0 B10R0.3 CCCC(=O)SCCN(C)C DY584383 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.3 CCOC(=O)CCCC(=O)O DY461244 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.1 C=CC(=O)OCCC(=O)O DY822567 [1,0,0,0,0,0|1,0,2]=4 3 B9R0.2 C=CCCCCCC(=O)O DY741061 [1,0,0,0,0,0|0,0,3]=4 4 B9R0.2 CCCCCCCB(O)O DY454048 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.2 CCCCCCOC(=O)Cl NO11449 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.2 CNCCOCCC(=O)O DY739619 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.2 COCCCCCC(=O)O DY603806 [1,0,0,0,0,0|1,0,1]=3 8 B9R0.2 NCCCCCCC(=O)O NO10138 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.2 O=C(O)CCCCCCO NO10820 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.5 CCCCCC(=O)OCC DY822461 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.5 CCOC(=O)CCCCBr NO13726 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.5 CCOC(=O)CCCCN NO14354 [1,0,0,0,0,0|2,0,1]=4 13 B11R0.6 CC(C)CC(=O)NCCC(=O)O DY703141 [0,1,0,0,0,0|1,0,0]=2 14 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O DY437692 [0,1,0,0,0,0|1,0,0]=2 15 B11R0.141 [N-]=[N+]=CC(=O)CC[C@@H](N)C(=O)O DY436941 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.15 CCOC(=O)C1CCC(=O)N1 DY628917 [0,0,0,1,0,0|2,0,0]=3 17 B11R1.15 CCOC(=O)N1CCC(=O)C1 NO18745 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 NO15722 [0,0,0,1,0,0|2,0,0]=3 19 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 NO15604 [0,0,0,1,0,0|2,0,0]=3 20 B11R1.15 O=C1CC[C@@H](C(=O)OCCl)N1 DY701065 [0,0,0,1,0,0|3,0,0]=4 21 B11R1.90 O=C(O)CCN1CCSC1=O DY786376 [0,0,0,1,0,0|2,0,0]=3 22 B11R1.172 O=C(O)CCNC1CCCC1 DY585778 [0,0,0,1,0,0|2,0,1]=4 23 B11R1.201 CCOC(=O)C[C@H]1C[C@@H](O)C1 DY104870 [0,0,0,1,0,0|2,0,1]=4 24 B9R0.48 CCOC(=O)CCC(=O)O NO11693 [0,0,0,0,1,0|1,0,0]=2 25 B11R0.176 CCOC(=O)CCCCC(=O)O DY461226 [0,0,0,0,0,1|1,0,0]=2 26 B8R0.7 CCCCCCC(=O)O DY822462 [2,0,0,0,0,0|0,0,0]=2 27 B8R0.7 CCCCCC[C@H](C)O DY626179 [2,0,0,0,0,0|1,0,1]=4 28 B8R0.7 CSCCCCC(=O)O DY112374 [2,0,0,0,0,0|1,0,0]=3 29 B8R0.7 NCCCCCC(=O)O NO13381 [2,0,0,0,0,0|1,0,0]=3 30 B8R0.7 NCCOCCC(=O)O DY739157 [2,0,0,0,0,0|2,0,0]=4 31 B8R0.7 O=C(O)CCCCCBr NO18405 [2,0,0,0,0,0|1,0,0]=3 32 B8R0.28 CC(=O)CCCC(=O)O DY547923 [2,0,0,0,0,0|0,0,0]=2 33 B8R0.28 CC(=O)NCCC(=O)O DY584556 [2,0,0,0,0,0|1,0,0]=3 34 B8R0.28 CC(C)CCCC(=O)O DY564243 [2,0,0,0,0,0|1,0,1]=4 35 B8R0.28 CN(C)CCCC(=O)O NO18615 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.28 NC(=O)CCCC(=O)O DY604617 [2,0,0,0,0,0|1,0,0]=3 37 B8R0.28 NC(=O)CCCC(N)=O DY549807 [2,0,0,0,0,0|2,0,0]=4 38 B8R0.28 NC(=O)COCC(=O)O