0 B14R0.392 C#CCCCCCCCCCCCCC HR114990 [0,0,0,0,0,0|1,0,1]=2 1 B14R0.392 C=COCCCCCCCCCCCC HR116306 [0,0,0,0,0,0|2,0,1]=3 2 B14R0.392 CCCCCCCCCCCCCC=O HR122308 [0,0,0,0,0,0|0,0,2]=2 3 B14R0.392 CCCCCCCCCCCCCCBr HR126734 [0,0,0,0,0,0|1,0,0]=1 4 B14R0.392 CCCCCCCCCCCCCCC HR137629 [0,0,0,0,0,0|1,0,0]=1 5 B14R0.392 CCCCCCCCCCCCCCCl HR132567 [0,0,0,0,0,0|1,0,0]=1 6 B14R0.392 CCCCCCCCCCCCCCN HR131809 [0,0,0,0,0,0|1,0,0]=1 7 B14R0.392 CCCCCCCCCCCCCCO HR121797 [0,0,0,0,0,0|0,0,0]=0 8 B14R0.392 CCCCCCCCCCCCCCS HR121478 [0,0,0,0,0,0|0,1,0]=1 9 B14R0.392 CCCCCCCCCCCCN=C=O HR120698 [0,0,0,0,0,0|1,0,2]=3 10 B14R0.392 CCCCCC\C=C\CCCCCCO HR110533 [0,0,0,0,0,0|0,0,2]=2 11 B14R0.392 CCCCOCCOCCOCCCC HR129966 [0,0,0,0,0,0|4,0,0]=4 12 B14R0.392 NCCCCCCNCCCCCCN HR122894 [0,0,0,0,0,0|3,0,0]=3 13 B14R0.392 OCCCCCCCCCCCCCBr HR123091 [0,0,0,0,0,0|1,0,0]=1 14 B14R0.392 OCCCCCCCCCCCCCO HR110921 [0,0,0,0,0,0|1,0,0]=1 15 B13R0.336 BrCCCCCCCCCCCCBr HR104190 [1,0,0,0,0,0|2,0,0]=3 16 B13R0.336 C=CCCCCCCCCCCCC HR133198 [1,0,0,0,0,0|0,0,2]=3 17 B13R0.336 CCCCCCCCCCCCCBr HR139846 [1,0,0,0,0,0|1,0,0]=2 18 B13R0.336 CCCCCCCCCCCCCC HR100025 [1,0,0,0,0,0|0,0,0]=1 19 B13R0.336 CCCCCCCCCCCCCCl HR104301 [1,0,0,0,0,0|1,0,0]=2 20 B13R0.336 CCCCCCCCCCCCCN HR126284 [1,0,0,0,0,0|1,0,0]=2 21 B13R0.336 CCCCCCCCCCCCCO HR144881 [1,0,0,0,0,0|0,0,0]=1 22 B13R0.336 CCCCCCCCCCCCSC HR123992 [1,0,0,0,0,0|1,0,0]=2 23 B13R0.336 CCCCOCCOCCOCCO HR123258 [1,0,0,0,0,0|3,0,0]=4 24 B13R0.336 NCCCCCCCCCCCCN HR138454 [1,0,0,0,0,0|2,0,0]=3 25 B13R0.336 OCCCCCCCCCCCCBr HR116101 [1,0,0,0,0,0|1,0,0]=2 26 B13R0.336 OCCCCCCCCCCCCO HR137940 [1,0,0,0,0,0|1,0,0]=2 27 B15R0.70 C=CCCCCCCCCCCCCCC HR133468 [0,1,0,0,0,0|1,0,0]=2 28 B15R0.70 CCCCCCCCCCCCCCCBr HR140226 [0,1,0,0,0,0|1,0,0]=2 29 B15R0.70 CCCCCCCCCCCCCCCC HR127826 [0,1,0,0,0,0|1,0,0]=2 30 B15R0.70 CCCCCCCCCCCCCCCO HR140325 [0,1,0,0,0,0|0,0,0]=1 31 B15R0.70 CCCCCCOCCOCCOCCO HR143168 [0,1,0,0,0,0|2,0,0]=3 32 B15R0.70 OCCCCCCCCCCCCCCBr HR123358 [0,1,0,0,0,0|0,0,0]=1 33 B15R0.70 OCCCCCCCCCCCCCCO HR110324 [0,1,0,0,0,0|0,0,0]=1 34 B15R0.81 CCCCCCCCCCCCC(O)CO HR113071 [0,1,0,0,0,0|0,0,0]=1 35 B15R0.133 CCCCCCCC(=O)OCCCCCC HR110541 [0,1,0,0,0,0|2,0,1]=4 36 B15R0.164 CCCCCCCCCCCCCC(=O)O HR122478 [0,1,0,0,0,0|0,0,1]=2 37 