0 B9R0.45 C#CCCCCCCC#C 4688AL [0,0,0,0,0,0|1,0,3]=4 1 B9R0.45 C#CCCCCCCCO X5979 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.45 C=CCCCCCCCCl 1177AF [0,0,0,0,0,0|1,0,2]=3 3 B9R0.45 C=CCCCCCCCO 6910AL [0,0,0,0,0,0|0,0,2]=2 4 B9R0.45 CCC#CCCCCCC 5747AF [0,0,0,0,0,0|1,0,2]=3 5 B9R0.45 CCCCCC#CCCO V0610 [0,0,0,0,0,0|0,0,2]=2 6 B9R0.45 CCCCCCC#CCO V0621 [0,0,0,0,0,0|0,0,2]=2 7 B9R0.45 CCCCCCCCC#N 8127AF [0,0,0,0,0,0|1,0,1]=2 8 B9R0.45 CCCCCCCCCS Q791 [0,0,0,0,0,0|0,1,0]=1 9 B9R0.45 CCCCCC\C=C/CO 7426AL [0,0,0,0,0,0|0,0,2]=2 10 B9R0.45 CCCCC\C=C/CCO 7441AL [0,0,0,0,0,0|0,0,2]=2 11 B9R0.45 CCCNCCNCCC 5593AD [0,0,0,0,0,0|3,0,0]=3 12 B9R0.45 CNCCCCCCNC 5618AA [0,0,0,0,0,0|3,0,0]=3 13 B9R0.45 ICCCCCCCCI 4683AL [0,0,0,0,0,0|2,0,0]=2 14 B9R0.45 ICCOCCOCCI Z2242 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.45 NCCCCNCCCN 7714AH [0,0,0,0,0,0|3,0,0]=3 16 B9R0.45 OCCCCCCCCCl Q040 [0,0,0,0,0,0|1,0,0]=1 17 B9R0.45 SCCCCCCCCS 7639AJ [0,0,0,0,0,0|1,1,0]=2 18 B8R0.4 CCCCCCCCF V6056 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.4 CCCCCCON=O 8053AL [1,0,0,0,0,0|2,0,1]=4 20 B8R0.4 CCCCCOCCO 6511AH [1,0,0,0,0,0|1,0,0]=2 21 B8R0.4 CCCCNCCC#N 8245AE [1,0,0,0,0,0|2,0,1]=4 22 B8R0.4 CCCCNCCCC W7485 [1,0,0,0,0,0|1,0,0]=2 23 B8R0.4 CCCCOCCCN P793 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.4 CCCC\C=C/CCO 7442AL [1,0,0,0,0,0|0,0,2]=3 25 B8R0.4 CC\C=C/CCCCO 7454AL [1,0,0,0,0,0|0,0,2]=3 26 B8R0.4 ClCCCCCCCBr 4782AL [1,0,0,0,0,0|2,0,0]=3 27 B8R0.4 N#CCCCCCCBr L877 [1,0,0,0,0,0|2,0,1]=4 28 B10R0.1 CCCCCCC(=O)CCC 9409AB [0,1,0,0,0,0|1,0,1]=3 29 B10R0.1 CCCCCCC(C)N=C=S 8314AE [0,1,0,0,0,0|1,1,1]=4 30 B10R0.1 CCCCCOC(=O)CCC 7746AB [0,1,0,0,0,0|2,0,1]=4 31 B10R0.4 CC(C)CCCCCCCO 0582AC [0,1,0,0,0,0|0,0,0]=1 32 B10R0.4 CCCCCCCCC(=O)Cl 8642AL [0,1,0,0,0,0|0,0,2]=3 33 B10R0.4 CCCCCCCCC(=O)[O-] 8744AL [0,1,0,0,0,0|0,0,2]=3 