0 B13R0.2 CCCCCCCCCC(=O)OCC CSC011217761 [0,0,0,0,0,0|0,0,0]=0 1 B13R0.2 CCCCCCCCOC(=O)CCC CSC000047179 [0,0,0,0,0,0|2,0,0]=2 2 B13R0.2 CCCCOCCCNC(=O)CCN CSC011598422 [0,0,0,0,0,0|4,0,0]=4 3 B13R0.2 CCCCOCCCNC(=O)CNC CSC000225788 [0,0,0,0,0,0|4,0,0]=4 4 B12R0.1 CCCCCCCCC(=O)OCC CSC011218606 [1,0,0,0,0,0|0,0,0]=1 5 B12R0.1 CCCCCCCCS(=O)CCO CSC009995003 [1,0,0,0,0,0|3,0,0]=4 6 B12R0.1 CCCCOCCOC(=O)CCC CSC000053117 [1,0,0,0,0,0|3,0,0]=4 7 B12R0.5 CCCCCCCCCSCCO CSC011304840 [1,0,0,0,0,0|3,0,0]=4 8 B12R0.248 CCCCCCCCCC(=O)NN CSC011221126 [1,0,0,0,0,0|2,0,0]=3 9 B12R0.248 CCCCCCCCCC(=O)OC CSC011215519 [1,0,0,0,0,0|0,0,0]=1 10 B12R0.248 CCCCCCCCOC(=O)CC CSC000054043 [1,0,0,0,0,0|1,0,0]=2 11 B12R0.248 CCCCCCCSCC(=O)OC CSC000048336 [1,0,0,0,0,0|1,0,0]=2 12 B14R0.1 CCOC(=O)CCCCCC(=O)OCC CSC000034585 [0,1,0,0,0,0|1,0,1]=3 13 B14R0.1 CCOC(=O)CCCSCC(=O)OCC CSC000041369 [0,1,0,0,0,0|2,0,1]=4 14 B14R0.163 CCOC(=O)CCCNC(=O)CCCN CSC012108132 [0,1,0,0,0,0|2,0,1]=4 15 B14R0.163 CCOC(=O)CCCNC(=O)CCNC CSC012108138 [0,1,0,0,0,0|2,0,1]=4 16 B14R0.181 CCCCCCCCNC(=O)C(=O)NC CSC010776666 [0,1,0,0,0,0|3,0,0]=4 17 B14R0.393 CCCCCCCCCNC(=O)CC#N CSC010006857 [0,1,0,0,0,0|2,0,1]=4 18 B14R0.493 CCCCCCCCCC(=O)NCCO CSC011221072 [0,1,0,0,0,0|1,0,0]=2 19 B14R0.493 CCCCCCCCNC(=O)CCCC CSC010535684 [0,1,0,0,0,0|2,0,0]=3 20 B14R0.493 CCCCOCCCNC(=O)CCCN CSC011598423 [0,1,0,0,0,0|3,0,0]=4 21 B14R0.493 CCCCOCCCNC(=O)CCNC CSC013471386 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.263 CCOC(=O)C1CCCCN1CCN CSC013030127 [0,0,0,1,0,0|2,0,0]=3 23 B14R1.273 CCOC(=O)CN1CCCC1CNC CSC012985980 [0,0,0,1,0,0|2,0,0]=3 24 B14R1.598 CCOC(=O)CCN1CCNCC1C CSC010951974 [0,0,0,1,0,0|2,0,0]=3 25 B14R1.609 CCNC(=O)NCCOC1CCCC1 CSC011406892 [0,0,0,1,0,0|3,0,0]=4 26 B14R1.619 CCNC(=O)N1CCCCCC1CC CSC012140202 [0,0,0,1,0,0|2,0,0]=3 27 B14R1.965 CCOC(=O)CN1CCCCC1CC CSC000224124 [0,0,0,1,0,0|1,0,0]=2 28 