0 B9R0.2 CC(=O)OCCOCCCl 6974AA [0,0,0,0,0,0|2,0,0]=2 1 B9R0.2 CC(C)NCCCCCN 5224AD [0,0,0,0,0,0|3,0,1]=4 2 B9R0.2 CC(C)NCCCCCO 6718AL [0,0,0,0,0,0|3,0,1]=4 3 B9R0.2 CCCCCCCB(O)O Y5025 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.2 CCCCCCCC(C)C 5737AL [0,0,0,0,0,0|2,0,1]=3 5 B9R0.2 CCCCCCCC(N)=O 7980AF [0,0,0,0,0,0|2,0,0]=2 6 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [0,0,0,0,0,0|2,0,0]=2 7 B9R0.2 CCCCCCOC(C)=O 7968AF [0,0,0,0,0,0|0,0,0]=0 8 B9R0.2 COCCOCCC(=O)O X3859 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.2 NCCCCCCC(=O)O X4768 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.4 CCCCCCCCF V6056 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.4 CCCCCCON=O 8053AL [1,0,0,0,0,0|1,0,0]=2 12 B8R0.4 CCCCNCCCC W7485 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.7 C=CCCCOC(C)=O 6663AL [1,0,0,0,0,0|0,0,2]=3 14 B8R0.7 CC(=O)NCCCCN 8335AL [1,0,0,0,0,0|2,0,0]=3 15 B8R0.7 CC(=O)OCCCCBr 7492AF [1,0,0,0,0,0|1,0,0]=2 16 B8R0.7 CCCCCCC(=O)[O-] 7832AL [1,0,0,0,0,0|1,0,0]=2 17 B8R0.7 CCCCCCC(C)O Z6063 [1,0,0,0,0,0|0,0,2]=3 18 B8R0.7 CCCC\C=C\C(C)=O 6146AL [1,0,0,0,0,0|0,0,2]=3 19 B8R0.7 NC(=O)CCCCCBr 8542AB [1,0,0,0,0,0|2,0,0]=3 20 B8R0.7 NCCCCCC(=O)O 5982AB [1,0,0,0,0,0|2,0,0]=3 21 B8R0.7 NCCCNCC(=O)O 8332AL [1,0,0,0,0,0|3,0,0]=4 22 B8R0.7 O=C(Cl)CCCCCBr 5957AH [1,0,0,0,0,0|2,0,0]=3 23 B10R0.3 CCCC(=O)CCCC(=O)O 1674AE [0,1,0,0,0,0|2,0,1]=4 24 B10R0.4 CC(C)CCCCCCCO 0582AC [0,1,0,0,0,0|2,0,1]=4 25 B10R0.4 CCCCCCCCC(=O)Cl 8642AL [0,1,0,0,0,0|2,0,0]=3 26 B10R0.4 CCCCCCCCC(=O)[O-] 8744AL [0,1,0,0,0,0|2,0,0]=3 27 B10R0.4 CCCCCCCCC(C)C Z5044 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.4 CCCCCCCCC(C)O 5773AF [0,1,0,0,0,0|1,0,2]=4 29 B10R0.4 CCCCCCCOC(=O)Cl 3970AB [0,1,0,0,0,0|1,0,0]=2 30 B10R0.4 CCCCCC\C=C\C(C)=O 2414AL [0,1,0,0,0,0|1,0,0]=2 31 B10R0.4 O=C(O)COCCOCCO X3816 [0,1,0,0,0,0|3,0,0]=4 32 B10R0.22 CCCCCCCS(=O)(=O)[O-] 0617AB [0,1,0,0,0,0|3,0,0]=4 33 B10R0.22 CCCCCCOS(C)(=O)=O 8051AL [0,1,0,0,0,0|1,0,0]=2 34 B10R0.55 COC(=O)CCCCC(C)=O 0506AB [0,1,0,0,0,0|2,0,1]=4 35 B10R0.74 CCCCCCCC(=O)N[O-] 7323AL [0,1,0,0,0,0|2,0,0]=3 36 B10R0.74 CCCCCCCC(O)CC 6031AL [0,1,0,0,0,0|1,0,2]=4 37 B10R0.74 CCCCCCCC(O)CO 4474AL [0,1,0,0,0,0|1,0,2]=4 38 