0 B8R0.7 C(CCC(=O)O)CCBr BC206267 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.7 C(CCC(=O)O)CCN BC204341 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.1 CCCCOCCO BC675581 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.1 CC\C=C\C=C\C=O BC218794 [1,0,0,0,0,0|0,0,2]=3 4 B7R0.4 C(CCBr)CC(=O)Cl BC681280 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.4 C(CCBr)CC(=O)O BC220689 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [1,0,0,0,0,0|1,0,2]=4 7 B9R0.2 CCCCCCCC(=O)[O-] BC213313 [0,1,0,0,0,0|0,0,3]=4 8 B9R0.47 C(CCN)C[C@@H](C(=O)O)N BC677886 [0,1,0,0,0,0|1,0,2]=4 9 B9R0.47 C(CCO)C[C@@H](C(=O)O)N BC676968 [0,1,0,0,0,0|1,0,2]=4 10 B9R1.6 B(C1=CCCCC1)(O)O BC689335 [0,0,0,1,0,0|1,0,1]=3 11 B9R1.6 C1CCC(=CC1)C(=O)O BC215574 [0,0,0,1,0,0|0,0,0]=1 12 B9R1.6 C1CCC(CC1)C(=O)Cl BC213497 [0,0,0,1,0,0|1,0,2]=4 13 B9R1.6 C1CCNC(C1)C(=O)O BC200281 [0,0,0,1,0,0|1,0,1]=3 14 B9R1.6 C1CCNC(C1)C(=O)O BC226798 [0,0,0,1,0,0|1,0,1]=3 15 B9R1.6 C1CCN[C@H](C1)C(=O)O BC208985 [0,0,0,1,0,0|1,0,1]=3 16 B9R1.6 C1CNC(CN1)C(=O)O BC200169 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.6 C1CNCCC1C(=O)O BC200847 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.6 C1CNCCC1C(=O)O BC202249 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.6 C1CN[C@@H](CN1)C(=O)O BC204205 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.6 C1CN[C@@H](CN1)C(=O)O BC204999 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.6 C1COC(CN1)C(=O)O BC204770 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.6 C1COCC(N1)C(=O)O BC217600 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.6 C1COCCC1C(=O)O BC202214 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.6 C1COC[C@H](N1)C(=O)O BC222631 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.6 C1C[C@@H](CNC1)C(=O)O BC213392 [0,0,0,1,0,0|1,0,2]=4 26 B9R1.6 C1C[C@@H](CNC1)C(=O)O BC667219 [0,0,0,1,0,0|1,0,2]=4 27 B9R1.6 CC(=O)C1CCCCN1 BC223321 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.6 CC(=O)N1CCCCC1 BC209956 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.13 C1CCC(C1)OC(=O)Cl BC680230 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.13 C1CNC[C@@H]1CC(=O)O BC241278 [0,0,0,1,0,0|1,0,2]=4 31 B9R1.13 C1CNC[C@H]1CC(=O)O BC202154 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O BC210183 [0,0,0,1,0,0|1,0,2]=4 33 B9R1.41 Cn1c(ccn1)C(=O)O BC649926 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.41 Cn1cncc1C(=O)O BC220093 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.50 C1CCCC(=O)CCC1 BC226157 [0,0,0,1,0,0|1,0,2]=4 36 B9R1.50 C1CCCNC(=O)CC1 BC677015 [0,0,0,1,0,0|1,0,2]=4 37 B6R0.6 CCC\C=C\C=O BC231929 [2,0,0,0,0,0|0,0,0]=2 38 B6R0.4 C(CC(=O)O)C#N BC670380 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.4 C(CC(=O)O)CBr BC219750 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.4 C(CC(=O)O)CN BC204189 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.4 C(\C=C\C(=O)O)O BC224091 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.4 C=CCCC(=O)O BC678220 [2,0,0,0,0,0|0,0,2]=4 43 B8R0.4 CCC\C=C\C=C\C=O BC218795 [1,1,0,0,0,0|0,0,1]=3 44 B8R0.6 CCCCOC(=O)C=O BC202578 [1,1,0,0,0,0|1,0,0]=3 45 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC205409 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206763 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206765 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.8 CSCCC(C(=O)O)N BC201484 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.28 CC(C)CCNC(=O)C BC600079 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.28 CN(C)C\C=C\C(=O)O BC225128 [1,1,0,0,0,0|1,0,0]=3 51 B10R0.59 COC(=O)C\C=C\C(=O)OC BC677567 [0,2,0,0,0,0|1,0,1]=4 52 B10R0.4 C(CCCC(=O)O)CCCO BC600063 [0,2,0,0,0,0|0,0,2]=4 53 B8R1.2 C1CCC(CC1)C=O BC205561 [1,0,0,1,0,0|0,0,2]=4 54 B8R1.22 C1CCCC(=O)CC1 BC219858 [1,0,0,1,0,0|0,0,2]=4 55 B8R1.1 C1=CC(=O)O[C@H]1CO BC219787 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.7 C1CC(OC1)C(=O)O BC226570 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.7 C1CNCC1C(=O)O BC202146 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.7 C1CNC[C@@H]1C(=O)O BC677876 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.7 C1CNC[C@H]1C(=O)O BC202147 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.7 C1COC[C@H]1C(=O)O BC677393 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.7 C1C[C@@H](OC1)C(=O)O BC209033 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.7 C1C[C@H](NC1)C(=O)O BC689080 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.7 CC(=O)C1CCCC1 BC225383 [1,0,0,1,0,0|1,0,1]=4 64 B10R1.13 C1CC(CCC1C(=O)O)O BC200625 [0,1,0,1,0,0|0,0,2]=4 65 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O BC645886 [0,1,0,1,0,0|0,0,2]=4 66 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)O BC684720 [0,1,0,1,0,0|0,0,2]=4 67 B10R1.18 C1CC(CNC1)CC(=O)O BC211582 [0,1,0,1,0,0|0,0,2]=4 68 B10R1.18 C1CC(C[NH2+]C1)CC(=O)O BC223508 [0,1,0,1,0,0|0,0,2]=4 69 B10R1.18 C1CCC(CC1)CC(=O)O BC216390 [0,1,0,1,0,0|0,0,2]=4 70 B10R1.18 C1CCNC(C1)CC(=O)O BC211585 [0,1,0,1,0,0|0,0,2]=4 71 B10R1.18 C1COCCC1CC(=O)O BC677407 [0,1,0,1,0,0|0,0,2]=4 72 B10R1.18 C1COCCN1CC(=O)O BC208067 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.348 C1CCC(NCC1)C(=O)O BC677014 [0,1,0,1,0,0|0,0,2]=4 74 B10R1.2 CCc1c(c(=O)cco1)O BC201058 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.15 COC(=O)C1CCCCN1 BC226785 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.15 COC(=O)[C@@H]1CCCCN1 BC204284 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.15 COC(=O)[C@@H]1CCCCN1 BC223302 [0,1,0,1,0,0|1,0,1]=4 78 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N BC225194 [0,1,0,1,0,0|0,0,2]=4 79 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O BC220156 [0,1,0,1,0,0|1,0,1]=4