DY604478 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.1 C#CCCC(=O)CCC DY822712 [2,0,0,0,0,0|0,0,2]=4 40 B8R0.1 CCOC(=O)CCCCl DY822383 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.1 CCOC(=O)CCCO DY111642 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.1 CNCC(=O)NCCO DY741259 [2,0,0,0,0,0|2,0,0]=4 43 B10R0.44 COC(=O)CC(C)CC(=O)O NO18924 [1,1,0,0,0,0|1,0,0]=3 44 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O DY437674 [1,1,0,0,0,0|1,0,0]=3 45 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O DY437656 [1,1,0,0,0,0|2,0,0]=4 46 B10R0.82 COC(=O)CC[C@H](N)C(=O)O DY700795 [1,1,0,0,0,0|1,0,0]=3 47 B10R0.82 COC(=O)CC[C@H](N)C(=O)O NO22254 [1,1,0,0,0,0|1,0,0]=3 48 B10R0.4 CCCCCCCCC(=O)[O-] DY740629 [1,1,0,0,0,0|0,0,2]=4 49 B10R0.4 NCCOCCOCC(=O)O NO12154 [1,1,0,0,0,0|2,0,0]=4 50 B10R0.74 CCCCCCCC(=O)NO NO11097 [1,1,0,0,0,0|0,0,1]=3 51 B10R0.74 COC(=O)CCCCCCN NO14288 [1,1,0,0,0,0|1,0,1]=4 52 B10R0.74 COC(=O)CCCCCCO DY524613 [1,1,0,0,0,0|1,0,1]=4 53 B10R0.75 CSCCCC[C@H](N)C(=O)O DY628317 [1,1,0,0,0,0|1,0,1]=4 54 B10R0.91 CCCCCC(=O)OCCC DY564117 [1,1,0,0,0,0|1,0,1]=4 55 B10R0.108 CCCC(=O)OCC(O)CO DY822776 [1,1,0,0,0,0|1,0,1]=4 56 B10R0.26 C=C(CC(=O)OCC)C(=O)O DY561429 [0,1,0,0,1,0|1,0,1]=4 57 B10R0.26 CCCC(=O)OC(C)C(C)=O DY822611 [0,1,0,0,1,0|2,0,0]=4 58 B12R0.140 CC(C)(C)OC(=O)NCCC(=O)O NO14153 [0,2,0,0,0,0|2,0,0]=4 59 B12R0.285 CCOC(=O)CSCC(=O)OCC DY580341 [0,2,0,0,0,0|2,0,0]=4 60 B10R1.13 CC1=CCC(C(=O)O)CC1 DY460152 [1,0,0,1,0,0|1,0,1]=4 61 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 NO14216 [1,0,0,1,0,0|1,0,1]=4 62 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 NO12037 [1,0,0,1,0,0|1,0,1]=4 63 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 NO14217 [1,0,0,1,0,0|1,0,1]=4 64 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 DY428316 [1,0,0,1,0,0|0,0,2]=4 65 B10R1.14 COC(=O)C1CCC(=O)N1 NO15487 [1,0,0,1,0,0|2,0,0]=4 66 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 DY104918 [1,0,0,1,0,0|2,0,0]=4 67 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 NO14546 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 DY625891 [1,0,0,1,0,0|2,0,0]=4 69 B10R1.54 O=C(O)CN1CCC(=O)C1 DY666191 [1,0,0,1,0,0|1,0,0]=3 70 B10R1.54 O=C(O)C[C@H]1CNC(=O)C1 DY585996 [1,0,0,1,0,0|1,0,0]=3 71 B10R1.150 COC(=O)CC1CC(=O)C1 NO15796 [1,0,0,1,0,0|2,0,0]=4 72 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O DY558645 [1,0,0,1,0,0|1,0,0]=3 73 B10R1.18 O=C(O)CC1CCCCC1 NO10565 [1,0,0,1,0,0|0,0,1]=3 74 B10R1.18 O=C(O)CC1CCCNC1 NO15743 [1,0,0,1,0,0|1,0,0]=3 75 B10R1.18 O=C(O)CC1CCNCC1 