B10R0.74 CCCCCCNC(=S)NN 5076AE [0,1,0,0,0,0|2,1,0]=4 39 B10R0.74 COC(=O)CCCCCCBr W6840 [0,1,0,0,0,0|2,0,0]=3 40 B10R0.74 COC(=O)CCCCCCN W3908 [0,1,0,0,0,0|2,0,0]=3 41 B10R0.75 CCCCCCC(O)C(=O)O 7972AF [0,1,0,0,0,0|2,0,0]=3 42 B10R0.75 CCCCCC[C@@H](N)C(=O)O 1467AA [0,1,0,0,0,0|2,0,0]=3 43 B10R0.75 CNCCCC[C@H](N)C(=O)O Z5971 [0,1,0,0,0,0|3,0,0]=4 44 B10R0.97 CC(=O)CCCCCC(=O)O X3704 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.10 CCCC1CCCC(=O)O1 R377 [0,0,0,1,0,0|2,0,0]=3 46 B10R1.18 CC(=O)NC1CCCNC1 8592AB [0,0,0,1,0,0|2,0,0]=3 47 B10R1.18 O=C(O)CC1CCCNC1 V7579 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.18 O=C(O)CC1CCCNC1 W8079 [0,0,0,1,0,0|3,0,0]=4 49 B10R1.18 O=C(O)CC1CCNCC1 N549 [0,0,0,1,0,0|3,0,0]=4 50 B10R1.18 O=C(O)CN1CCCCC1 0202AE [0,0,0,1,0,0|3,0,0]=4 51 B10R1.39 CCN1CCC[C@H]1C(N)=O 4174AL [0,0,0,1,0,0|3,0,0]=4 52 B10R1.61 CC(=O)N1CCCCC1=O W5499 [0,0,0,1,0,0|2,0,1]=4 53 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 1036AL [0,0,0,1,0,0|3,0,0]=4 54 B10R1.66 O=C(O)CCN1CCCC1 1858AC [0,0,0,1,0,0|3,0,0]=4 55 B10R1.66 O=C(O)COC1CCCC1 5276AJ [0,0,0,1,0,0|3,0,0]=4 56 B10R1.78 O=C1CCCCCCCC1 3914AB [0,0,0,1,0,0|1,0,0]=2 57 B10R1.348 O=C(O)C1CCCCCN1 7360AB [0,0,0,1,0,0|3,0,0]=4 58 B10R1.348 S=C(S)N1CCCCCC1 8041AL [0,0,0,1,0,0|2,1,0]=4 59 B7R0.1 CCCCCCOC 8052AL [2,0,0,0,0,0|0,0,0]=2 60 B7R0.1 CCCCCOC=O 7518AF [2,0,0,0,0,0|0,0,0]=2 61 B7R0.1 CNCCCCNC 8068AA [2,0,0,0,0,0|2,0,0]=4 62 B7R0.4 CC(=O)CCCCCl D718 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.4 CCCCSC(C)=O 3195AL [2,0,0,0,0,0|0,1,0]=3 64 B7R0.4 CCCOCC(=O)O 5344AE [2,0,0,0,0,0|2,0,0]=4 65 B7R0.4 CNCCCC(=O)O 2115AA [2,0,0,0,0,0|2,0,0]=4 66 B7R0.4 COCCCC(=O)O 2917AB [2,0,0,0,0,0|2,0,0]=4 67 B7R0.4 NCCCCC(=O)O 9495AB [2,0,0,0,0,0|2,0,0]=4 68 B9R0.5 C=COC(=O)CCCCC 7945AF [1,1,0,0,0,0|0,0,2]=4 69 B9R0.5 CCCCCC(O)CCC 6654AL [1,1,0,0,0,0|1,0,1]=4 70 B9R0.18 CCCCC(O)CCCC 6808AL [1,1,0,0,0,0|1,0,1]=4 71 B9R0.45 C=CCCCCCCCCl 1177AF [1,1,0,0,0,0|1,0,1]=4 72 B9R0.45 C=CCCCCCCCO 6910AL [1,1,0,0,0,0|1,0,1]=4 73 B9R0.45 CCC#CCCCCCC 5747AF [1,1,0,0,0,0|1,0,1]=4 74 B9R0.45 CCCCCCC#CCO V0621 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.45 CCCCCCCCCS Q791 [1,1,0,0,0,0|1,0,1]=4 76 B9R0.45 CCCCCC\C=C/CO 