0 B10R1.18 C1CC(CNC1)CC(=O)O BC211582 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.18 C1CC(C[NH2+]C1)CC(=O)O BC223508 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 C1CCC(CC1)CC(=O)O BC216390 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.18 C1CCC(CC1)OC(=O)Cl BC215606 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 C1CCNC(C1)CC(=O)O BC211585 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.18 C1COCCC1CC(=O)O BC677407 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.18 C1COCCN1CC(=O)O BC208067 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.8 C1CC(CNC1)CCO BC223505 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.8 C1CCC(CC1)CC#N BC219607 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.8 C1CCN(CC1)CCCl BC219308 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 C1CCN(CC1)CCCl BC219309 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 C1CCN(CC1)CCO BC219310 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.8 C1CCNC(C1)CCO BC219291 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.8 C1CN(CCN1)CCO BC202684 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 C1CNC(CN1)CCO BC223429 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 C1CNCCC1CCO BC204609 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.8 C1COCCC1CCN BC684470 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 C1COCCN1CCO BC219710 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.20 CC(=O)NC1CCC(=O)CC1 BC219334 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.20 CN1CCN(CC1)CC(=O)O BC203838 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.36 C1CCC(CC1)[C@@H](C(=O)O)N BC200217 [0,1,0,0,0,0|0,0,0]=1 21 B11R1.36 C1COCCC1[C@@H](C(=O)O)N BC677409 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.40 COC(=O)CC1CCNCC1 BC223719 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.40 COC(=O)CC1CCNCC1 BC653115 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.40 COC(=O)C[C@@H]1CCCNC1 BC226520 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.40 COC(=O)C[C@H]1CCCNC1 BC226521 [0,1,0,0,0,0|1,0,0]=2 26 B9R0.2 CCCCCCCC(=O)[O-] BC213313 [0,0,1,0,0,0|0,0,1]=2 27 B9R1.6 C1CC(CC=C1)C(=O)O BC646428 [0,0,0,0,1,0|0,0,2]=3 28 B9R1.6 C1CCC(=CC1)C(=O)O BC215574 [0,0,0,0,1,0|0,0,2]=3 29 B9R1.6 C1CCC(CC1)C(=O)Cl BC213497 [0,0,0,0,1,0|1,0,0]=2 30 B9R1.6 C1CCNC(C1)C(=O)O BC200281 [0,0,0,0,1,0|1,0,0]=2 31 B9R1.6 C1CCNC(C1)C(=O)O BC226798 [0,0,0,0,1,0|1,0,0]=2 32 B9R1.6 C1CCN[C@H](C1)C(=O)O BC208985 [0,0,0,0,1,0|1,0,0]=2 33 B9R1.6 C1CNC(CN1)C(=O)O BC200169 [0,0,0,0,1,0|2,0,0]=3 34 B9R1.6 C1CNCCC1C(=O)N BC220411 [0,0,0,0,1,0|2,0,0]=3 35 B9R1.6 C1CNCCC1C(=O)O BC200847 [0,0,0,0,1,0|1,0,0]=2 36 B9R1.6 C1CNCCC1C(=O)O BC202249 [0,0,0,0,1,0|1,0,0]=2 37 B9R1.6 C1CN[C@@H](CN1)C(=O)O BC204205 [0,0,0,0,1,0|2,0,0]=3 38 B9R1.6 