NO10136 [1,0,0,1,0,0|1,0,1]=4 76 B10R1.18 O=C(O)CC1CCOCC1 NO19613 [1,0,0,1,0,0|1,0,1]=4 77 B10R1.18 O=C(O)CC1CCSCC1 DY520275 [1,0,0,1,0,0|1,0,1]=4 78 B10R1.18 O=C(O)CC1COCCN1 NO14263 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.39 CO[C@H]1CCC[C@H]1C(=O)O DY585339 [1,0,0,1,0,0|1,0,1]=4 80 B10R1.61 CN1CCCCC1C(=O)O DY20434 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.61 CN1CCCC[C@H]1C(=O)O DY553905 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O DY561195 [1,0,0,1,0,0|1,0,1]=4 83 B10R1.61 O=C(O)C1CCCCC1O NO21597 [1,0,0,1,0,0|1,0,1]=4 84 B10R1.61 O=C(O)[C@@H]1CCNC[C@H]1O DY643574 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.66 O=C(Cl)CCC1CCCC1 DY20931 [1,0,0,1,0,0|1,0,1]=4 86 B10R1.66 O=C(O)COC1CCCC1 DY582819 [1,0,0,1,0,0|1,0,1]=4 87 B10R1.348 O=C(O)C1CCCCCN1 DY558291 [1,0,0,1,0,0|1,0,1]=4 88 B10R1.348 O=C(O)[C@H]1CCOCCN1 DY770739 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.25 CC1=CC(C)C(C=O)CC1 DY822722 [1,0,0,1,0,0|1,0,1]=4 90 B10R1.406 CC1CC(=O)N1CCCO DY719800 [1,0,0,1,0,0|1,0,1]=4 91 B10R1.93 CCCC1CC(C(=O)O)C1 DY585465 [0,0,0,1,1,0|1,0,1]=4 92 B10R1.113 NC1CCCC(C(=O)O)C1 NO19619 [0,0,0,1,1,0|1,0,1]=4 93 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 NO14264 [0,0,0,1,1,0|1,0,1]=4 94 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 NO17221 [0,0,0,1,1,0|1,0,1]=4 95 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 NO17237 [0,0,0,1,1,0|1,0,1]=4 96 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 DY540669 [0,0,0,1,1,0|0,0,2]=4 97 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 DY113049 [0,0,0,1,1,0|1,0,0]=3 98 B10R1.140 CCOC(=O)C1CC(=O)C1 NO15362 [0,0,0,1,1,0|2,0,0]=4 99 B12R1.17 CCOC(=O)C1CC(=O)CCO1 NO16006 [0,0,0,1,0,1|2,0,0]=4 100 B12R1.17 CCOC(=O)C1CCCC(=O)C1 NO11355 [0,0,0,1,0,1|2,0,0]=4 101 B12R1.255 O=C(O)CCCNC1=NCCC1 DY612456 [0,0,0,1,0,1|1,0,0]=3 102 B12R1.252 O=C(O)CCCC1CCNCC1 DY574017 [0,1,0,1,0,0|1,0,1]=4 103 B12R1.16 CCOC(=O)C1CCC(=O)CC1 NO10922 [0,1,0,1,0,0|2,0,0]=4 104 B12R1.895 CC1=NNC(=O)C1CCC(=O)O DY542415 [0,1,0,1,0,0|1,0,1]=4 105 B12R1.353 COC(=O)CCN1CCCC1=O DY667976 [0,1,0,1,0,0|1,0,0]=3 106 B12R2.1017 O=C(O)C1CC2CC1CC2O DY545865 [0,0,0,2,0,0|0,0,2]=4 107 B12R2.1661 O=C(O)CC1CC2CCC1C2 DY501002 [0,0,0,2,0,0|1,0,1]=4 108 B12R2.1387 O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2 DY539019 [0,0,0,2,0,0|1,0,1]=4 109 B8R0.9 COC(=O)CCC(=O)O NO11694 [1,0,0,0,1,0|1,0,0]=3 110 B8R0.9 NCC(=O)CCC(=O)O DY34214 [1,0,0,0,1,0|1,0,0]=3 111 B8R0.9 NCC(=O)CCC(=O)O NO10222 [1,0,0,0,1,0|1,0,0]=3 112 B8R0.5 CCOC(=O)CC(N)=O NO18301 [0,0,0,0,2,0|2,0,0]=4