34 B10R0.4 CCCCCCCCC(C)C Z5044 [0,1,0,0,0,0|1,0,0]=2 35 B10R0.4 CCCCCCCCC(C)O 5773AF [0,1,0,0,0,0|0,0,0]=1 36 B10R0.4 CCCCCCCOC(=O)Cl 3970AB [0,1,0,0,0,0|1,0,2]=4 37 B10R0.71 CCC#CCCCCCCC 6167AL [0,1,0,0,0,0|1,0,1]=3 38 B10R0.71 CCC#CCCCCCCCl 4710AL [0,1,0,0,0,0|1,0,1]=3 39 B10R0.71 CCCCCCCC#CCO V0616 [0,1,0,0,0,0|0,0,1]=2 40 B10R0.71 CCCCCCCCCCC U203 [0,1,0,0,0,0|1,0,0]=2 41 B10R0.71 CCCCCCCCNC=O 8620AL [0,1,0,0,0,0|0,0,2]=3 42 B10R0.71 CCCCCNCCCCC 7593AL [0,1,0,0,0,0|1,0,0]=2 43 B10R0.71 CCCCCSCCCCC 5783AF [0,1,0,0,0,0|1,0,0]=2 44 B10R0.71 CCCCC\C=C/CCCO 7446AL [0,1,0,0,0,0|0,0,1]=2 45 B10R0.71 CCCC\C=C\CCCCO 9236AL [0,1,0,0,0,0|0,0,1]=2 46 B10R0.71 ClCCCCCCCCCCl Z5156 [0,1,0,0,0,0|1,0,0]=2 47 B10R0.71 OCCCCCCCCCCl 7136AB [0,1,0,0,0,0|0,0,0]=1 48 B10R0.71 OCCCCNCCCCO 2416AC [0,1,0,0,0,0|1,0,0]=2 49 B10R0.71 OCCSCCCSCCO 5964AL [0,1,0,0,0,0|2,0,0]=3 50 B10R0.74 C=CC(O)CCCCCCC U552 [0,1,0,0,0,0|1,0,1]=3 51 B10R0.74 CCCCCCCC(=O)N[O-] 7323AL [0,1,0,0,0,0|1,0,2]=4 52 B10R0.74 CCCCCCCC(O)CC 6031AL [0,1,0,0,0,0|1,0,0]=2 53 B10R0.74 CCCCCCCC(O)CO 4474AL [0,1,0,0,0,0|0,0,0]=1 54 B10R0.74 COC(=O)CCCCCCBr W6840 [0,1,0,0,0,0|2,0,1]=4 55 B10R0.74 COC(=O)CCCCCCN W3908 [0,1,0,0,0,0|2,0,1]=4 56 B10R0.91 CCCCCC(=O)OCCC 9028AJ [0,1,0,0,0,0|2,0,1]=4 57 B10R0.91 CCCCCC(O)CCCC 6764AL [0,1,0,0,0,0|1,0,0]=2 58 B10R1.4 CC1CCCCN1CCN 1969AC [0,0,0,1,0,0|2,0,0]=3 59 B10R1.4 CCCC1CCCCC1O 5770AL [0,0,0,1,0,0|0,0,0]=1 60 B10R1.17 CCCCC1CCNCC1 W5826 [0,0,0,1,0,0|2,0,0]=3 61 B10R1.17 CCCOC1CCCNC1 2224AF [0,0,0,1,0,0|3,0,0]=4 62 B10R1.17 CCCOC1CCNCC1 V8905 [0,0,0,1,0,0|3,0,0]=4 63 B10R1.17 ClCCOC1CCCCO1 5697AE [0,0,0,1,0,0|2,0,0]=3 64 B10R1.17 N#CCCN1CCCCC1 9789AD [0,0,0,1,0,0|2,0,1]=4 65 B10R1.17 NCCCC1CCCCC1 5332AH [0,0,0,1,0,0|1,0,0]=2 66 B10R1.17 NCCSC1CCCCC1 7883AE [0,0,0,1,0,0|2,0,0]=3 67 B10R1.17 NNCCN1CCCCC1 8353AE [0,0,0,1,0,0|3,0,0]=4 68 B10R1.17 OCCCC1CCNCC1 0904AC [0,0,0,1,0,0|1,0,0]=2 69 B10R1.17 OCCCC1CCNCC1 7796AA [0,0,0,1,0,0|1,0,0]=2 70 B10R1.20 OC[C@@H]1CCCC[C@H]1CO X6176 [0,0,0,1,0,0|1,0,0]=2 71 B10R1.20 OC[C@@H]1CCCC[C@H]1CO Z3750 [0,0,0,1,0,0|1,0,0]=2 72 B10R1.20 OC[C@H]1CCCC[C@@H]1CO X6158 [0,0,0,1,0,0|1,0,0]=2 73 B10R1.21 BrCCCCC1OCCO1 1141AJ [0,0,0,1,0,0|2,0,0]=3 74 B10R1.21 CCCNCC1CCCO1 1152AC [0,0,0,1,0,0|1,0,0]=2 75 B10R1.21 CCNCCN1CCCC1 4073AD [0,0,0,1,0,0|3,0,0]=4 76 B10R1.21 ClCCCCC1OCCO1 0179AP [0,0,0,1,0,0|2,0,0]=3 77 B10R1.78 O=C1CCCCCCCC1 3914AB [0,0,0,1,0,0|0,0,2]=3 78 B10R1.85 CCNC1CCCCCC1 3947AE [0,0,0,1,0,0|2,0,0]=3 79 B10R1.85 ClCCN1CCCCCC1 W4986 [0,0,0,1,0,0|2,0,0]=3 80 B10R1.85 NCCC1CCCCCC1 6136AB [0,0,0,1,0,0|1,0,0]=2 81 B10R1.85 NCCN1CCCCCC1 4661AE [0,0,0,1,0,0|2,0,0]=3 82 B7R0.1 CCCC#CCCC 7932AF [2,0,0,0,0,0|0,0,2]=4 83 B7R0.1 CCCC#CCCO 5337AH [2,0,0,0,0,0|0,0,2]=4 84 B7R0.1 CCCCC#CCO V0602 [2,0,0,0,0,0|0,0,2]=4 85 B7R0.1 CCCCCCOC 8052AL [2,0,0,0,0,0|1,0,0]=3 86 B7R0.1 CCCCSCCO 5039AL [2,0,0,0,0,0|1,0,0]=3 87 B7R0.1 CCCNCCCN 1645AB [2,0,0,0,0,0|2,0,0]=4 88 B7R0.1 CCC\C=C/CCC 7451AL [2,0,0,0,0,0|0,0,2]=4 89 B7R0.1 CCNCCCCO 2370AE [2,0,0,0,0,0|1,0,0]=3 90 B7R0.1 CC\C=C/CCCO 7447AL [2,0,0,0,0,0|0,0,2]=4 91 B7R0.1 CNCCCCNC 8068AA [2,0,0,0,0,0|2,0,0]=4 92 B7R0.1 NCCCNCCO 6154AB [2,0,0,0,0,0|2,0,0]=4 93 B7R0.1 NCCNCCCO 8334AL [2,0,0,0,0,0|2,0,0]=4 94 B9R0.2 CC(C)NCCCCCN 5224AD [1,1,0,0,0,0|2,0,0]=4 95 B9R0.2 CC(C)NCCCCCO 6718AL [1,1,0,0,0,0|1,0,0]=3 96 B9R0.2 CCCCCCCB(O)O Y5025 [1,1,0,0,0,0|1,0,0]=3 97 B9R0.2 CCCCCCCC(C)C 5737AL [1,1,0,0,0,0|0,0,0]=2 98 B9R0.2 CCCCCCCC(N)=O 7980AF [1,1,0,0,0,0|0,0,2]=4 99 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [1,1,0,0,0,0|0,0,1]=3 100 B9R0.2 CCCCCCOC(C)=O 7968AF [1,1,0,0,0,0|1,0,1]=4 101 B9R0.2 NCCCCCCC(=O)O X4768 [1,1,0,0,0,0|1,0,1]=4 