0 B9R0.2 CCCCCCCC(=O)[O-] BC213313 [0,0,0,0,0,0|0,0,1]=1 1 B8R0.4 C(CNCCCO)CO BC220973 [1,0,0,0,0,0|2,0,1]=4 2 B8R0.7 C(CCC(=O)O)CCBr BC206267 [1,0,0,0,0,0|1,0,0]=2 3 B8R0.7 C(CCC(=O)O)CCN BC204341 [1,0,0,0,0,0|1,0,0]=2 4 B10R0.4 C(CCCC(=O)O)CCCO BC600063 [0,1,0,0,0,0|0,0,0]=1 5 B10R0.75 C(CO)CSC[C@@H](C(=O)O)N BC215949 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.18 C1CC(CNC1)CC(=O)O BC211582 [0,0,0,1,0,0|1,0,0]=2 7 B10R1.18 C1CC(C[NH2+]C1)CC(=O)O BC223508 [0,0,0,1,0,0|1,0,0]=2 8 B10R1.18 C1CCC(CC1)CC(=O)O BC216390 [0,0,0,1,0,0|0,0,0]=1 9 B10R1.18 C1CCC(CC1)OC(=O)Cl BC215606 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.18 C1CCNC(C1)CC(=O)O BC211585 [0,0,0,1,0,0|1,0,0]=2 11 B10R1.18 C1COCCC1CC(=O)O BC677407 [0,0,0,1,0,0|1,0,0]=2 12 B10R1.18 C1COCCN1CC(=O)O BC208067 [0,0,0,1,0,0|2,0,0]=3 13 B10R1.39 COC1CNCC1C(=O)O BC204828 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.61 CN1CCNCC1C(=O)O BC600173 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.66 CC(=O)OCC1CCCO1 BC218748 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.348 C1CCC(NCC1)C(=O)O BC677014 [0,0,0,1,0,0|1,0,0]=2 17 B7R0.1 C(CCCCl)CCO BC209640 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.1 C(CN)CNCCO BC219712 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.1 CCCCOCCO BC675581 [2,0,0,0,0,0|1,0,0]=3 20 B7R0.4 C(CCBr)CC(=O)Cl BC681280 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.4 C(CCBr)CC(=O)O BC220689 [2,0,0,0,0,0|1,0,0]=3 22 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [2,0,0,0,0,0|1,0,1]=4 23 B9R0.45 C(CCCCCl)CCCO BC219789 [1,1,0,0,0,0|0,0,1]=3 24 B9R0.45 C(CCCCO)CCCO BC200248 [1,1,0,0,0,0|0,0,1]=3 25 B9R0.47 C(CC=O)C[C@@H](C(=O)O)N BC205410 [1,1,0,0,0,0|1,0,1]=4 26 B9R0.47 C(CCN)C[C@@H](C(=O)O)N BC677886 [1,1,0,0,0,0|1,0,0]=3 27 B9R0.47 C(CCO)C[C@@H](C(=O)O)N BC676968 [1,1,0,0,0,0|1,0,0]=3 28 B11R0.148 C(CCCCO)CCCC(=O)O BC600070 [0,2,0,0,0,0|0,0,0]=2 29 B11R0.4 CCOC(=O)CCCCCCN BC226724 [0,2,0,0,0,0|1,0,0]=3 30 B9R1.8 C1CC(CNC1)CCO BC223505 [1,0,0,1,0,0|1,0,1]=4 31 B9R1.8 C1CCC(CC1)CC#N BC219607 [1,0,0,1,0,0|1,0,1]=4 32 B9R1.8 C1CCN(CC1)CCO BC219310 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.8 C1CCNC(C1)CCO BC219291 [1,0,0,1,0,0|1,0,1]=4 34 B9R1.8 C1CNCCC1CCO BC204609 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.12 C1CCN(C1)CCCO BC211356 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.15 CN1CCCCC1CO BC678877 [1,0,0,1,0,0|1,0,1]=4 37 B9R1.50 C1CCCC(=O)CCC1 BC226157 [1,0,0,1,0,0|0,0,0]=2 38 B9R1.50 C1CCCNC(=O)CC1 BC677015 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.83 CCCCOCC1CO1 BC202676 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.6 C1CC(CC=C1)C(=O)O BC646428 [1,0,0,1,0,0|0,0,2]=4 41 B9R1.6 C1CCC(=CC1)C(=O)O BC215574 [1,0,0,1,0,0|0,0,2]=4 42 B9R1.6 C1CCC(CC1)C(=O)Cl BC213497 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.6 C1CCNC(C1)C(=O)O BC200281 [1,0,0,1,0,0|1,0,0]=3 44 B9R1.6 C1CCNC(C1)C(=O)O BC226798 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.6 