0 B9R1.7 CCC[C@H]1COC(=O)C1 DY426027 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.7 NCCC1CCC(=O)N1 DY667478 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.12 CCCCC1=NN=CO1 DY788589 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.12 CCCCC1C=CC=C1 DY114482 [1,0,0,0,0,0|1,0,2]=4 4 B9R1.12 CCCOC1CCNC1 DY585375 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.12 CCNCC1CCCN1 DY717255 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.12 COCCC1CCCN1 DY580917 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.12 NCCCC1CCCC1 DY562863 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.12 OCCCC1OCCO1 DY759266 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.15 CCOC(=O)C1CCC(=O)N1 DY628917 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 NO15722 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 NO15604 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.27 CCCCCC1OCC(C)O1 DY759284 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.27 C\C=C\OCC1COC(=O)O1 DY759308 [0,1,0,0,0,0|1,0,2]=4 14 B9R0.2 C=CCCCCCC(=O)O DY741061 [0,0,1,0,0,0|0,0,2]=3 15 B9R0.2 CCCCCCCB(O)O DY454048 [0,0,1,0,0,0|1,0,1]=3 16 B9R0.2 CCCCCCOC(=O)Cl NO11449 [0,0,1,0,0,0|2,0,0]=3 17 B9R0.2 CNCCOCCC(=O)O DY739619 [0,0,1,0,0,0|2,0,0]=3 18 B9R0.2 COCCCCCC(=O)O DY603806 [0,0,1,0,0,0|1,0,0]=2 19 B9R0.2 NCCCCCCC(=O)O NO10138 [0,0,1,0,0,0|1,0,0]=2 20 B9R0.2 O=C(O)CCCCCCO NO10820 [0,0,1,0,0,0|1,0,0]=2 21 B9R0.18 CCCCC(N)CCCC DY428161 [0,0,1,0,0,0|2,0,1]=4 22 B9R0.46 COC(=O)CCCCCBr DY523155 [0,0,1,0,0,0|3,0,0]=4 23 B9R0.46 COC(=O)CCCCCN NO11662 [0,0,1,0,0,0|3,0,0]=4 24 B9R0.46 COCCCNC(=O)CN DY741265 [0,0,1,0,0,0|3,0,0]=4 25 B11R2.1 O=C1CNC2=C1CCCC2 DY728449 [0,0,0,1,0,0|2,0,1]=4 26 B11R2.1 O=C1NC[C@@H]2CCNC[C@H]12 DY101947 [0,0,0,1,0,0|3,0,0]=4 27 B11R2.1 O=C1OC[C@@H]2CNCCN12 DY586655 [0,0,0,1,0,0|3,0,0]=4 28 B11R2.10 O=C1N[C@H]2CNCC[C@H]2O1 DY611151 [0,0,0,1,0,0|2,0,0]=3 29 B11R2.67 O=C1CCC2CCC(=O)N12 DY534303 [0,0,0,1,0,0|2,0,1]=4 30 B8R0.4 C=CCCCCCCO DY740623 [1,0,1,0,0,0|2,0,0]=4 31 B8R0.4 CCCCCCCCN DY506682 [1,0,1,0,0,0|1,0,1]=4 32 B8R0.4 CCCCCCCCS DY741379 [1,0,1,0,0,0|0,1,1]=4 33 B8R0.4 OCCCCCCCBr NO13415 [1,0,1,0,0,0|1,0,1]=4 34 B8R0.4 OCCCCCCCF DY822294 [1,0,1,0,0,0|1,0,1]=4 35 B8R0.7 CCCCCCC(=O)O DY822462 [1,0,1,0,0,0|0,0,0]=2 36 B8R0.7 CCCCCC[C@H](C)O DY626179 [1,0,1,0,0,0|1,0,1]=4 37 B8R0.7 CCOCCOC(=O)Cl DY797049 [1,0,1,0,0,0|2,0,0]=4 38 B8R0.7 CSCCCCC(=O)O DY112374 [1,0,1,0,0,0|1,0,0]=3 39 B8R0.7 NCCCCCC(=O)O NO13381 [1,0,1,0,0,0|1,0,0]=3 40 B8R0.7 NCCOCCC(=O)O DY739157 [1,0,1,0,0,0|2,0,0]=4 41 B8R0.7 O=C(O)CCCCCBr NO18405 [1,0,1,0,0,0|1,0,0]=3 42 B8R0.5 COCC(C)OC(C)=O DY822378 [1,0,1,0,0,0|1,0,0]=3 43 B8R0.6 CCCCNC(=O)CCl NO11766 [1,0,1,0,0,0|2,0,0]=4 44 B8R1.1 CCC1COC(=O)N1 DY607707 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.1 NCC1CNC(=O)O1 DY529719 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.1 O=C1CCC(CO)N1 DY564003 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.1 O=C1NC[C@@H](CO)O1 DY583311 [2,0,0,0,0,0|2,0,0]=4 50 B10R0.3 CCOC(=O)CCCC(=O)O DY461244 [0,1,1,0,0,0|1,0,1]=4 51 B10R0.4 CCCCCCCCC(=O)[O-] DY740629 [0,1,1,0,0,0|0,0,1]=3 52 B10R0.4 NCCOCCOCC(=O)O NO12154 [0,1,1,0,0,0|2,0,0]=4 53 B10R0.22 O=P(O)(O)CCCCCCBr DY518139 [0,1,1,0,0,0|2,0,0]=4 54 B10R0.55 COC(=O)CCCCC(=O)O NO19614 [0,1,1,0,0,0|1,0,1]=4 55 B10R0.74 CCCCCCCC(=O)NO NO11097 [0,1,1,0,0,0|0,0,0]=2 56 B10R0.74 COC(=O)CCCCCCN NO14288 [0,1,1,0,0,0|1,0,0]=3 57 B10R0.74 COC(=O)CCCCCCO DY524613 [0,1,1,0,0,0|1,0,0]=3 58 B10R0.75 C=CCCCC[C@H](N)C(=O)O DY703693 [0,1,1,0,0,0|0,0,2]=4 59 B10R0.75 CSCCCC[C@H](N)C(=O)O DY628317 [0,1,1,0,0,0|1,0,0]=3 60 B10R0.75 N[C@@H](CSCCCO)C(=O)O DY517613 [0,1,1,0,0,0|2,0,0]=4 61 B10R0.97 O=C(O)CCCCCC(=O)O NO19817 [0,1,1,0,0,0|1,0,1]=4 62 B10R0.91 CCCCCC(O)\C=C\C=O DY570585 [0,1,1,0,0,0|0,0,2]=4 63 B10R0.1 CCOC(=O)CCCCCBr DY544671 [0,1,1,0,0,0|2,0,0]=4 64 B10R1.54 CC(C)C[C@H]1CCC(=O)N1 DY513969 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.95 CCCC1COS(=O)(=O)O1 DY822772 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.130 CCO[C@H]1OC(=O)C[C@@H]1N DY621266 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.21 CCCCNC1CCCC1 DY610739 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.21 CNCCCC1CCCC1 DY602949 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.66 CC(C)CCC1CCNC1 DY667219 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.406 CC1CC(=O)N1CCCO DY719800 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.18 CC(=O)CC1CCNCC1 DY585280 [0,0,1,1,0,0|2,0,0]=4 72 B10R1.18 O=C(O)CC1=CCCCC1 DY534213 [0,0,1,1,0,0|0,0,2]=4 73 B10R1.18 O=C(O)CC1CCCCC1 NO10565 [0,0,1,1,0,0|0,0,0]=2 74 B10R1.18 O=C(O)CC1CCCNC1 NO15743 [0,0,1,1,0,0|1,0,0]=3 75 B10R1.18 O=C(O)CC1CCNCC1 NO10136 [0,0,1,1,0,0|1,0,0]=3 76 B10R1.18 O=C(O)CC1CCOCC1 NO19613 [0,0,1,1,0,0|1,0,0]=3 77 B10R1.18 O=C(O)CC1CCSCC1 DY520275 [0,0,1,1,0,0|1,0,0]=3 78 B10R1.18 O=C(O)CC1COCCN1 NO14263 [0,0,1,1,0,0|2,0,0]=4 79 B10R1.39 CO[C@H]1CCC[C@H]1C(=O)O DY585339 [0,0,1,1,0,0|1,0,0]=3 80 B10R1.61 CC(=O)C1CCCCN1C DY559923 [0,0,1,1,0,0|2,0,0]=4 81 B10R1.61 CN1CCCCC1C(=O)O DY20434 [0,0,1,1,0,0|1,0,0]=3 82 B10R1.61 CN1CCCC[C@H]1C(=O)O DY553905 [0,0,1,1,0,0|1,0,0]=3 83 B10R1.61 CN1CCOC[C@H]1C(=O)O DY625375 [0,0,1,1,0,0|2,0,0]=4 84 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O