102 B9R0.5 CCCCCC(O)CCC 6654AL [1,1,0,0,0,0|0,0,0]=2 103 B9R0.18 CCCCC(O)CCCC 6808AL [1,1,0,0,0,0|0,0,0]=2 104 B9R0.18 CCCCS(=O)CCCC S178 [1,1,0,0,0,0|1,0,0]=3 105 B9R0.46 CCCCCCC(O)CC 6139AL [1,1,0,0,0,0|0,0,0]=2 106 B9R0.46 COC(=O)CCCCCO 6266AB [1,1,0,0,0,0|1,0,1]=4 107 B11R0.4 CCCCCCCC(=O)CCC 5904AF [0,2,0,0,0,0|1,0,0]=3 108 B11R0.4 CCOC(=O)CCCCCCN X0080 [0,2,0,0,0,0|1,0,1]=4 109 B11R0.81 CCCCCCC(=O)CCCC 6822AL [0,2,0,0,0,0|1,0,0]=3 110 B11R0.81 CCCCCCC(O)CCCC 6821AL [0,2,0,0,0,0|1,0,0]=3 111 B11R0.40 CCCCCCCCC(=O)CC 6166AL [0,2,0,0,0,0|1,0,0]=3 112 B11R0.40 CCCCCCCCC(O)CO V2424 [0,2,0,0,0,0|0,0,0]=2 113 B11R0.40 OCCCCCCCC(O)CO 4416AL [0,2,0,0,0,0|0,0,0]=2 114 B11R0.46 CCCOCC(C)OCC(C)O 8537AJ [0,2,0,0,0,0|2,0,0]=4 115 B11R0.148 C=CCCCCCCCC(=O)O Z6188 [0,2,0,0,0,0|0,0,2]=4 116 B11R0.148 CCCCCCCCCC(C)N 3731AD [0,2,0,0,0,0|1,0,0]=3 117 B11R0.148 CCCCCCCCCC(C)O 5913AF [0,2,0,0,0,0|0,0,0]=2 118 B11R0.148 CCCCCCCCNC(N)=S 3781AD [0,2,0,0,0,0|0,1,1]=4 119 B11R0.148 CCCCCCC\C=C\B(O)O N975 [0,2,0,0,0,0|0,0,2]=4 120 B11R0.148 CCCCCCC\C=C\C(=O)O 4127AH [0,2,0,0,0,0|0,0,2]=4 121 B11R0.148 CCCCC\C=C\CCC(=O)O 6469AL [0,2,0,0,0,0|0,0,2]=4 122 B11R0.148 CCCCOCCOCC(=O)O 4029AL [0,2,0,0,0,0|1,0,1]=4 123 B11R0.148 CN(C)CCCCCCCCO 6904AL [0,2,0,0,0,0|0,0,0]=2 124 B11R0.148 O=C(O)CCCCCCCCBr Z4721 [0,2,0,0,0,0|0,0,1]=3 125 B11R0.159 CCCCCCCC[Si](Cl)(Cl)Cl 8939AJ [0,2,0,0,0,0|1,1,0]=4 126 B11R0.3 C#CCCCCCCCCCO E596 [0,2,0,0,0,0|0,0,0]=2 127 B11R0.3 C=CCCCCCCCCC=C 4349AL [0,2,0,0,0,0|1,0,1]=4 128 B11R0.3 CCCCC#CCCCCCC 6768AL [0,2,0,0,0,0|1,0,0]=3 129 B11R0.3 CCCCCCCCCCC#N 5901AF [0,2,0,0,0,0|1,0,0]=3 130 B11R0.3 CCCCCCCCNCCN 5469AB [0,2,0,0,0,0|1,0,0]=3 131 B11R0.3 CCCCCCCCOCCO 4872AH [0,2,0,0,0,0|0,0,0]=2 132 B11R0.3 CCOCCOCCOCCO 9283AL [0,2,0,0,0,0|1,0,0]=3 133 B9R1.8 BrCCC1CCOCC1 6395AB [1,0,0,1,0,0|2,0,0]=4 134 B9R1.8 