0 B11R0.148 CCCCCCCCCC(=O)N CSC011216713 [0,0,0,0,0,0|2,0,0]=2 1 B11R0.148 CCOCCOCCOC(=O)C CSC000032835 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.4 CC(=O)OCCCCCC=C CSC000037147 [1,0,0,0,0,0|0,0,2]=3 3 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [1,0,0,0,0,0|1,0,0]=2 4 B10R0.4 CCCCCCCNC(=O)N CSC009878357 [1,0,0,0,0,0|2,0,0]=3 5 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [1,0,0,0,0,0|0,0,0]=1 6 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [1,0,0,0,0,0|1,0,0]=2 7 B10R0.4 COCCOCCOC(=O)C CSC000062832 [1,0,0,0,0,0|2,0,0]=3 8 B12R0.234 CCCCCCCCCOC(=O)C CSC000210669 [0,1,0,0,0,0|0,0,0]=1 9 B12R0.234 CCCCCCCCSCC(=O)N CSC046179943 [0,1,0,0,0,0|1,1,0]=3 10 B12R0.248 CCCCCCCCCC(=O)NN CSC011221126 [0,1,0,0,0,0|2,0,0]=3 11 B12R0.248 CCCCCCCCCC(=O)OC CSC011215519 [0,1,0,0,0,0|1,0,0]=2 12 B12R0.248 CCCCCCCCOC(=O)CC CSC000054043 [0,1,0,0,0,0|0,0,0]=1 13 B12R0.248 CCCCCCCSCC(=O)OC CSC000048336 [0,1,0,0,0,0|2,0,0]=3 14 B12R0.268 CC(=O)OCCCCCOC(=O)C CSC000031416 [0,1,0,0,0,0|1,0,1]=3 15 B12R0.268 CC(=O)OCCOCCOC(=O)C CSC000029468 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.75 CCC1CCCCC1NC(=O)C CSC011265613 [0,0,0,1,0,0|1,0,0]=2 17 B12R1.125 CC1CC=CCC1COC(=O)C CSC000026606 [0,0,0,1,0,0|0,0,2]=3 18 B12R1.125 CC1CCCCC1CNC(=O)C CSC011500032 [0,0,0,1,0,0|1,0,0]=2 19 B12R1.125 CC1CCCCN1CCC(=O)O CSC000727554 [0,0,0,1,0,0|3,0,0]=4 20 B12R1.125 CC1COCCC1CNC(=O)C CSC015246556 [0,0,0,1,0,0|2,0,0]=3 21 B12R1.252 CC(=O)NCCC1=CCCCC1 CSC000192970 [0,0,0,1,0,0|1,0,2]=4 22 B12R1.252 CC(=O)NCCC1CCNCC1 CSC011370063 [0,0,0,1,0,0|2,0,0]=3 23 B12R1.252 CC(=O)OCCC1CCCCC1 CSC009881819 [0,0,0,1,0,0|0,0,0]=1 24 B12R1.252 NC(=O)CCCC1CCCCC1 CSC000162275 [0,0,0,1,0,0|2,0,0]=3 25 B12R1.255 CC(=O)NCCCN1CCCC1 CSC000207323 [0,0,0,1,0,0|2,0,0]=3 26 B12R1.283 CC(=O)N1CCCCC1CCN CSC011917731 [0,0,0,1,0,0|2,0,0]=3 27 B12R1.283 CC(=O)N1CCCCC1CCO CSC011241323 [0,0,0,1,0,0|2,0,0]=3 28 B12R1.283 CC(=O)N1CCSCC1CCO CSC016129534 [0,0,0,1,0,0|3,0,0]=4 29 B12R1.321 CCCCN1CCCOC(C1)C CSC016025826 [0,0,0,1,0,0|2,0,1]=4 30 B12R1.1343 CC(=O)NN=C1CCCCCC1 CSC015302021 [0,0,0,1,0,0|2,0,1]=4 31 B12R1.1392 CC(=O)NC1CCCCCCC1 CSC000160966 [0,0,0,1,0,0|1,0,0]=2 32 B12R1.1392 NC(=O)NC1CCCCCCC1 CSC000238964 [0,0,0,1,0,0|2,0,0]=3 33 B9R0.2 CCC=CCCOC(=O)C CSC015190845 [2,0,0,0,0,0|0,0,2]=4 34 B9R0.2 CCCCCCCC(=O)N CSC011216093 [2,0,0,0,0,0|1,0,0]=3 35 B9R0.2 CCCCCCOC(=O)C CSC000032130 [2,0,0,0,0,0|0,0,0]=2 36 B9R0.2 CCOCCCNC(=O)C CSC000161218 [2,0,0,0,0,0|2,0,0]=4 37 B9R0.45 