DY620533 [0,0,1,1,0,0|2,0,0]=4 85 B10R1.61 O=C(O)C1CCCCC1O NO21597 [0,0,1,1,0,0|1,0,0]=3 86 B10R1.61 O=C(O)C1CCCCN1O DY542475 [0,0,1,1,0,0|2,0,0]=4 87 B10R1.61 O=C(O)C1NCCCC1O DY637382 [0,0,1,1,0,0|2,0,0]=4 88 B10R1.61 O=C(O)[C@@H]1CCNC[C@H]1O DY643574 [0,0,1,1,0,0|2,0,0]=4 89 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O DY620786 [0,0,1,1,0,0|2,0,0]=4 90 B10R1.348 O=C(O)C1CCCCCN1 DY558291 [0,0,1,1,0,0|1,0,0]=3 91 B10R1.348 O=C(O)[C@H]1CCOCCN1 DY770739 [0,0,1,1,0,0|2,0,0]=4 92 B10R1.8 CCN1CC(=O)O[C@@H](C)C1 DY625357 [0,0,1,1,0,0|1,0,0]=3 93 B10R1.17 C=CCCC1CCCCC1 DY585613 [0,0,1,1,0,0|2,0,0]=4 94 B10R1.15 CCC(=O)N1CCSCC1 DY518595 [0,0,1,1,0,0|2,0,0]=4 95 B10R1.15 COC(=O)C1CCCCC1 NO22810 [0,0,1,1,0,0|2,0,0]=4 96 B10R2.2 O=C1C[C@@H]2C=CC[C@@H]2O1 DY459558 [1,0,0,1,0,0|0,0,2]=4 97 B10R2.2 O=C1C[C@H]2C=CC[C@H]2O1 DY684928 [1,0,0,1,0,0|0,0,2]=4 98 B10R2.14 O=C1CC[C@@H](C2CC2)N1 DY586260 [1,0,0,1,0,0|1,0,0]=3 99 B10R2.32 O=C1CCC2CNCC12 DY686041 [1,0,0,1,0,0|2,0,0]=4 100 B10R2.332 O=C1CCC2(CNC2)N1 DY529329 [1,0,0,1,0,0|2,0,0]=4 101 B10R2.7 C1CC2OCCC2CN1 DY686167 [1,0,0,1,0,0|1,0,1]=4 102 B10R2.193 C1CC(CC2CC2)CN1 DY772083 [1,0,0,1,0,0|2,0,0]=4 103 B10R2.483 C1CCC2(C1)CCNC2 DY526539 [1,0,0,1,0,0|2,0,0]=4 104 B10R2.316 O=C1CC2(CCNC2)N1 DY585628 [0,0,0,1,1,0|2,0,0]=4 105 B10R2.320 O=C1NC2CCCCC12 DY685758 [0,0,0,1,1,0|1,0,0]=3 106 B10R2.320 O=C1N[C@@H]2CCCC[C@H]12 DY741919 [0,0,0,1,1,0|1,0,0]=3 107 B12R2.24 O=C1CNC2CCCCC2N1 DY686179 [0,0,0,1,0,1|2,0,0]=4 108 B12R2.294 O=C1CCN(CC2CC2)CC1 DY556743 [0,0,0,1,0,1|2,0,0]=4 109 B12R2.1175 O=C1CCC2(CCCO2)CC1 DY576267 [0,0,0,1,0,1|2,0,0]=4 110 B12R2.2302 O=C1CCN(C2CCC2)CC1 DY585433 [0,0,0,1,0,1|2,0,0]=4 111 B12R2.1081 O=C1CCCC2CNCCN12 DY686029 [0,0,0,1,0,1|2,0,0]=4 112 B12R2.1081 O=C1CNCC2CCCCN12 DY506112 [0,0,0,1,0,1|1,0,0]=3 113 B12R2.5121 O=C1CCNC2(CCCC2)C1 DY585756 [0,0,0,1,0,1|1,0,0]=3 114 B12R2.5121 O=C1CCOC2(CCCC2)C1 DY574953 [0,0,0,1,0,1|1,0,0]=3 115 B12R2.375 CO[C@H]1OC[C@@H]2OC(=O)C[C@H]12 DY459270 [0,1,0,1,0,0|1,0,0]=3 116 B12R2.2918 O=C1CC2(CCNCC2)CN1 NO14933 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.2918 O=C1CCC2(CCNCC2)N1 DY607635 [0,1,0,1,0,0|1,0,0]=3 118 B12R2.2918 O=C1CCC2(CCNCC2)O1 NO12147 [0,1,0,1,0,0|0,0,0]=2 119 B12R2.2918 O=C1COC2(CCNCC2)C1 NO17226 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.2918 O=C1NCC2(CCNCC2)N1 NO17822 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.1145 O=C(O)C1CC2CC1C(=O)O2 DY502911 [0,1,0,1,0,0|1,0,1]=4 122 B8R0.8 CCCC[C@H](C)C(=O)O DY585471 [0,0,1,0,1,0|1,0,0]=3 123 B8R1.6 CCCC1CC(=O)C1 DY561087 [1,0,0,0,1,0|1,0,0]=3 124 B12R1.321 CCCCC1CCCCC(=O)N1 DY743257 [0,0,0,0,0,2|1,0,0]=3