B14R1.965 CCOC(=O)CN1CCCCC1CN CSC011552762 [0,0,0,1,0,0|2,0,0]=3 29 B14R1.6816 CCCCCCCCNC(=O)C1CC1 CSC013040397 [0,0,0,1,0,0|2,0,0]=3 30 B14R1.7146 CCOC(=O)CCN1CCCNCC1 CSC011472474 [0,0,0,1,0,0|2,0,0]=3 31 B14R1.7343 CCOC(=O)CN1CCCCCCC1 CSC000227866 [0,0,0,1,0,0|1,0,0]=2 32 B14R1.7343 CNCC(=O)NC1CCCCCCC1 CSC000168097 [0,0,0,1,0,0|3,0,0]=4 33 B14R1.7343 COCC(=O)NC1CCCCCCC1 CSC000160972 [0,0,0,1,0,0|3,0,0]=4 34 B11R0.4 CCCCCCOC(=O)CCC CSC000037829 [2,0,0,0,0,0|2,0,0]=4 35 B11R0.4 CCCCSCCC(=O)OCC CSC011325042 [2,0,0,0,0,0|1,0,0]=3 36 B11R0.40 CCCCCCCCC(=O)NN CSC011203378 [2,0,0,0,0,0|2,0,0]=4 37 B11R0.40 CCCCCCCCC(=O)OC CSC011215467 [2,0,0,0,0,0|0,0,0]=2 38 B11R0.40 CCCCCCCOC(=O)CC CSC000054044 [2,0,0,0,0,0|1,0,0]=3 39 B11R0.148 CCCCCCCCCC(=O)N CSC011216713 [2,0,0,0,0,0|1,0,0]=3 40 B13R0.66 CCCCCCCCS(=O)CCCO CSC010167664 [1,1,0,0,0,0|2,0,0]=4 41 B13R0.335 CCCCCCCCC(=O)NC(C)C CSC011203559 [1,1,0,0,0,0|1,0,0]=3 42 B13R0.335 CCCCCCCOC(=O)CC(C)C CSC000053820 [1,1,0,0,0,0|2,0,0]=4 43 B13R0.54 CCCCCCCCCCOC(=O)C CSC000031374 [1,1,0,0,0,0|0,0,2]=4 44 B13R0.150 CCCCCCCCCC(=O)N(C)C CSC011217813 [1,1,0,0,0,0|1,0,0]=3 45 B13R0.150 CCCCCCCCNC(=O)C(C)O CSC009992393 [1,1,0,0,0,0|1,0,0]=3 46 B13R0.150 CCCCOCCCNC(=O)C(C)N CSC011598424 [1,1,0,0,0,0|2,0,0]=4 47 B13R0.201 COC(=O)CCCCCCC(=O)OC CSC000032211 [1,1,0,0,0,0|1,0,1]=4 48 B15R0.1734 CCCC(N)C(=O)NCCCC(=O)OCC CSC005882272 [0,2,0,0,0,0|1,0,1]=4 49 B15R0.244 CCOC(=O)CCCNC(=O)CCCNC CSC005882268 [0,2,0,0,0,0|1,0,1]=4 50 B15R0.324 CCCCCCCCCNC(=O)C(=O)NC CSC047175229 [0,2,0,0,0,0|2,0,0]=4 51 B15R0.88 CCCCCCCCCC(=O)NCC(=O)O CSC011274597 [0,2,0,0,0,0|1,0,1]=4 52 B13R1.42 CCNC(=O)NCC1CCCCC1 CSC000163495 [1,0,0,1,0,0|2,0,0]=4 53 B13R1.42 CCOC(=O)CCC1CCCCC1 CSC000170578 [1,0,0,1,0,0|0,0,0]=2 54 B13R1.42 CCOC(=O)CCN1CCNCC1 CSC011218831 [1,0,0,1,0,0|2,0,0]=4 55 B13R1.42 CCOC(=O)CCN1CCOCC1 CSC000177610 [1,0,0,1,0,0|2,0,0]=4 