C1CN[C@@H](CN1)C(=O)O BC204999 [0,0,0,0,1,0|2,0,0]=3 39 B9R1.6 C1COC(CN1)C(=O)O BC204770 [0,0,0,0,1,0|2,0,0]=3 40 B9R1.6 C1COCC(N1)C(=O)O BC217600 [0,0,0,0,1,0|2,0,0]=3 41 B9R1.6 C1COCCC1C(=O)Cl BC222341 [0,0,0,0,1,0|2,0,0]=3 42 B9R1.6 C1COCCC1C(=O)O BC202214 [0,0,0,0,1,0|1,0,0]=2 43 B9R1.6 C1COC[C@H](N1)C(=O)O BC222631 [0,0,0,0,1,0|2,0,0]=3 44 B9R1.6 C1C[C@@H](CNC1)C(=O)O BC213392 [0,0,0,0,1,0|1,0,0]=2 45 B9R1.6 C1C[C@@H](CNC1)C(=O)O BC667219 [0,0,0,0,1,0|1,0,0]=2 46 B9R1.6 CC(=O)C1CCCCN1 BC223321 [0,0,0,0,1,0|2,0,0]=3 47 B9R1.6 CC(=O)C1CCOCC1 BC260535 [0,0,0,0,1,0|2,0,0]=3 48 B9R1.6 CC(=O)N1CCCCC1 BC209956 [0,0,0,0,1,0|2,0,0]=3 49 B9R1.13 C1CCC(C1)OC(=O)Cl BC680230 [0,0,0,0,1,0|2,0,0]=3 50 B9R1.13 C1CNC[C@@H]1CC(=O)O BC241278 [0,0,0,0,1,0|1,0,0]=2 51 B9R1.13 C1CNC[C@H]1CC(=O)O BC202154 [0,0,0,0,1,0|1,0,0]=2 52 B9R1.13 C1CSSC1CC(=O)O BC211846 [0,0,0,0,1,0|2,0,0]=3 53 B11R1.91 C1CC(CNC1)CCC(=O)O BC204400 [0,0,0,0,0,1|1,0,0]=2 54 B11R1.91 C1CCC(CC1)CCC(=O)O BC213508 [0,0,0,0,0,1|0,0,0]=1 55 B11R1.91 C1CCNC(C1)CCC(=O)O BC223407 [0,0,0,0,0,1|1,0,0]=2 56 B8R0.7 C(CCC(=O)O)CCBr BC206267 [1,0,1,0,0,0|1,0,0]=3 57 B8R0.7 C(CCC(=O)O)CCN BC204341 [1,0,1,0,0,0|1,0,0]=3 58 B8R1.2 C1CC(CNC1)CN BC219301 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.2 C1CC(CNC1)CN BC677271 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.2 C1CC(CNC1)CO BC202762 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.2 C1CCC(CC1)C#N BC213503 [2,0,0,0,0,0|1,0,1]=4 62 B8R1.2 C1CCC(CC1)C=O BC205561 [2,0,0,0,0,0|0,0,0]=2 63 B8R1.2 C1CCC(CC1)NN BC657075 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 C1CN(CCN1)C=O BC220308 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.2 C1CNCCC1C=O BC675947 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.2 C1CNCCC1CBr BC654630 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 C1COC(CN1)CO BC202830 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 C1COCCC1CN BC684473 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.2 C1COCCC1CO BC650897 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.2 C1COC[C@@H](N1)CO BC202773 [2,0,0,0,0,0|2,0,0]=4 71 B10R0.4 C(CCCC(=O)O)CCCO BC600063 [0,1,1,0,0,0|0,0,0]=2 72 B10R0.75 C(CO)CSC[C@@H](C(=O)O)N BC215949 [0,1,1,0,0,0|2,0,0]=4 73 B10R0.70 CC(C)CC(CC(=O)O)CN BC219803 [0,1,1,0,0,0|1,0,0]=3 74 B10R0.70 CC(C)CC(CC(=O)O)CN BC678025 [0,1,1,0,0,0|1,0,0]=3 75 B10R0.70 CC(C)C[C@@H](CC(=O)O)CN BC634849 [0,1,1,0,0,0|1,0,0]=3 76 B10R1.13 C1CC(=O)CCC1C(=O)O BC206441 [0,1,0,0,1,0|0,0,1]=3 77 B10R1.13 C1CC(CCC1C(=O)O)O BC200625 [0,1,0,0,1,0|0,0,0]=2 78 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O BC645886 [0,1,0,0,1,0|0,0,0]=2 79 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)O BC684720 [0,1,0,0,1,0|0,0,0]=2 80 B10R1.13 CN1CCC(CC1)C(=O)O BC676846 [0,1,0,0,1,0|1,0,0]=3 81 B10R1.61 