0 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.2 CCNC(=O)CC(=O)NCC CSC000076010 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,0,0,0,0,0|0,0,1]=2 3 B9R0.5 CCCCNC(=O)NCC CSC000163430 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [1,0,0,0,0,0|1,0,2]=4 6 B9R0.5 CCOC(=O)CSCC#N CSC000172129 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.34 CCCC(=O)OC(C)CC CSC000062825 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.34 CCCC(C)NC(=O)CC CSC000174104 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.34 CCCC(C)NC(=O)OC CSC000236099 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.34 CCCC(O)CC(=O)OC CSC000065524 [1,0,0,0,0,0|0,0,2]=3 11 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [1,0,0,0,0,0|1,0,1]=3 12 B11R0.1 CCOC(=O)CC(=O)NC(C)C CSC000058733 [0,1,0,0,0,0|1,0,0]=2 13 B11R0.5 CCCNC(=O)CC(=O)OCC CSC000058579 [0,1,0,0,0,0|0,0,0]=1 14 B11R0.5 CCOC(=O)CN(C)CCOC CSC011408476 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.30 CCOC(=O)C=C1CCCC1 CSC000054197 [0,0,0,1,0,0|1,0,1]=3 16 B11R1.30 CCOC(=O)CC1CCCO1 CSC011219920 [0,0,0,1,0,0|0,0,2]=3 17 B11R1.30 CCOC(=O)CN1CCCC1 CSC000188105 [0,0,0,1,0,0|2,0,0]=3 18 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [0,0,0,0,1,0|1,0,1]=3 19 B11R0.62 CCNC(=O)NNC(=O)OCC CSC000008331 [0,0,0,0,0,1|2,0,0]=3 20 B11R0.62 CCOC(=O)CNC(=O)OCC CSC011354237 [0,0,0,0,0,1|1,0,0]=2 21 B8R0.1 CCOC(=O)CCSC CSC000173045 [2,0,0,0,0,0|1,0,0]=3 22 B8R0.1 CCOC(=O)CSCC CSC000172126 [2,0,0,0,0,0|1,0,0]=3 23 B8R0.6 CCCSCC(=O)OC CSC000151543 [2,0,0,0,0,0|1,0,0]=3 24 B8R0.6 COC(=O)CCCSC CSC011216297 [2,0,0,0,0,0|1,0,1]=4 25 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [1,1,0,0,0,0|0,0,1]=3 26 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [1,1,0,0,0,0|1,0,1]=4 27 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [1,1,0,0,0,0|1,0,1]=4 28 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [1,1,0,0,0,0|0,0,2]=4 29 B10R0.3 CCOC(=O)CSCC(=O)C CSC000172134 [1,1,0,0,0,0|1,0,1]=4 30 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [1,1,0,0,0,0|0,0,1]=3 31 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [1,1,0,0,0,0|0,0,2]=4 32 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [1,1,0,0,0,0|0,0,1]=3 33 B10R0.26 CCOC(=O)CN(C)C(C)C CSC000227145 [1,1,0,0,0,0|2,0,0]=4 34 B10R0.34 CCOC(=O)CN(CC)CC CSC000224615 [1,1,0,0,0,0|2,0,0]=4 35 B12R0.69 CCOC(=O)C[C@@H](O)C(=O)OCC CSC016991751 [0,1,0,0,0,1|1,0,0]=3 36 B12R0.79 CCNC(=O)CNC(=O)C(C)SC CSC017406371 [0,1,0,0,0,1|2,0,0]=4 37 B12R0.79 CCOC(=O)CNC(=O)C(C)SC CSC019778198 [0,1,0,0,0,1|1,0,0]=3 38 B12R0.445 CCCS(=O)(=O)NCC(=O)NCC CSC011467994 [0,1,0,0,0,1|2,0,0]=4 39 B12R0.445 CCCS(=O)(=O)NCC(=O)OCC CSC011354238 [0,1,0,0,0,1|1,0,0]=3 40 B12R0.78 CCOC(=O)CC(=O)NC(C)(C)C CSC000058773 [0,2,0,0,0,0|1,0,0]=3 41 B12R0.428 CCCS(=O)(=O)CC(=O)NC(C)C CSC019172346 [0,2,0,0,0,0|2,0,0]=4 42 B12R0.744 CCNC(=O)CS(=O)(=O)CC(C)C CSC017088311 [0,2,0,0,0,0|2,0,0]=4 43 B12R0.453 CCCNC(=O)CS(=O)(=O)CCC CSC020383619 [0,2,0,0,0,0|2,0,0]=4 44 B12R0.731 CCOC(=O)C(C)(C)C(=O)OCC CSC000766729 [0,2,0,0,0,0|1,0,0]=3 45 B12R0.71 CCOC(=O)CC(=O)N(CC)CC CSC000058736 [0,2,0,0,0,0|1,0,0]=3 46 B12R0.430 CCCS(=O)(=O)CC(=O)N(C)CC CSC019839869 [0,2,0,0,0,0|2,0,0]=4 47 B10R1.11 CCNC(=O)C1CCCN1 CSC011197115 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.11 CCNC(=O)C1CCOC1 CSC011558105 [1,0,0,1,0,0|1,0,1]=4 49 B10R1.11 CCNC(=O)[C@@H]1CCCN1 CSC011422904 [1,0,0,1,0,0|2,0,0]=4 50 B10R1.11 CCOC(=O)C1=CCCC1 CSC009876662 [1,0,0,1,0,0|0,0,1]=3 51 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [1,0,0,1,0,0|1,0,0]=3 52 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [1,0,0,1,0,0|1,0,1]=4 53 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [1,0,0,1,0,0|0,0,1]=3 54 B10R1.27 COC(=O)CC1CCCC1 CSC000148925 [1,0,0,1,0,0|1,0,1]=4 55 B10R1.27 COC(=O)CC1CCCO1 CSC000244803 [1,0,0,1,0,0|0,0,2]=4 56 B10R1.131 CCCC1=NN(C(=O)C1)C CSC000175193 [1,0,0,1,0,0|2,0,0]=4 57 B10R1.149 COC(=O)C1CCCC1C CSC013347292 [1,0,0,1,0,0|1,0,1]=4 58 B10R1.140 CCOC(=O)C1CC(C1)C CSC009829402 [0,0,0,1,1,0|1,0,1]=4 59 B12R1.17 CCNC(=O)N1CCNC(=O)C1 CSC000235481 [0,0,0,1,0,1|2,0,0]=4 60 B12R1.51 CCCC(=O)NCC1CCCO1 CSC000158282 [0,0,0,1,0,1|1,0,1]=4 61 B12R1.51 CCCC(=O)OCC1CCCO1 CSC000006210 [0,0,0,1,0,1|1,0,1]=4 62 B12R1.51 CCOC(=O)CCC1CCCC1 CSC000170312 [0,0,0,1,0,1|1,0,1]=4 63 B12R1.51 CCOC(=O)CSC1=NCCS1 CSC018679252 [0,0,0,1,0,1|1,1,0]=4 64 B12R1.51 CCOC(=O)NN=C1CCCC1 CSC015438957 [0,0,0,1,0,1|2,0,0]=4 65 B12R1.318 CCNC(=O)CN1CCCC1=O CSC000193940 [0,0,0,1,0,1|1,0,0]=3 66 B12R1.318 CCOC(=O)CN1CCCC1=O CSC011212743 [0,0,0,1,0,1|0,0,0]=2 67 B12R1.32 CCOC(=O)CC1=CCCCC1 CSC011899744 [0,1,0,1,0,0|1,0,0]=3 68 B12R1.32 CCOC(=O)CC1CCCCC1 CSC000171474 [0,1,0,1,0,0|1,0,1]=4 69 B12R1.32 CCOC(=O)CC1CCOCC1 CSC011218914 [0,1,0,1,0,0|1,0,1]=4 70 B12R1.32 CCOC(=O)CN1CCOCC1 CSC000188100 [0,1,0,1,0,0|2,0,0]=4 71 B12R1.32 CCOC(=O)CN1CCSCC1 CSC011247055 [0,1,0,1,0,0|2,0,0]=4 72 B12R1.308 CCOC(=O)C1=C(OCCC1)C CSC000036422 [0,1,0,1,0,0|1,0,1]=4 73 B12R1.55 CCOC(=O)C(C)N1CCCC1 CSC011537669 [0,1,0,1,0,0|2,0,0]=4 74 B12R1.1579 CCOC(=O)C1CCN(C1=O)C CSC000103565 [0,1,0,1,0,0|1,0,0]=3 75 B12R2.3412 CCOC(=O)C1CC1C2CC2 CSC016231765 [0,0,0,2,0,0|1,0,1]=4 76 B12R0.285 CCOC(=O)CCCC(=O)OCC CSC000034583 [0,0,0,0,0,2|1,0,0]=3 77 B12R0.285 CCOC(=O)COCC(=O)OCC CSC000054109 [0,0,0,0,0,2|1,0,0]=3 78 B12R0.285 CCOC(=O)CSCC(=O)OCC CSC000172124 [0,0,0,0,0,2|1,0,0]=3