7426AL [1,1,0,0,0,0|1,0,0]=3 77 B9R0.45 CNCCCCCCNC 5618AA [1,1,0,0,0,0|2,0,0]=4 78 B9R0.46 CCCCCCC(O)CC 6139AL [1,1,0,0,0,0|1,0,1]=4 79 B9R0.1 CCC(=O)CCCC(=O)O 1673AE [1,1,0,0,0,0|1,0,1]=4 80 B9R0.1 CCC(C)CCOC(C)=O 6119AL [1,1,0,0,0,0|0,0,0]=2 81 B9R0.1 CCC(C)OCCC(C)=O 6681AL [1,1,0,0,0,0|1,0,0]=3 82 B9R0.4 CSCC[C@H](N)CC(=O)O Z5847 [1,1,0,0,0,0|2,0,0]=4 83 B9R0.38 CCCCCC[N+](C)(C)C Z3300 [1,1,0,0,0,0|2,0,0]=4 84 B9R0.47 CCCCCC(N)C(=O)O 2079AA [1,1,0,0,0,0|1,0,0]=3 85 B9R0.47 CCCCC[C@@H](N)C(=O)O 6195AB [1,1,0,0,0,0|1,0,0]=3 86 B9R0.47 CCSCC[C@@H](N)C(=O)O C618 [1,1,0,0,0,0|2,0,0]=4 87 B9R0.47 NCCCCC(N)C(=O)O 8604AJ [1,1,0,0,0,0|2,0,0]=4 88 B9R0.47 NCCCC[C@H](N)C(=O)O 9230AB [1,1,0,0,0,0|2,0,0]=4 89 B9R0.55 CC(=O)CCOCC(C)C 6549AL [1,1,0,0,0,0|1,0,0]=3 90 B9R0.55 CC(C)CCCCC(=O)O 5715AC [1,1,0,0,0,0|1,0,0]=3 91 B9R0.55 CN(C)CCCCC(=O)O 6277AJ [1,1,0,0,0,0|2,0,0]=4 92 B11R0.1 CCOC(=O)CC(C)OC(C)=O 7790AL [0,2,0,0,0,0|1,0,1]=4 93 B11R0.30 CC(=O)NCCCCCC(=O)O R631 [0,2,0,0,0,0|1,0,1]=4 94 B11R0.40 CCCCCCCCC(=O)CC 6166AL [0,2,0,0,0,0|1,0,0]=3 95 B11R0.42 CC\C=C/CCOC(=O)C(C)O 7436AL [0,2,0,0,0,0|0,0,2]=4 96 B11R0.148 C=CCCCCCCCC(=O)O Z6188 [0,2,0,0,0,0|2,0,0]=4 97 B11R0.148 CCCCCCC\C=C\C(=O)O 4127AH [0,2,0,0,0,0|2,0,0]=4 98 B11R0.148 CCCCC\C=C\CCC(=O)O 6469AL [0,2,0,0,0,0|2,0,0]=4 99 B11R0.148 CCCCOCCOCC(=O)O 4029AL [0,2,0,0,0,0|1,0,0]=3 100 B11R0.148 O=C(O)CCCCCCCCBr Z4721 [0,2,0,0,0,0|2,0,0]=4 101 B11R0.4 CCCCCCCC(=O)CCC 5904AF [0,2,0,0,0,0|1,0,0]=3 102 B11R0.4 CCCCCCOC(=O)CC#N 8925AJ [0,2,0,0,0,0|0,0,0]=2 103 B11R0.4 CCCCC\C=C\C(=O)OCC 7895AL [0,2,0,0,0,0|1,0,1]=4 104 B11R0.4 CCOC(=O)CCCCCCN X0080 [0,2,0,0,0,0|2,0,0]=4 105 B9R1.5 NC1CCCCNC1=O W5198 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.5 N[C@@H]1CCCCNC1=O 2227AB [1,0,0,1,0,0|2,0,0]=4 107 B9R1.5 N[C@@H]1CCCCNC1=O W5158 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.5 N[C@H]1CCCCNC1=O V2119 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.8 BrCCC1CCOCC1 6395AB [1,0,0,1,0,0|1,0,1]=4 110 B9R1.8 CCNC1CCOCC1 0806AB [1,0,0,1,0,0|1,0,1]=4 111 B9R1.8 CCOC1CCCNC1 9686AC [1,0,0,1,0,0|1,0,1]=4 112 B9R1.8 CCOC1CCNCC1 Z7376 [1,0,0,1,0,0|1,0,1]=4 113 B9R1.8 CNCC1CCCCC1 V3614 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.8 