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] HR120147 [0,1,0,0,0,0|0,0,2]=3 38 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] HR120467 [0,1,0,0,0,0|0,0,2]=3 39 B15R0.164 CCCCCCCCCCCCCC(C)=O HR117964 [0,1,0,0,0,0|0,0,2]=3 40 B15R0.164 CCCCCCCCCCCCCC(C)C HR101890 [0,1,0,0,0,0|1,0,0]=2 41 B15R0.164 CCCCCCCCCCCCNC(=N)N HR129015 [0,1,0,0,0,0|2,0,1]=4 42 B15R0.164 CCCCCCCCCCCCNC(=N)N HR144803 [0,1,0,0,0,0|2,0,1]=4 43 B15R0.164 CCCCCCCCCCCCOC(=O)Cl HR124177 [0,1,0,0,0,0|1,0,2]=4 44 B15R0.164 CCCCCCCCCCCOCC(=O)O HR148875 [0,1,0,0,0,0|1,0,1]=3 45 B15R0.366 CCCCCCCCCCCC(=O)OCC HR128383 [0,1,0,0,0,0|2,0,1]=4 46 B12R0.5 CCCCCCCCCCCC#N HR130787 [2,0,0,0,0,0|1,0,1]=4 47 B12R0.5 CCCCCCCCCCCCBr HR126999 [2,0,0,0,0,0|1,0,0]=3 48 B12R0.5 CCCCCCCCCCCCC HR137125 [2,0,0,0,0,0|0,0,0]=2 49 B12R0.5 CCCCCCCCCCCCCl HR124663 [2,0,0,0,0,0|1,0,0]=3 50 B12R0.5 CCCCCCCCCCCCN HR132072 [2,0,0,0,0,0|1,0,0]=3 51 B12R0.5 CCCCCCCCCCCCO HR130743 [2,0,0,0,0,0|0,0,0]=2 52 B12R0.5 CCCCCCCCCCCCO HR142921 [2,0,0,0,0,0|0,0,0]=2 53 B12R0.5 CCCCCCNCCCCCC HR141193 [2,0,0,0,0,0|1,0,0]=3 54 B12R0.5 CCCCCCOCCCCCC HR144687 [2,0,0,0,0,0|1,0,0]=3 55 B12R0.5 CCCCCCOCCOCCO HR117238 [2,0,0,0,0,0|2,0,0]=4 56 B12R0.5 NCCCCCCCCCCCN HR100270 [2,0,0,0,0,0|2,0,0]=4 57 B12R0.5 OCCCCCCCCCCCBr HR116420 [2,0,0,0,0,0|1,0,0]=3 58 B12R0.5 OCCCCCCCCCCCO HR123963 [2,0,0,0,0,0|1,0,0]=3 59 B12R0.5 OCCCCCCCCCCCS HR128521 [2,0,0,0,0,0|1,0,0]=3 60 B14R0.145 CCCCCCCC(=O)OCCCCC HR141391 [1,1,0,0,0,0|1,0,1]=4 61 B14R0.337 CCCCCCCCCCCC(=O)OC HR136855 [1,1,0,0,0,0|1,0,1]=4 62 B14R0.394 CC(C)CCCCCCCCCCC=O HR126172 [1,1,0,0,0,0|0,0,2]=4 63 B14R0.394 CCCCCCCCCCCCC(=O)O HR141487 [1,1,0,0,0,0|0,0,1]=3 64 B14R0.394 CCCCCCCCCCCCN(C)C HR124491 [1,1,0,0,0,0|1,0,0]=3 65 B14R0.394 NCCCCCCCCCCCC(=O)O HR103991 [1,1,0,0,0,0|1,0,1]=4 66 B16R0.221 CCCCCCCCCCCCCC(=O)OC HR138666 [0,2,0,0,0,0|0,0,1]=3 67 B16R0.274 CCCCCCCCCCCCCCC(=O)O HR142276 [0,2,0,0,0,0|0,0,0]=2 68 B16R0.274 CCCCCCCCCCCCCCN(C)C HR124664 [0,2,0,0,0,0|1,0,0]=3 69 B16R0.303 CCCCCCCCCCCCCCCC#N HR145628 [0,2,0,0,0,0|1,0,0]=3 70 B16R0.303 CCCCCCCCCCCCCCCC=O HR127530 [0,2,0,0,0,0|0,0,1]=3 71 B16R0.303 CCCCCCCCCCCCCCCCBr HR136093 [0,2,0,0,0,0|1,0,0]=3 72 B16R0.303 CCCCCCCCCCCCCCCCC HR133683 [0,2,0,0,0,0|1,0,0]=3 73 B16R0.303 CCCCCCCCCCCCCCCCCl HR123859 [0,2,0,0,0,0|1,0,0]=3 74 B16R0.303 CCCCCCCCCCCCCCCCI HR132348 [0,2,0,0,0,0|1,0,0]=3 75 B16R0.303 CCCCCCCCCCCCCCCCN HR132495 [0,2,0,0,0,0|1,0,0]=3 76 B16R0.303 CCCCCCCCCCCCCCCCO HR125172 [0,2,0,0,0,0|0,0,0]=2 77 B16R0.303 CCCCCCCCCCCCCCCCS HR125583 [0,2,0,0,0,0|0,1,0]=3 78 B16R0.303 CCCCCCCCCCCCCCC[Mg]Br HR104511 [0,2,0,0,0,0|1,0,0]=3 79 B16R0.303 CCCCCCCCCCCCCCN=C=O HR107423 [0,2,0,0,0,0|0,0,1]=3 80 B16R0.303 CCCCCCCCCCCCNCCCN HR115783 [0,2,0,0,0,0|1,0,0]=3 81 B16R0.303 CCCCCCCCCCCCOCCCN HR127262 [0,2,0,0,0,0|1,0,0]=3 82 B16R0.303 CCCCCCCCNCCCCCCCC HR125406 [0,2,0,0,0,0|1,0,0]=3 83 B16R0.303 CCCCCCCCOCCCCCCCC HR101221 [0,2,0,0,0,0|1,0,0]=3 84 B16R0.303 CCCCOCCOCCOCCOCCO HR142558 [0,2,0,0,0,0|2,0,0]=4 85 B16R0.303 CCCC\C=C\CCCCCCCCCC=O HR140248 [0,2,0,0,0,0|0,0,2]=4 86 B16R0.303 OCCCCCCCCCCCCCCCBr HR115790 [0,2,0,0,0,0|0,0,0]=2 87 B16R0.303 OCCCCCCCCCCCCCCCO HR108295 [0,2,0,0,0,0|0,0,0]=2 88 B16R0.661 CCCCCCCCCCCC(=O)NCCO HR136970 [0,2,0,0,0,0|0,0,1]=3 89 B16R0.661 CCCCCCCCCCCC(=O)NCCO HR140999 [0,2,0,0,0,0|0,0,1]=3 90 B16R0.661 CCCCCCCCCCCC(=O)OCCO HR128957 [0,2,0,0,0,0|0,0,1]=3 91 B16R0.3292 CCCCCCCCCCCC[N+](C)(C)CC HR137079 [0,2,0,0,0,0|2,0,0]=4 92 B16R0.6606 CCCCCCCCCC(=O)OCC(O)CO HR110550 [0,2,0,0,0,0|1,0,1]=4 93 B16R0.6401 CCCCCCCCC(CBr)CCCCCC HR143883 [0,2,0,0,0,0|1,0,0]=3 94 B16R0.6401 CCCCCCCCC(CO)CCCCCC HR116346 [0,2,0,0,0,0|1,0,0]=3 95 B16R0.1188 CCCCCCCCCCCCCC(C)(C)S HR142095 [0,2,0,0,0,0|0,1,0]=3 96 B16R0.1188 CCCCCCCCCCCCOP(=O)(O)O HR133625 [0,2,0,0,0,0|2,0,0]=4 97 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O HR134792 [0,2,0,0,0,0|2,0,0]=4 98 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O HR135056 [0,2,0,0,0,0|2,0,0]=4 99 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O HR139758 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.123 BrCCCCCCOC1CCCCO1 HR112801 [1,0,0,1,0,0|2,0,0]=4 101 B14R1.123 CCCCCCCCN1CCNCC1 HR101641 [1,0,0,1,0,0|2,0,0]=4 102 B16R1.643 BrCCCCCCCCOC1CCCCO1 HR143359 [0,1,0,1,0,0|1,0,0]=3 103 B16R1.8379 CCCCCCCCB1OCCNCCO1 HR151333 [0,1,0,1,0,0|2,0,0]=4 104 B16R1.8816 O=C1CCCCCCCCCCCCCC1 HR135024 [0,1,0,1,0,0|0,0,1]=3 105 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 HR104297 [0,1,0,1,0,0|0,0,1]=3 106 B16R2.2256 C1CCC(CNCC2CCCCC2)CC1 HR132428 [0,0,0,2,0,0|2,0,0]=4