CCCCSCCOCC CSC000053094 [2,0,0,0,0,0|1,0,1]=4 38 B9R0.45 CSCCCCCCSC CSC000036278 [2,0,0,0,0,0|1,1,0]=4 39 B11R0.30 CC(=O)OCCCCOC(=O)C CSC000036494 [1,1,0,0,0,0|1,0,1]=4 40 B11R0.40 CCCCCCCCC(=O)NN CSC011203378 [1,1,0,0,0,0|1,0,0]=3 41 B11R0.40 CCCCCCCCC(=O)OC CSC011215467 [1,1,0,0,0,0|0,0,0]=2 42 B11R0.40 CCCCCCCOC(=O)CC CSC000054044 [1,1,0,0,0,0|0,0,0]=2 43 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [1,1,0,0,0,0|1,0,1]=4 44 B11R0.159 CCCCCCCNS(=O)(=O)C CSC009866289 [1,1,0,0,0,0|2,0,0]=4 45 B11R0.176 CCCC(=O)OCCCC(=O)C CSC000031040 [1,1,0,0,0,0|1,0,1]=4 46 B11R0.3 CCCCCSCCOCCO CSC011997630 [1,1,0,0,0,0|1,0,1]=4 47 B13R0.54 CCCCCCCCCCNC(=O)N CSC012710775 [0,2,0,0,0,0|2,0,0]=4 48 B13R0.54 CCCCCCCCCCOC(=O)C CSC000031374 [0,2,0,0,0,0|0,0,0]=2 49 B13R0.54 CCCCCCCCSCCC(=O)N CSC010587829 [0,2,0,0,0,0|1,1,0]=4 50 B13R0.119 CCCCC(C)NCCCOC(C)C CSC011340412 [0,2,0,0,0,0|1,0,1]=4 51 B13R0.147 CCCCCCCCCCC(=O)NN CSC000048412 [0,2,0,0,0,0|2,0,0]=4 52 B13R0.147 CCCCCCCCCCC(=O)OC CSC011215520 [0,2,0,0,0,0|1,0,0]=3 53 B13R0.150 CCCCCCCCCC(=O)N(C)C CSC011217813 [0,2,0,0,0,0|1,0,0]=3 54 B13R0.150 CCCCCCCCNC(=O)C(C)O CSC009992393 [0,2,0,0,0,0|1,0,0]=3 55 B13R0.150 CCCCOCCCNC(=O)C(C)N CSC011598424 [0,2,0,0,0,0|2,0,0]=4 56 B13R0.179 CC(=O)NCCCCCCNC(=O)C CSC000013527 [0,2,0,0,0,0|1,0,1]=4 57 B13R0.179 CC(=O)OCCCCCCOC(=O)C CSC000038373 [0,2,0,0,0,0|0,0,1]=3 58 B13R0.2 CCCCCCCCCC(=O)OCC CSC011217761 [0,2,0,0,0,0|1,0,0]=3 59 B13R0.2 CCCCCCCCOC(=O)CCC CSC000047179 [0,2,0,0,0,0|0,0,0]=2 60 B13R0.2 CCCCOCCCNC(=O)CCN CSC011598422 [0,2,0,0,0,0|2,0,0]=4 61 B13R0.2 CCCCOCCCNC(=O)CNC CSC000225788 [0,2,0,0,0,0|2,0,0]=4 62 B13R0.340 CCCCCCCNC(=O)C(=O)NC CSC010776665 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.53 CC(=O)N1CCCCC1CN CSC011552701 [1,0,0,1,0,0|2,0,0]=4 64 B11R1.53 CCC1CCCCN1C(=O)N CSC000748989 [1,0,0,1,0,0|2,0,0]=4 65 B11R1.57 CC(=O)NC1CCCC1CN CSC011781717 [1,0,0,1,0,0|2,0,0]=4 66 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1O CSC013036222 [1,0,0,1,0,0|2,0,0]=4 67 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1O CSC013036315 [1,0,0,1,0,0|2,0,0]=4 68 B11R1.86 CC1CCCCC1CC(=O)N CSC000055404 [1,0,0,1,0,0|1,0,0]=3 69 B11R1.86 CC1CCCCC1NC(=O)N CSC000184843 [1,0,0,1,0,0|2,0,0]=4 70 B11R1.86 CC1CCCCN1CC(=C)C CSC046267867 [1,0,0,1,0,0|2,0,0]=4 71 B11R1.86 CC1CCCCN1CC(=O)C CSC000180633 [1,0,0,1,0,0|1,0,0]=3 72 B11R1.86 CC1CCCCN1CC(=O)N CSC000174848 [1,0,0,1,0,0|2,0,0]=4 73 B11R1.90 CC(=O)NCC1CCCC1O CSC012367623 [1,0,0,1,0,0|2,0,0]=4 74 