B11R2.748 O=C1CC2(CCCC2)CN1 9285AE [0,0,0,1,0,0|2,0,0]=3 16 B11R2.748 O=C1CC2(CCNC2)CN1 4302AA [0,0,0,1,0,0|3,0,0]=4 17 B11R2.845 CC(=O)C1CC2C=CC1C2 X4115 [0,0,0,1,0,0|2,0,1]=4 18 B11R2.845 [C@H]12CC[C@H](C1)C(C(C)=O)C2 6102AE [0,0,0,1,0,0|2,0,0]=3 19 B9R1.13 CC(=O)CC1C=CCC1 7924AF [0,0,0,0,1,0|1,0,1]=3 20 B9R1.13 CC(=O)OC1CCNC1 1432AD [0,0,0,0,1,0|2,0,0]=3 21 B9R1.13 CC(C)CC1CCCN1 Z7919 [0,0,0,0,1,0|2,0,1]=4 22 B9R1.13 O=C(O)CC1CCCN1 8327AB [0,0,0,0,1,0|2,0,0]=3 23 B9R1.84 O=[N+]([O-])CCC1CCC1 0886AA [0,0,0,0,1,0|3,0,0]=4 24 B11R1.91 CC(=O)NCC1CCNCC1 8556AE [0,0,0,0,0,1|2,0,0]=3 25 B11R1.91 CC(=O)OCC1CCCNC1 1664AD [0,0,0,0,0,1|1,0,0]=2 26 B11R1.91 CC(=O)OCC1CCNCC1 6179AD [0,0,0,0,0,1|1,0,0]=2 27 B11R1.91 CC(C)OCC1CCCNC1 1045AD [0,0,0,0,0,1|2,0,1]=4 28 B11R1.91 CC(C)OCC1CCNCC1 1043AD [0,0,0,0,0,1|2,0,1]=4 29 B11R1.91 O=C(O)CCC1CCCCN1 6959AC [0,0,0,0,0,1|3,0,0]=4 30 B11R1.91 O=C(O)CCC1CCCNC1 9554AA [0,0,0,0,0,1|3,0,0]=4 31 B11R1.91 O=C(O)CCC1OCCCO1 9605AE [0,0,0,0,0,1|2,0,0]=3 32 B11R1.91 O=C(O)CCN1CCCCO1 0335AD [0,0,0,0,0,1|3,0,0]=4 33 B11R1.172 C=C(C)COCC1CCNC1 1732AD [0,0,0,0,0,1|3,0,0]=4 34 B11R1.172 NC(=O)CCNC1CCCC1 6502AD [0,0,0,0,0,1|3,0,0]=4 35 B8R0.4 CNCCCCCCO 4396AE [1,0,1,0,0,0|2,0,0]=4 36 B8R0.4 C\C=C\CCCCCC 9212AL [1,0,1,0,0,0|2,0,0]=4 37 B8R0.7 C=C(C)CCCCCCl 6449AD [1,0,1,0,0,0|2,0,0]=4 38 B8R0.7 CCCCCO[N+](=O)[O-] 8770AL [1,0,1,0,0,0|2,0,0]=4 39 B8R0.7 NC(=O)CCCCCO 3555AJ [1,0,1,0,0,0|1,0,0]=3 40 B8R0.9 CCC(=O)COC(C)=O X5648 [1,0,1,0,0,0|0,0,2]=4 41 B8R0.9 CCC(C)COC(C)=O 1426AQ [1,0,1,0,0,0|0,0,0]=2 42 B8R0.1 CCCC(C)COC=O 5740AL [1,0,1,0,0,0|1,0,0]=3 43 B8R1.8 C=CCC1CCCC1 1184AQ [2,0,0,0,0,0|1,0,1]=4 44 B8R1.8 CNCC1CCCC1 7687AE [2,0,0,0,0,0|2,0,0]=4 45 B8R1.8 CNCC1CCCC1 8911AH [2,0,0,0,0,0|2,0,0]=4 46 