0 B9R0.2 CCCCCCCC(=O)[O-] BC213313 [0,0,0,0,0,0|0,0,3]=3 1 B8R0.4 CCC\C=C\C=C\C=O BC218795 [1,0,0,0,0,0|0,0,2]=3 2 B8R0.7 C(CCC(=O)O)CCBr BC206267 [1,0,0,0,0,0|1,0,1]=3 3 B8R0.7 C(CCC(=O)O)CCN BC204341 [1,0,0,0,0,0|1,0,1]=3 4 B10R0.4 C(CCCC(=O)O)CCCO BC600063 [0,1,0,0,0,0|0,0,2]=3 5 B10R1.18 C1CC(CNC1)CC(=O)O BC211582 [0,0,0,1,0,0|1,0,2]=4 6 B10R1.18 C1CC(C[NH2+]C1)CC(=O)O BC223508 [0,0,0,1,0,0|1,0,2]=4 7 B10R1.18 C1CCC(CC1)CC(=O)O BC216390 [0,0,0,1,0,0|0,0,2]=3 8 B10R1.18 C1CCC(CC1)OC(=O)Cl BC215606 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.18 C1CCNC(C1)CC(=O)O BC211585 [0,0,0,1,0,0|1,0,2]=4 10 B10R1.18 C1COCCC1CC(=O)O BC677407 [0,0,0,1,0,0|1,0,2]=4 11 B10R1.18 C1COCCN1CC(=O)O BC208067 [0,0,0,1,0,0|2,0,1]=4 12 B10R1.348 C1CCC(NCC1)C(=O)O BC677014 [0,0,0,1,0,0|1,0,1]=3 13 B7R0.1 CC\C=C\C=C\C=O BC218794 [2,0,0,0,0,0|0,0,2]=4 14 B7R0.4 C(CCBr)CC(=O)Cl BC681280 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.4 C(CCBr)CC(=O)O BC220689 [2,0,0,0,0,0|1,0,0]=3 16 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [2,0,0,0,0,0|1,0,1]=4 17 B9R0.47 C(CCN)C[C@@H](C(=O)O)N BC677886 [1,1,0,0,0,0|1,0,1]=4 18 B9R0.47 C(CCO)C[C@@H](C(=O)O)N BC676968 [1,1,0,0,0,0|1,0,1]=4 19 B11R0.148 C(CCCCO)CCCC(=O)O BC600070 [0,2,0,0,0,0|0,0,2]=4 20 B9R1.50 C1CCCC(=O)CCC1 BC226157 [1,0,0,1,0,0|0,0,2]=4 21 B9R1.50 C1CCCNC(=O)CC1 BC677015 [1,0,0,1,0,0|1,0,1]=4 22 B9R1.6 B(C1=CCCCC1)(O)O BC689335 [1,0,0,1,0,0|1,0,1]=4 23 B9R1.6 C1CCC(=CC1)C(=O)O BC215574 [1,0,0,1,0,0|0,0,0]=2 24 B9R1.6 C1CCC(CC1)C(=O)Cl BC213497 [1,0,0,1,0,0|1,0,1]=4 25 B9R1.6 C1CCNC(C1)C(=O)O BC200281 [1,0,0,1,0,0|1,0,1]=4 26 B9R1.6 C1CCNC(C1)C(=O)O BC226798 [1,0,0,1,0,0|1,0,1]=4 27 B9R1.6 C1CCN[C@H](C1)C(=O)O BC208985 [1,0,0,1,0,0|1,0,1]=4 28 B9R1.6 C1CNCCC1C(=O)O BC200847 [1,0,0,1,0,0|1,0,1]=4 29 B9R1.6 C1CNCCC1C(=O)O BC202249 [1,0,0,1,0,0|1,0,1]=4 30 B9R1.6 C1COCCC1C(=O)O BC202214 [1,0,0,1,0,0|1,0,1]=4 31 B9R1.6 C1C[C@@H](CNC1)C(=O)O BC213392 [1,0,0,1,0,0|1,0,1]=4 32 B9R1.6 C1C[C@@H](CNC1)C(=O)O BC667219 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.6 CC(=O)N1CCCCC1 BC209956 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.13 C1CCC(C1)OC(=O)Cl BC680230 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.13 C1CNC[C@@H]1CC(=O)O BC241278 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.13 C1CNC[C@H]1CC(=O)O BC202154 [1,0,0,1,0,0|1,0,1]=4 37 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O BC210183 [1,0,0,1,0,0|1,0,1]=4 38 B11R1.172 C1CCN(C1)CCCC(=O)O BC657107 [0,1,0,1,0,0|0,0,2]=4 39 B11R1.91 C1CC(CNC1)CCC(=O)O BC204400 [0,1,0,1,0,0|0,0,2]=4 40 B11R1.91 C1CCC(CC1)CCC(=O)O BC213508 [0,1,0,1,0,0|0,0,2]=4 41 B11R1.91 C1CCNC(C1)CCC(=O)O BC223407 [0,1,0,1,0,0|0,0,2]=4 42 B11R1.25 COC(=O)CNC1CCCC1 BC600060 [0,1,0,1,0,0|1,0,1]=4 43 B11R1.35 C1CCC(C1)C[C@@H](C(=O)O)N BC205880 [0,1,0,1,0,0|0,0,2]=4 44 B11R1.35 C1CCC(C1)C[C@H](C(=O)O)N BC679177 [0,1,0,1,0,0|0,0,2]=4 45 B11R1.36 C1CCC(CC1)[C@@H](C(=O)O)N BC200217 [0,1,0,1,0,0|0,0,2]=4