B11R1.91 CC(=O)NCC1CCCCC1 CSC000159420 [1,0,0,1,0,0|1,0,0]=3 75 B11R1.91 CC(=O)NCC1CCCNC1 CSC011207013 [1,0,0,1,0,0|2,0,0]=4 76 B11R1.91 CC(=O)NCC1CCNCC1 CSC011206997 [1,0,0,1,0,0|2,0,0]=4 77 B11R1.91 CC(=O)OCC1CCCCC1 CSC000000618 [1,0,0,1,0,0|0,0,0]=2 78 B11R1.91 CC(=O)OCC1CCCCO1 CSC000006128 [1,0,0,1,0,0|1,0,0]=3 79 B11R1.91 NC(=O)CCC1CCCCC1 CSC000162346 [1,0,0,1,0,0|1,0,0]=3 80 B11R1.91 NC(=O)CCC1CCNCC1 CSC000695769 [1,0,0,1,0,0|2,0,0]=4 81 B11R1.91 NC(=O)CSC1CCCCC1 CSC000149379 [1,0,0,1,0,0|2,0,0]=4 82 B11R1.193 CNCC1CCCN1C(=O)C CSC012662834 [1,0,0,1,0,0|2,0,0]=4 83 B11R1.742 CC(=O)NC1CCCCCC1 CSC000161067 [1,0,0,1,0,0|1,0,0]=3 84 B11R1.742 NC(=O)CC1CCCCCC1 CSC012282423 [1,0,0,1,0,0|1,0,0]=3 85 B11R1.742 NC(=O)NC1CCCCCC1 CSC000238987 [1,0,0,1,0,0|2,0,0]=4 86 B13R1.337 CC(=O)NCCCN1CCCCC1 CSC000207118 [0,1,0,1,0,0|1,0,0]=3 87 B13R1.337 CC(=O)NCCCN1CCOCC1 CSC000159220 [0,1,0,1,0,0|2,0,0]=4 88 B13R1.4012 CCCC1C(CCCN1C(=O)C)C CSC015417601 [0,1,0,1,0,0|1,0,0]=3 89 B13R1.100 CCC1CCCC1CNS(=O)(=O)C CSC047798870 [0,1,0,1,0,0|2,0,0]=4 90 B13R1.157 CC1CCCCC1CNS(=O)(=O)C CSC011506170 [0,1,0,1,0,0|2,0,0]=4 91 B13R1.381 CCCC1CCCCN1S(=O)(=O)C CSC013158822 [0,1,0,1,0,0|2,0,0]=4 92 B13R1.622 CCC1CCCCC1NS(=O)(=O)C CSC011275984 [0,1,0,1,0,0|2,0,0]=4 93 B13R1.3523 CS(=O)(=O)NCCC1CCCCC1 CSC011255690 [0,1,0,1,0,0|2,0,0]=4 94 B13R1.6279 CS(=O)(=O)NC1CCCCCCC1 CSC000169700 [0,1,0,1,0,0|2,0,0]=4 95 B13R1.90 CCC1CCCCN1CCC(=O)O CSC015187846 [0,1,0,1,0,0|2,0,0]=4 96 B13R1.1022 CC(=O)NN=C1CCCCCCC1 CSC000004136 [0,1,0,1,0,0|1,0,1]=4 97 B13R1.1022 OC(=O)CCN1CCCCCCC1 CSC015187237 [0,1,0,1,0,0|2,0,0]=4 98 B13R1.91 CCC1CCCCC1NC(=O)NC CSC011276899 [0,1,0,1,0,0|1,0,0]=3 99 B13R1.382 CCCC1CCCCN1C(=O)NC CSC013373004 [0,1,0,1,0,0|1,0,0]=3 100 B13R1.393 CCSC1CCCC1NC(=O)CN CSC012919081 [0,1,0,1,0,0|2,0,0]=4 101 B13R1.528 CNC(=O)NCC1CCCCC1C CSC011500114 [0,1,0,1,0,0|1,0,0]=3 102 B13R1.528 COC(=O)CCN1CCCCC1C CSC000176925 [0,1,0,1,0,0|2,0,0]=4 103 B13R1.536 CCC(=O)NCCCN1CCCC1 CSC000207326 [0,1,0,1,0,0|2,0,0]=4 104 B13R1.611 CCC1CCCCCN1C(=O)CC CSC012138984 [0,1,0,1,0,0|1,0,0]=3 105 B13R1.718 COC(=O)CCCN1CCCCC1 CSC011293852 [0,1,0,1,0,0|2,0,0]=4 106 B13R1.1711 COC(=O)CCN1CCCCCC1 CSC000177403 [0,1,0,1,0,0|2,0,0]=4 107 B13R1.1870 CCC(=O)NC1CCCCCCC1 CSC000160969 [0,1,0,1,0,0|1,0,0]=3 108 B13R1.8682 CC1(CCCCCC1)CNC(=O)N CSC015525790 [0,1,0,1,0,0|2,0,0]=4 109 B13R2.5551 CC(=O)OCC1CC2CCC1C2 CSC000026639 [0,0,0,2,0,0|0,0,0]=2 110 B13R2.423 NC(=O)C1CC1C2CCCCC2 CSC015437576 [0,0,0,2,0,0|2,0,0]=4