56 B13R1.464 CCNC(=O)N1CCCCC1CC CSC000163204 [1,0,0,1,0,0|2,0,0]=4 57 B13R1.470 CCNC(=O)NC1CCCCC1C CSC000163756 [1,0,0,1,0,0|2,0,0]=4 58 B13R1.470 CCOC(=O)CN1CCCCC1C CSC000227853 [1,0,0,1,0,0|1,0,0]=3 59 B13R1.1464 CCOC(=O)C1CCCCCCC1 CSC012002886 [1,0,0,1,0,0|0,0,0]=2 60 B13R1.1575 CCNC(=O)NC1CCCCCC1 CSC000163668 [1,0,0,1,0,0|2,0,0]=4 61 B13R1.1575 CCOC(=O)CC1CCCCCC1 CSC011830452 [1,0,0,1,0,0|0,0,0]=2 62 B13R1.1575 CCOC(=O)CN1CCCCCC1 CSC000223717 [1,0,0,1,0,0|1,0,0]=3 63 B13R1.91 CCC1CCCCC1NC(=O)NC CSC011276899 [1,0,0,1,0,0|2,0,0]=4 64 B13R1.382 CCCC1CCCCN1C(=O)NC CSC013373004 [1,0,0,1,0,0|2,0,0]=4 65 B13R1.528 CNC(=O)NCC1CCCCC1C CSC011500114 [1,0,0,1,0,0|2,0,0]=4 66 B13R1.528 COC(=O)CCN1CCCCC1C CSC000176925 [1,0,0,1,0,0|1,0,0]=3 67 B13R1.536 CCC(=O)NCCCN1CCCC1 CSC000207326 [1,0,0,1,0,0|2,0,0]=4 68 B13R1.611 CCC1CCCCCN1C(=O)CC CSC012138984 [1,0,0,1,0,0|1,0,0]=3 69 B13R1.718 COC(=O)CCCN1CCCCC1 CSC011293852 [1,0,0,1,0,0|1,0,0]=3 70 B13R1.718 COC(=O)CCCN1CCOCC1 CSC011293841 [1,0,0,1,0,0|2,0,0]=4 71 B13R1.718 COC(=O)CCCN1CCSCC1 CSC011293871 [1,0,0,1,0,0|2,0,0]=4 72 B13R1.1711 COC(=O)CCN1CCCCCC1 CSC000177403 [1,0,0,1,0,0|1,0,0]=3 73 B13R1.1870 CCC(=O)NC1CCCCCCC1 CSC000160969 [1,0,0,1,0,0|1,0,0]=3 74 B15R1.795 CCNC(=O)NCCCOC1CCCC1 CSC061378027 [0,1,0,1,0,0|2,0,0]=4 75 B15R1.795 CNCC(=O)NCCCCC1CCCC1 CSC056822032 [0,1,0,1,0,0|2,0,0]=4 76 B15R1.795 NCCC(=O)NCCCCC1CCCC1 CSC057291510 [0,1,0,1,0,0|2,0,0]=4 77 B15R1.9453 CCOC(=O)CN1CCCC(C1)CCN CSC011972813 [0,1,0,1,0,0|2,0,0]=4 78 B15R1.9453 CCOC(=O)CN1CCCC(C1)CNC CSC011429478 [0,1,0,1,0,0|2,0,0]=4 79 B15R1.10365 CCNC(=O)CCN1CCCC(CC1)O CSC018225006 [0,1,0,1,0,0|2,0,0]=4 80 B15R1.11 CCOC(=O)CCCN1CCN(CC1)C CSC000020863 [0,1,0,1,0,0|2,0,0]=4 81 B15R1.27 CCOC(=O)CNC1CCCC(C1C)C CSC000221410 [0,1,0,1,0,0|1,0,0]=3 82 B15R1.16078 CCOC(=O)CN(C)C1CCCNCC1 CSC014185192 [0,1,0,1,0,0|2,0,0]=4 83 B15R1.1039 CCOC(=O)C1CCCN(C1)CCCN