CN1CCNCC1C(=O)O BC600173 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.113 C1CC(NC(=O)C1)C(=O)O BC215498 [0,1,0,0,1,0|1,0,1]=4 83 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O BC220156 [0,1,0,0,1,0|1,0,0]=3 84 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N BC225194 [0,1,0,0,1,0|0,0,0]=2 85 B12R1.43 C1CCC(CC1)C[C@H](C(=O)O)N BC205881 [0,1,0,0,0,1|0,0,0]=2 86 B12R1.32 CCOC(=O)CC1CCCNC1 BC226522 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.32 CCOC(=O)CC1CCOCC1 BC683298 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.32 CCOC(=O)C[C@@H]1CCCNC1 BC226523 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 BC226524 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.3524 COC(=O)CC1(CCOCC1)N BC677422 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.3862 C1CCC(CC1)(CC(=O)O)CN BC203516 [0,2,0,0,0,0|0,0,0]=2 92 B10R1.39 COC1CNCC1C(=O)O BC204828 [0,0,1,1,0,0|2,0,0]=4 93 B10R1.348 C1CCC(NCC1)C(=O)O BC677014 [0,0,1,1,0,0|1,0,0]=3 94 B10R2.7 C1CCC2CNCC2C1 BC200566 [1,0,0,1,0,0|2,0,0]=4 95 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 BC218845 [1,0,0,1,0,0|2,0,0]=4 96 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 BC677558 [1,0,0,1,0,0|2,0,0]=4 97 B10R2.62 C1CN2CCC1C(=O)C2 BC211813 [1,0,0,1,0,0|1,0,0]=3 98 B10R2.62 C1CN2CCC1C(=O)C2 BC220405 [1,0,0,1,0,0|1,0,0]=3 99 B10R2.62 C1CN2CCC1[C@@H](C2)O BC225530 [1,0,0,1,0,0|1,0,1]=4 100 B10R2.62 C1CN2CCC1[C@H](C2)O BC225526 [1,0,0,1,0,0|1,0,1]=4 101 B10R2.71 C1CC2CC(=O)CC1N2 BC223629 [0,0,0,1,1,0|2,0,0]=4 102 B10R2.71 C1C[C@H]2CC(=O)C[C@@H]1N2 BC679108 [0,0,0,1,1,0|2,0,0]=4 103 B12R2.2918 C1CCC2(CC1)CC(=O)NC2 BC203513 [0,0,0,1,0,1|1,0,0]=3 104 B12R2.2918 C1CNCCC12CC(=O)CO2 BC678824 [0,0,0,1,0,1|2,0,0]=4 105 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC205409 [0,0,1,0,1,0|2,0,0]=4 106 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206763 [0,0,1,0,1,0|2,0,0]=4 107 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206765 [0,0,1,0,1,0|2,0,0]=4 108 B8R0.8 CSCCC(C(=O)O)N BC201484 [0,0,1,0,1,0|2,0,0]=4 109 B8R1.8 C1CCN(C1)CCO BC214742 [1,0,0,0,1,0|1,0,1]=4 110 B8R1.8 C1CNCC1CCO BC683601 [1,0,0,0,1,0|1,0,1]=4 111 B8R1.7 C1C=CCC1C(=O)O BC226569 [0,0,0,0,2,0|0,0,2]=4 112 B8R1.7 C1CC(OC1)C(=O)O BC226570 [0,0,0,0,2,0|1,0,0]=3 113 B8R1.7 C1CNCC1C(=O)O BC202146 [0,0,0,0,2,0|1,0,0]=3 114 B8R1.7 C1CNC[C@@H]1C(=O)O BC677876 [0,0,0,0,2,0|1,0,0]=3 115 B8R1.7 C1CNC[C@H]1C(=O)O BC202147 [0,0,0,0,2,0|1,0,0]=3 116 B8R1.7 C1COC[C@H]1C(=O)O BC677393 [0,0,0,0,2,0|1,0,0]=3 117 B8R1.7 C1C[C@@H](OC1)C(=O)O BC209033 [0,0,0,0,2,0|1,0,0]=3 118 B8R1.7 C1C[C@H](NC1)C(=O)O BC689080 [0,0,0,0,2,0|1,0,0]=3 119 B8R1.7 C1[C@H](NCS1)C(=O)O BC215224 [0,0,0,0,2,0|2,0,0]=4 120 B8R1.7 CC(=O)C1CCCC1 BC225383 [0,0,0,0,2,0|1,0,0]=3 121 B12R1.252 C1CCN(CC1)CCCC(=O)O BC657108 [0,0,0,0,0,2|1,0,0]=3