CNCC1CCCCC1 V4720 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.8 NCCC1CCOCC1 V5672 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.8 NCCC1CCOCC1 Z2422 [1,0,0,1,0,0|1,0,1]=4 117 B9R1.8 O=CCC1CCOCC1 W7684 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.12 O=CCCC1CCCC1 5333AH [1,0,0,1,0,0|1,0,0]=3 119 B9R1.15 COC1CCCCC1=O 5686AL [1,0,0,1,0,0|2,0,0]=4 120 B9R1.33 O=C1OCCN1CCO 0596AE [1,0,0,1,0,0|2,0,0]=4 121 B9R1.2 CCC1CCCC(=O)C1 7677AD [1,0,0,1,0,0|0,0,0]=2 122 B9R1.6 CC(=O)C1=CCCCC1 7650AJ [1,0,0,1,0,0|0,0,2]=4 123 B9R1.6 CC(=O)C1CCNCC1 W9267 [1,0,0,1,0,0|1,0,0]=3 124 B9R1.6 CC(O)C1CCCCC1 3320AA [1,0,0,1,0,0|0,0,2]=4 125 B9R1.6 NC(=O)C1CCCCN1 X0387 [1,0,0,1,0,0|2,0,0]=4 126 B9R1.6 NC(=O)C1CCOCC1 W5605 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.6 O=C(O)C1CCCCO1 Y9295 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.6 O=C(O)C1CCCOC1 W8958 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.6 O=C(O)C1CCNCC1 W7261 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.6 O=C(O)C1CCSCC1 W9239 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.6 O=C(O)[C@@H]1CCCCN1 W4435 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.6 O=C(O)[C@@H]1CCCNC1 W9119 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.6 O=C(O)[C@H]1CCCNC1 3193AC [1,0,0,1,0,0|2,0,0]=4 134 B9R1.6 O=C(O)[C@H]1CCCNC1 C833 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.13 CC(=O)N[C@H]1CCNC1 X9602 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.13 O=C(O)CC1CCCC1 2161AA [1,0,0,1,0,0|1,0,0]=3 137 B9R1.13 O=C(O)CC1CCCN1 X4013 [1,0,0,1,0,0|2,0,0]=4 138 B9R1.13 O=C(O)CC1CCOC1 W3025 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.13 O=C(O)CN1CCCC1 0183AC [1,0,0,1,0,0|2,0,0]=4 140 B9R1.13 O=C(O)CN1CCCC1 Y8903 [1,0,0,1,0,0|2,0,0]=4 141 B9R1.13 O=C(O)C[C@@H]1CCCN1 M616 [1,0,0,1,0,0|2,0,0]=4 142 B9R1.13 O=C(O)C[C@H]1CCCN1 6072AB [1,0,0,1,0,0|2,0,0]=4 143 B9R1.13 O=C(O)C[C@H]1CCCN1 9054AH [1,0,0,1,0,0|2,0,0]=4 144 B9R1.41 CN1CCC[C@@H]1C(=O)O V7386 [1,0,0,1,0,0|2,0,0]=4 145 B9R1.41 CN1CCC[C@H]1C(=O)O 1661AL [1,0,0,1,0,0|2,0,0]=4 146 B9R1.41 NC1CCCC1C(=O)O 3422AA [1,0,0,1,0,0|2,0,0]=4 147 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 9632AA [1,0,0,1,0,0|2,0,0]=4 