BrCCN1CCCCC1 4892AC [1,0,0,1,0,0|2,0,0]=4 135 B9R1.8 C#CCC1CCCCC1 Y8015 [1,0,0,1,0,0|0,0,2]=4 136 B9R1.8 CCCN1CCNCC1 7434AD [1,0,0,1,0,0|2,0,0]=4 137 B9R1.8 CCNC1CCOCC1 0806AB [1,0,0,1,0,0|2,0,0]=4 138 B9R1.8 CCOC1CCCNC1 9686AC [1,0,0,1,0,0|2,0,0]=4 139 B9R1.8 CCOC1CCNCC1 Z7376 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.8 CNCC1CCCCC1 V3614 [1,0,0,1,0,0|1,0,0]=3 141 B9R1.8 CNCC1CCCCC1 V4720 [1,0,0,1,0,0|1,0,0]=3 142 B9R1.8 CNCC1CCCCO1 7421AH [1,0,0,1,0,0|1,0,0]=3 143 B9R1.8 CNCC1CCCCO1 8651AE [1,0,0,1,0,0|1,0,0]=3 144 B9R1.8 COCC1CCNCC1 V9116 [1,0,0,1,0,0|2,0,0]=4 145 B9R1.8 COCC1CCNCC1 Y6213 [1,0,0,1,0,0|2,0,0]=4 146 B9R1.8 N#CCC1CCCCC1 5033AH [1,0,0,1,0,0|1,0,1]=4 147 B9R1.8 NCCC1CCCCC1 Z4868 [1,0,0,1,0,0|1,0,0]=3 148 B9R1.8 NCCC1CCCCO1 1296AJ [1,0,0,1,0,0|1,0,0]=3 149 B9R1.8 NCCC1CCOCC1 V5672 [1,0,0,1,0,0|2,0,0]=4 150 B9R1.8 NCCC1CCOCC1 Z2422 [1,0,0,1,0,0|2,0,0]=4 151 B9R1.8 NNCC1CCCCC1 V5510 [1,0,0,1,0,0|2,0,0]=4 152 B9R1.8 OCCC1CCCNC1 V3701 [1,0,0,1,0,0|1,0,0]=3 153 B9R1.8 OCCC1CCNCC1 5112AC [1,0,0,1,0,0|1,0,0]=3 154 B9R1.8 OCCC1CNCCN1 4749AE [1,0,0,1,0,0|2,0,0]=4 155 B9R1.8 OCC[C@@H]1CCCCN1 W8464 [1,0,0,1,0,0|1,0,0]=3 156 B9R1.12 CCNCC1CCCO1 8649AE [1,0,0,1,0,0|1,0,0]=3 157 B9R1.12 NCCOC1CCCC1 5277AJ [1,0,0,1,0,0|2,0,0]=4 158 B9R1.12 O=CCCC1CCCC1 5333AH [1,0,0,1,0,0|0,0,2]=4 159 B9R1.15 CCN1CCNCC1C 9829AH [1,0,0,1,0,0|2,0,0]=4 160 B9R1.15 CN1CCCCC1CCl W5058 [1,0,0,1,0,0|2,0,0]=4 161 B9R1.33 CN1CCCC1CCCl P743 [1,0,0,1,0,0|2,0,0]=4 162 B9R1.50 OC1CCCCCCC1 7963AF [1,0,0,1,0,0|0,0,0]=2 163 B9R1.89 NCC1CCCCCC1 9307AA [1,0,0,1,0,0|1,0,0]=3 164 B9R1.89 ON=C1CCCCCC1 7507AL [1,0,0,1,0,0|1,0,1]=4 165 B11R1.16 CN(CCN)C1CCCCC1 2892AA [0,1,0,1,0,0|2,0,0]=4 166 B11R1.30 CCOC(=O)CC1CCCO1 9524AF [0,1,0,1,0,0|1,0,1]=4 167 B11R1.117 NCCC1CCCCCCC1 5035AH [0,1,0,1,0,0|1,0,0]=3 168 B11R1.117 S=C=NC1CCCCCCC1 