0 B14R0.337 CCCCCCCCCCCC(=O)NN B25151 [0,0,0,0,0,0|2,0,0]=2 1 B14R0.337 CCCCCCCCCCCC(=O)OC A12492 [0,0,0,0,0,0|0,0,0]=0 2 B13R0.54 CCCCCCCCCCCC(=O)C A19042 [1,0,0,0,0,0|0,0,0]=1 3 B13R0.54 CCCCCCCCCCCC(=O)Cl A13294 [1,0,0,0,0,0|1,0,0]=2 4 B13R0.54 CCCCCCCCCCCC(=O)O 42038 [1,0,0,0,0,0|0,0,0]=1 5 B13R0.54 CCCCCCCCCCCC(=O)O A11672 [1,0,0,0,0,0|0,0,0]=1 6 B13R0.54 CCCCCCCCCCCC(=O)[O-] 71130 [1,0,0,0,0,0|0,0,1]=2 7 B13R0.54 CCCCCCCCCCCC(C)O L01926 [1,0,0,0,0,0|0,0,2]=3 8 B13R0.54 CCCCCCCCCCOC(=O)C A18814 [1,0,0,0,0,0|1,0,0]=2 9 B13R0.54 CCCCOCCOCCOC(=O)C A16065 [1,0,0,0,0,0|3,0,0]=4 10 B13R0.147 CCCCCCCCCCC(=O)OC L05939 [1,0,0,0,0,0|0,0,0]=1 11 B13R0.147 COC(=O)CCCCCCCCC#C H53453 [1,0,0,0,0,0|0,0,2]=3 12 B13R0.336 CCCCCCCCCCCCC#C L02573 [1,0,0,0,0,0|1,0,2]=4 13 B13R0.336 CCCCCCCCCCCCC=C A13974 [1,0,0,0,0,0|1,0,2]=4 14 B13R0.336 CCCCCCCCCCCCC=O A19722 [1,0,0,0,0,0|2,0,1]=4 15 B13R0.336 CCCCCCCCCCCCCC 30809 [1,0,0,0,0,0|1,0,1]=3 16 B13R0.336 CCCCCCCCCCCCCC A14672 [1,0,0,0,0,0|1,0,1]=3 17 B13R0.336 CCCCCCCCCCCCNC L07025 [1,0,0,0,0,0|1,0,1]=3 18 B13R0.336 CCCCCCCCCCCCSC 14877 [1,0,0,0,0,0|0,1,1]=3 19 B13R0.336 CCCCCCCCNCCCCC L18869 [1,0,0,0,0,0|2,0,1]=4 20 B15R0.172 COC(=O)CCCCCCCCC(=O)OC L15805 [0,1,0,0,0,0|1,0,1]=3 21 B15R0.366 CCCCCCCCCCCC(=O)OCC A11188 [0,1,0,0,0,0|0,0,0]=1 22 B12R0.5 C(CCCCCO)CCCCCBr L14448 [2,0,0,0,0,0|1,0,1]=4 23 B12R0.5 CCCCCCCCCCCC#C L02481 [2,0,0,0,0,0|0,0,2]=4 24 B12R0.5 CCCCCCCCCCCC#N A19038 [2,0,0,0,0,0|1,0,1]=4 25 B12R0.5 CCCCCCCCCCCC=C B24413 [2,0,0,0,0,0|0,0,1]=3 26 B12R0.5 CCCCCCCCCCCC=O A15611 [2,0,0,0,0,0|0,0,0]=2 27 B12R0.5 CCCCCCCCCCCCBr A10600 [2,0,0,0,0,0|1,0,1]=4 28 B12R0.5 CCCCCCCCCCCCC A18220 [2,0,0,0,0,0|0,0,1]=3 29 B12R0.5 CCCCCCCCCCCCI A11909 [2,0,0,0,0,0|1,0,1]=4 30 B12R0.5 CCCCCCCCCCCCN A15515 [2,0,0,0,0,0|1,0,1]=4 31 B12R0.5 CCCCCCCCCCCCN L12314 [2,0,0,0,0,0|1,0,1]=4 32 B12R0.5 CCCCCCCCCCCCO A12228 [2,0,0,0,0,0|0,0,1]=3 33 B12R0.5 CCCCCCCCCCCCS A12741 [2,0,0,0,0,0|0,1,1]=4 34 B12R0.5 CCCCCCCCCCCCS H29045 [2,0,0,0,0,0|0,1,1]=4 35 B12R0.5 CCCCCCCCCCCC[Mg+] H51172 [2,0,0,0,0,0|1,0,1]=4 36 B12R0.5 CCCCCCCCCCCC[Zn+] H58606 [2,0,0,0,0,0|1,0,1]=4 37 B12R0.5 CCCCCCNCCCCCC L06326 [2,0,0,0,0,0|1,0,1]=4 38 B12R0.5 CCCCCCOCCCCCC L07076 [2,0,0,0,0,0|1,0,1]=4 39 B12R0.5 CCCCCCSCCCCCC B22325 [2,0,0,0,0,0|1,0,1]=4 40 B12R0.234 B(CCCCCCCCCC)(O)O L19957 [2,0,0,0,0,0|1,0,1]=4 41 B12R0.234 C#CCCCCCCCCC(=O)O A13815 [2,0,0,0,0,0|0,0,2]=4 42 B12R0.234 C(CCCCC(=O)O)CCCCBr H60292 [2,0,0,0,0,0|1,0,0]=3 43 B12R0.234 C(CCCCC(=O)O)CCCCO H60743 [2,0,0,0,0,0|1,0,0]=3 44 B12R0.234 C=CCCCCCCCCC(=O)O A19122 [2,0,0,0,0,0|0,0,2]=4 45 B12R0.234 CCCCCCCCCCC(=O)C A18862 [2,0,0,0,0,0|0,0,0]=2 46 B12R0.234 CCCCCCCCCCC(=O)Cl H56380 [2,0,0,0,0,0|1,0,0]=3 47 B12R0.234 CCCCCCCCCCC(=O)O A11244 [2,0,0,0,0,0|0,0,0]=2 48 B12R0.234 CCCCCCCC\C=C\C(=O)O L11579 [2,0,0,0,0,0|0,0,2]=4 49 B12R0.248 CCCCCCCCCC(=O)OC A15658 [2,0,0,0,0,0|0,0,0]=2 50 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] B20332 [1,1,0,0,0,0|1,0,1]=4 51 B14R0.394 B(CCCCCCCCCCCC)(O)O L19958 [1,1,0,0,0,0|1,0,1]=4 52 B14R0.394 C(CCCCCC(=O)O)CCCCCN B25121 [1,1,0,0,0,0|0,0,0]=2 53 B14R0.394 C(CCCCCC(=O)O)CCCCCO H60425 [1,1,0,0,0,0|0,0,0]=2 54 B14R0.394 CCCCCCCCCCCCC(C)Br L10974 [1,1,0,0,0,0|1,0,1]=4 55 B14R0.394 CCCCCCCCCCCCN(C)C B24145 [1,1,0,0,0,0|2,0,0]=4 56 B14R0.197 COC(=O)CCCCCCCC(=O)OC L17458 [1,1,0,0,0,0|1,0,1]=4 57 B14R0.393 CCCCCCCCCCC(=O)OCC B23416 [1,1,0,0,0,0|0,0,0]=2 58 B14R0.392 CCCCCCCCCCCCCCBr A16082 [1,1,0,0,0,0|1,0,1]=4 59 B14R0.392 CCCCCCCCCCCCCCC A10336 [1,1,0,0,0,0|1,0,1]=4 60 B14R0.392 CCCCCCCCCCCCCCO A19638 [1,1,0,0,0,0|1,0,1]=4 61 B14R0.392 CCCCCCCCCCCCCCS L09401 [1,1,0,0,0,0|1,0,1]=4 62 B14R0.392 CCCCCCCCCCCCCC[Zn+] H58665 [1,1,0,0,0,0|1,0,1]=4 63 B14R0.392 CCCCCCCCOCCCCCC B20576 [1,1,0,0,0,0|1,0,1]=4 64 B16R0.61 CCCCCCCCCCCCC(=O)OCC B25242 [0,2,0,0,0,0|0,0,0]=2 65 B16R0.221 CCCCCCCCCCCCCC(=O)CC L05098 [0,2,0,0,0,0|1,0,0]=3 66 B16R0.221 CCCCCCCCCCCCCC(=O)OC A10257 [0,2,0,0,0,0|0,0,0]=2 67 B16R0.221 CCCCCCCCCCCCNC(=O)C=C H37507 [0,2,0,0,0,0|1,0,1]=4 68 B16R0.221 CCCCCCCCCCCCOC(=O)C=C H60625 [0,2,0,0,0,0|1,0,1]=4 69 B16R0.224 CCCCCCCCCCCOC(=O)C(=C)C L11544 [0,2,0,0,0,0|1,0,0]=3 70 B16R0.661 CCCCCCCCCCCC(=O)CCCC B24881 [0,2,0,0,0,0|1,0,0]=3 71 B14R1.26 CCCCCCCC1CCCC(=O)O1 L14406 [1,0,0,1,0,0|0,0,0]=2 72 B16R1.8816 C1CCCCCCCC(=O)CCCCCC1 A17652 [0,1,0,1,0,0|1,0,0]=3 73 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 B24794 [0,1,0,1,0,0|2,0,0]=4