B8R1.8 CNCC1OCCO1 1363AQ [2,0,0,0,0,0|2,0,0]=4 47 B8R1.8 COC[C@@H]1CCNC1 8987AH [2,0,0,0,0,0|2,0,0]=4 48 B8R1.8 COC[C@H]1CCNC1 9152AH [2,0,0,0,0,0|2,0,0]=4 49 B8R1.8 N#CCC1CCCO1 Z4607 [2,0,0,0,0,0|1,0,1]=4 50 B8R1.8 NCCC1CCCO1 4604AF [2,0,0,0,0,0|1,0,1]=4 51 B10R0.3 CCCC(C)CCOC(C)=O 6114AL [0,1,1,0,0,0|1,0,0]=3 52 B10R0.4 C=CCCCCCOC(C)=O 6880AL [0,1,1,0,0,0|1,0,0]=3 53 B10R0.4 CCCCCCOCC(=O)O 8556AB [0,1,1,0,0,0|2,0,0]=4 54 B10R0.74 CCCCCCCC(=O)CC 5762AF [0,1,1,0,0,0|2,0,0]=4 55 B10R0.74 CCC\C=C\COC(=O)CC 8877AL [0,1,1,0,0,0|1,0,1]=4 56 B10R0.74 CC\C=C/CCOC(=O)CC 3899AB [0,1,1,0,0,0|1,0,1]=4 57 B10R0.74 CNC(=O)CCNCCCO 7931AC [0,1,1,0,0,0|2,0,0]=4 58 B10R0.74 COC(=O)CCNCCCO 8073AC [0,1,1,0,0,0|2,0,0]=4 59 B10R1.21 NCCOCC1CCCC1 1619AF [1,1,0,0,0,0|1,0,1]=4 60 B10R1.21 NCCOCC1CCCO1 1050AE [1,1,0,0,0,0|0,0,1]=3 61 B10R1.21 OCCOCC1CCCO1 6047AE [1,1,0,0,0,0|0,0,1]=3 62 B10R1.23 NC(C(=O)O)C1CCCC1 5839AC [0,1,0,0,1,0|2,0,0]=4 63 B10R1.151 COC(=O)CCN1CCC1 4362AE [0,1,0,0,1,0|2,0,0]=4 64 B10R1.266 CC(=O)CC(=O)C1CCC1 7579AC [0,1,0,0,1,0|1,0,1]=4 65 B12R1.27 CCC(=O)OCC1CCCNC1 1932AD [0,1,0,0,0,1|1,0,0]=3 66 B12R1.27 CCC(=O)OCC1CCNCC1 6180AD [0,1,0,0,0,1|1,0,0]=3 67 B12R1.27 NCC(=O)NCC1CCOCC1 1648AD [0,1,0,0,0,1|2,0,0]=4 68 B12R1.477 COC(=O)CCNC1CCCC1 W8274 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.51 CNCC(=O)NCC1CCCO1 9509AD [0,2,0,0,0,0|1,0,0]=3 70 B12R1.51 CNCC(=O)NCC1CCCO1 9753AE [0,2,0,0,0,0|1,0,0]=3 71 B12R1.51 COCC(=O)OCC1CCNC1 2113AD [0,2,0,0,0,0|2,0,0]=4 72 B12R1.51 N#CCC(=O)NCC1CCCO1 0235AE [0,2,0,0,0,0|1,0,0]=3 73 B12R1.51 NCCC(=O)NCC1CCCO1 2071AD [0,2,0,0,0,0|1,0,0]=3 74 B12R1.108 COC(=O)C(N)CC1CCCC1 2122AA [0,2,0,0,0,0|2,0,0]=4 75 B12R1.108 COC(=O)[C@H](N)CC1CCCC1 3764AA [0,2,0,0,0,0|2,0,0]=4 76 B10R1.18 