0580AE [0,1,0,1,0,0|0,1,1]=4 169 B11R1.180 CCCCCC1CCCC1=O 6603AB [0,1,0,1,0,0|0,0,1]=3 170 B11R1.91 CN(C)CCC1CCCCN1 6577AE [0,1,0,1,0,0|2,0,0]=4 171 B11R1.91 O=C(O)CCC1CCNCC1 7073AB [0,1,0,1,0,0|1,0,1]=4 172 B11R1.91 O=C(O)CCC1CCNCC1 9555AA [0,1,0,1,0,0|1,0,1]=4 173 B11R1.143 CN1CCCCCC1C(=O)O 1648AL [0,1,0,1,0,0|1,0,1]=4 174 B11R1.742 O=C(O)CN1CCCCCC1 4967AE [0,1,0,1,0,0|1,0,1]=4 175 B11R1.17 CC1CCCCN1CCC#N 4193AD [0,1,0,1,0,0|1,0,1]=4 176 B11R1.28 BrCCCCC1CCCCC1 4295AH [0,1,0,1,0,0|1,0,0]=3 177 B11R1.28 BrCCCOC1CCCCO1 Y8779 [0,1,0,1,0,0|1,0,0]=3 178 B11R1.28 C#CCCOC1CCCCO1 5426AB [0,1,0,1,0,0|0,0,2]=4 179 B11R1.28 CCCCCN1CCNCC1 4520AE [0,1,0,1,0,0|2,0,0]=4 180 B11R1.28 N#CCCNC1CCCCC1 8411AE [0,1,0,1,0,0|1,0,1]=4 181 B11R1.28 OCCCCC1CCNCC1 V6728 [0,1,0,1,0,0|0,0,0]=2 182 B11R1.203 CCCCN1CCCNCC1 1637AE [0,1,0,1,0,0|2,0,0]=4 183 B11R1.203 NCCCN1CCCCCC1 V5320 [0,1,0,1,0,0|1,0,0]=3 184 B11R1.1 CCCCN1CCC(C)CC1 7744AC [0,1,0,1,0,0|2,0,0]=4 185 B11R1.1 CN1CCN(CCCO)CC1 0250AF [0,1,0,1,0,0|2,0,0]=4 186 B11R1.222 CCC(C)C1CCCCC1=O 7346AA [0,1,0,1,0,0|0,0,2]=4 187 B11R1.900 CCCCC1(O)CCCCC1 5330AE [0,1,0,1,0,0|1,0,0]=3 188 B11R1.900 CCCC[N+]1(C)CCCCC1 7665AJ [0,1,0,1,0,0|2,0,0]=4 189 B11R2.20 C1CCC2NCCNC2C1 3984AJ [0,0,0,2,0,0|2,0,0]=4 190 B11R2.20 C1CCN2CCNCC2C1 W6319 [0,0,0,2,0,0|2,0,0]=4 191 B11R2.20 C1CCN2COCCC2C1 6541AE [0,0,0,2,0,0|1,0,0]=3 192 B11R2.18 C1CNCC2CCCN2C1 8605AC [0,0,0,2,0,0|2,0,0]=4 193 B11R2.1261 C1CCC2(C1)CCNCC2 3754AJ [0,0,0,2,0,0|2,0,0]=4 194 B11R2.1261 C1CCC2(C1)CNCCN2 2977AL [0,0,0,2,0,0|2,0,0]=4 195 B11R2.1261 C1CCC2(CC1)NCCO2 0708AQ [0,0,0,2,0,0|1,0,0]=3 196 B11R2.1261 C1CCC2(CC1)OCCO2 5021AJ [0,0,0,2,0,0|1,0,0]=3 197 B11R2.1261 C1CNCC2(C1)OCCO2 5428AB [0,0,0,2,0,0|2,0,0]=4 198 B11R2.1261 C1COC2(C1)CCNCC2 W6002 [0,0,0,2,0,0|1,0,0]=3 199 B11R2.60 OC1CCC2C(O)CCC12 3662AB [0,0,0,2,0,0|1,0,0]=3