148 B9R1.48 O=C1CCCCC(=O)C1 X9379 [1,0,0,1,0,0|1,0,1]=4 149 B9R1.85 O=C(O)CSCC1CC1 4499AF [1,0,0,1,0,0|2,0,0]=4 150 B11R1.172 O=C(O)COCC1CCCO1 0776AF [0,1,0,1,0,0|2,0,0]=4 151 B11R1.86 CC(=O)CN1CCCCC1C 8273AD [0,1,0,1,0,0|1,0,0]=3 152 B11R1.91 CC(=O)NCC1CCCNC1 2720AF [0,1,0,1,0,0|1,0,0]=3 153 B11R1.91 CC(=O)OCC1CCCCC1 7517AL [0,1,0,1,0,0|0,0,0]=2 154 B11R1.91 O=C(O)CCC1CCNCC1 7073AB [0,1,0,1,0,0|2,0,0]=4 155 B11R1.91 O=C(O)CCC1CCNCC1 9555AA [0,1,0,1,0,0|2,0,0]=4 156 B11R1.143 CN1CCCCCC1C(=O)O 1648AL [0,1,0,1,0,0|2,0,0]=4 157 B11R1.742 O=C(O)CN1CCCCCC1 4967AE [0,1,0,1,0,0|2,0,0]=4 158 B11R1.34 CCCC1CC(=O)CC(=O)C1 8510AB [0,1,0,1,0,0|1,0,1]=4 159 B11R1.230 CCCCC1CC(=O)OC1=O 7307AL [0,1,0,1,0,0|0,0,1]=3 160 B11R1.928 NC1(CC(=O)O)CCCCC1 1934AE [0,1,0,1,0,0|2,0,0]=4 161 B11R1.928 NC1(CC(=O)O)CCCCC1 W5850 [0,1,0,1,0,0|2,0,0]=4 162 B11R1.20 CC(=O)N[C@H]1CC[C@H](O)CC1 9226AL [0,1,0,1,0,0|1,0,0]=3 163 B11R1.20 CC(=O)OC1CCC(=O)CC1 5616AB [0,1,0,1,0,0|0,0,1]=3 164 B11R1.1 CCCCN1CCC(=O)CC1 V4543 [0,1,0,1,0,0|2,0,0]=4 165 B11R1.25 O=C(CBr)NCC1CCCO1 2698AF [0,1,0,1,0,0|2,0,0]=4 166 B11R1.40 COC(=O)CC1CCCCC1 7045AA [0,1,0,1,0,0|1,0,0]=3 167 B11R1.40 COC(=O)CC1CCCNC1 V4654 [0,1,0,1,0,0|2,0,0]=4 168 B11R1.40 COC(=O)CC1CCNCC1 X4709 [0,1,0,1,0,0|2,0,0]=4 169 B11R1.40 COC(=O)CC1CCOCC1 V3532 [0,1,0,1,0,0|2,0,0]=4 170 B11R1.40 NOC(=O)CC1CCCCC1 W7029 [0,1,0,1,0,0|2,0,0]=4 171 B11R1.40 O=C(CCl)NC1CCCCC1 7988AD [0,1,0,1,0,0|1,0,0]=3 172 B11R1.40 O=C(CCl)OC1CCCCC1 Y9855 [0,1,0,1,0,0|0,0,0]=2 173 B11R1.222 COC(=O)C1CCCCN1C W3683 [0,1,0,1,0,0|2,0,0]=4 174 B11R1.852 O=C(CCl)N1CCCCCC1 4870AE [0,1,0,1,0,0|1,0,0]=3 175 B11R1.35 NC(CC1CCCC1)C(=O)O X5414 [0,1,0,1,0,0|2,0,0]=4 176 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O Z5424 [0,1,0,1,0,0|2,0,0]=4 177 B11R1.36 CC(C(=O)O)C1CCCCC1 6543AE [0,1,0,1,0,0|2,0,0]=4 178 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 V4048 [0,1,0,1,0,0|2,0,0]=4 179 B11R1.36 O=C(O)[C@H](O)C1CCCCC1 Z2102 [0,1,0,1,0,0|2,0,0]=4 180 B11R1.737 NC(=O)C1(N)CCCCCC1 2781AF [0,1,0,1,0,0|2,0,0]=4 181 B11R2.1 O=C1CCC2CNCCN12 4139AJ [0,0,0,2,0,0|2,0,0]=4 182 B11R2.1 O=C1OCC2CNCCN12 0547AA [0,0,0,2,0,0|2,0,0]=4 183 B11R2.703 O=C1CC2(CCNCC2)N1 4495AA [0,0,0,2,0,0|2,0,0]=4