CC(=O)CC1CCCCC1 7815AC [0,0,1,1,0,0|2,0,0]=4 77 B10R1.18 O=C(O)CC1CCCOC1 7652AC [0,0,1,1,0,0|2,0,0]=4 78 B10R1.61 O=C(O)C1CCCCC1O W7331 [0,0,1,1,0,0|2,0,0]=4 79 B10R1.78 O=C1CCCCCCCN1 5501AL [0,0,1,1,0,0|2,0,0]=4 80 B10R1.113 CC(=O)N1CCCC(O)C1 2724AE [0,0,1,1,0,0|1,0,0]=3 81 B10R2.99 O=CC1CC2CCC1C2 W4144 [1,0,0,1,0,0|2,0,0]=4 82 B10R2.2 O=C1CC2CNCC2C1 4135AJ [0,0,0,1,1,0|2,0,0]=4 83 B10R2.2 [C@@H]12CCC=C1CC(=O)O2 Y8486 [0,0,0,1,1,0|1,0,1]=4 84 B10R2.332 O=C1CC2(CN1)COC2 Z3975 [0,0,0,1,1,0|2,0,0]=4 85 B10R2.638 O=C(O)C1CC12CCC2 3827AL [0,0,0,1,1,0|2,0,0]=4 86 B12R2.24 O=C1CCC2CCCCC2C1 0457AQ [0,0,0,1,0,1|2,0,0]=4 87 B12R2.2918 O=C1CC2(CCCNC2)CN1 2555AA [0,0,0,1,0,1|2,0,0]=4 88 B12R2.2918 O=C1NC2(CCNCC2)CO1 2372AJ [0,0,0,1,0,1|2,0,0]=4 89 B12R2.5121 O=C1CCOC2(CCCC2)C1 Y1939 [0,0,0,1,0,1|2,0,0]=4 90 B12R2.253 O=C(O)C1CC2CCC(C1)O2 3313AC [0,1,0,1,0,0|2,0,0]=4 91 B12R2.783 O=C1CC2(CCCC2)C(=O)O1 5667AE [0,1,0,1,0,0|1,0,1]=4 92 B8R0.16 C=CC(CC)OC(C)=O 4942AL [0,0,1,0,1,0|1,0,1]=4 93 B8R0.5 C=C(C)CC(C)CCC 5311AL [0,0,1,0,1,0|2,0,0]=4 94 B8R1.10 CCOCC1CNC1 2386AF [1,0,0,0,1,0|1,0,1]=4 95 B8R1.7 CC(=O)C1CCNC1 Y4441 [0,0,0,0,2,0|2,0,0]=4 96 B8R1.7 CC(=O)N1CCCC1 4743AL [0,0,0,0,2,0|2,0,0]=4 97 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [0,0,0,0,2,0|2,0,0]=4 98 B8R1.34 CC(=O)OC1CNC1 9055AE [0,0,0,0,2,0|1,0,0]=3 99 B8R1.34 O=C(O)CC1CNC1 1241AJ [0,0,0,0,2,0|2,0,0]=4 100 B10R1.17 O=CCCC1CCCCC1 6024AB [1,0,0,0,0,1|2,0,0]=4 101 B12R1.252 CC(=O)NCCC1CCCCN1 1985AF [0,0,0,0,0,2|2,0,0]=4 102 B12R1.252 CC(=O)OCCC1CCCCN1 1915AD [0,0,0,0,0,2|1,0,0]=3 103 B12R1.252 CC(=O)OCCC1CCCNC1 2093AD [0,0,0,0,0,2|1,0,0]=3 104 B12R1.252 CC(=O)OCCC1CCNCC1 6181AD [0,0,0,0,0,2|1,0,0]=3 105 B12R1.255 NC(=O)CCNCC1CCCO1 7900AC [0,0,0,0,0,2|2,0,0]=4