C1CCN[C@H](C1)C(=O)O BC208985 [1,0,0,1,0,0|1,0,0]=3 46 B9R1.6 C1CNC(CN1)C(=O)O BC200169 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.6 C1CNCCC1C(=O)N BC220411 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.6 C1CNCCC1C(=O)O BC200847 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.6 C1CNCCC1C(=O)O BC202249 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.6 C1CN[C@@H](CN1)C(=O)O BC204205 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.6 C1CN[C@@H](CN1)C(=O)O BC204999 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.6 C1COC(CN1)C(=O)O BC204770 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.6 C1COCC(N1)C(=O)O BC217600 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.6 C1COCCC1C(=O)Cl BC222341 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.6 C1COCCC1C(=O)O BC202214 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.6 C1COC[C@H](N1)C(=O)O BC222631 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.6 C1C[C@@H](CNC1)C(=O)O BC213392 [1,0,0,1,0,0|1,0,0]=3 58 B9R1.6 C1C[C@@H](CNC1)C(=O)O BC667219 [1,0,0,1,0,0|1,0,0]=3 59 B9R1.6 CC(=O)C1CCCCN1 BC223321 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.6 CC(=O)C1CCOCC1 BC260535 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.6 CC(=O)N1CCCCC1 BC209956 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.7 CCOC1CCC(=O)N1 BC206926 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.13 C1CCC(C1)OC(=O)Cl BC680230 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.13 C1CNC[C@@H]1CC(=O)O BC241278 [1,0,0,1,0,0|1,0,0]=3 65 B9R1.13 C1CNC[C@H]1CC(=O)O BC202154 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.13 C1CSSC1CC(=O)O BC211846 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O BC210183 [1,0,0,1,0,0|1,0,0]=3 68 B11R1.172 C1CCN(C1)CCCC(=O)O BC657107 [0,1,0,1,0,0|0,0,0]=2 69 B11R1.91 C1CC(CNC1)CCC(=O)O BC204400 [0,1,0,1,0,0|0,0,0]=2 70 B11R1.91 C1CCC(CC1)CCC(=O)O BC213508 [0,1,0,1,0,0|0,0,0]=2 71 B11R1.91 C1CCNC(C1)CCC(=O)O BC223407 [0,1,0,1,0,0|0,0,0]=2 72 B11R1.20 CN1CCN(CC1)CC(=O)O BC203838 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.25 COC(=O)CNC1CCCC1 BC600060 [0,1,0,1,0,0|1,0,0]=3 74 B11R1.40 COC(=O)CC1CCNCC1 BC223719 [0,1,0,1,0,0|1,0,0]=3 75 B11R1.40 COC(=O)CC1CCNCC1 BC653115 [0,1,0,1,0,0|1,0,0]=3 76 B11R1.40 COC(=O)C[C@@H]1CCCNC1 BC226520 [0,1,0,1,0,0|1,0,0]=3 77 B11R1.40 COC(=O)C[C@H]1CCCNC1 BC226521 [0,1,0,1,0,0|1,0,0]=3 78 B11R1.852 COC(=O)C1CNCCCN1 BC216392 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.35 C1CCC(C1)C[C@@H](C(=O)O)N BC205880 [0,1,0,1,0,0|0,0,0]=2 80 B11R1.35 C1CCC(C1)C[C@H](C(=O)O)N BC679177 [0,1,0,1,0,0|0,0,0]=2 81 B11R1.36 C1CCC(CC1)[C@@H](C(=O)O)N BC200217 [0,1,0,1,0,0|0,0,0]=2 82 B11R1.36 C1COCCC1[C@@H](C(=O)O)N BC677409 [0,1,0,1,0,0|1,0,0]=3 83 B11R2.352 C1CC(C1)C2CC(=O)NC2 BC636876 [0,0,0,2,0,0|2,0,0]=4 84 B11R2.845 C1C2CC(C1C=C2)C(=O)O BC253304 [0,0,0,2,0,0|0,0,2]=4 85 B11R2.432 CN1C2CCC1CC(=O)C2 BC208650 [0,0,0,2,0,0|2,0,0]=4