CSC011220246 [0,1,0,1,0,0|2,0,0]=4 84 B15R1.778 CCNC(=O)NCCCC1CCCCO1 CSC061014528 [0,1,0,1,0,0|2,0,0]=4 85 B15R1.778 CCOC(=O)CSCCN1CCCCC1 CSC047626562 [0,1,0,1,0,0|1,0,0]=3 86 B15R1.778 CNCC(=O)NCCCC1CCCCC1 CSC017421860 [0,1,0,1,0,0|2,0,0]=4 87 B15R1.778 NCCC(=O)NCCCC1CCCCC1 CSC022268857 [0,1,0,1,0,0|2,0,0]=4 88 B15R1.1220 CNCCC(=O)NCCCC1CCCC1 CSC014424605 [0,1,0,1,0,0|2,0,0]=4 89 B15R1.1220 NCCCC(=O)NCCCC1CCCC1 CSC012916668 [0,1,0,1,0,0|2,0,0]=4 90 B15R1.1220 OCCNC(=O)NCCCC1CCCC1 CSC060799904 [0,1,0,1,0,0|2,0,0]=4 91 B15R1.1252 CC1CCCCC1CCNC(=O)CCN CSC057382487 [0,1,0,1,0,0|2,0,0]=4 92 B15R1.1252 CNCC(=O)NCCC1CCCCC1C CSC057466619 [0,1,0,1,0,0|2,0,0]=4 93 B15R1.588 CCCC1CCCCN1C(=O)[C@@H](N)CC CSC013158551 [0,1,0,1,0,0|2,0,0]=4 94 B15R1.1147 CC[C@H](N)C(=O)NC1CCCCC1CC CSC012363928 [0,1,0,1,0,0|2,0,0]=4 95 B15R1.1321 CCN(C)C(=O)CNCC1CCCCC1 CSC011292849 [0,1,0,1,0,0|2,0,0]=4 96 B15R1.1321 CC[C@H](N)C(=O)NCCC1CCCCC1 CSC012363991 [0,1,0,1,0,0|2,0,0]=4 97 B15R1.1323 CCN(C)C(=O)CNC1CCCCC1C CSC011289629 [0,1,0,1,0,0|2,0,0]=4 98 B15R1.1323 CC[C@H](N)C(=O)NCC1CCCCC1C CSC012364466 [0,1,0,1,0,0|2,0,0]=4 99 B15R1.2792 CCN(C)C(=O)CNC1CCCCCC1 CSC011289649 [0,1,0,1,0,0|2,0,0]=4 100 B15R1.89 CCOC(=O)CCN(C)C1CCNCC1 CSC011473602 [0,1,0,1,0,0|2,0,0]=4 101 B15R1.89 CCOC(=O)CNC(=O)C1CCCCC1 CSC000170698 [0,1,0,1,0,0|1,0,1]=4 102 B15R1.89 CCOC(=O)CNC(=O)C1CCCCC1 CSC000170698 [0,1,0,1,0,0|1,0,1]=4 103 B15R1.796 CCOC(=O)CNC(=O)CC1CCCC1 CSC011354115 [0,1,0,1,0,0|1,0,1]=4 104 B15R1.130 CC(C)NC(=O)CNC1CCCCC1C CSC000176246 [0,1,0,1,0,0|2,0,0]=4 105 B15R1.130 CC(N)CC(=O)NCC1CCCCC1C CSC011512695 [0,1,0,1,0,0|2,0,0]=4 106 B15R1.254 CC(C)NC(=O)CCNC1CCCC1C CSC011836930 [0,1,0,1,0,0|2,0,0]=4 107 B15R1.271 CCCC1CCCCN1C(=O)CC(C)N CSC013158547 [0,1,0,1,0,0|2,0,0]=4 108 B15R1.1124 CCC1CCCCCN1C(=O)CC(C)N CSC012933163 [0,1,0,1,0,0|2,0,0]=4 109 B15R1.1145 CCC1CCCCC1NC(=O)CC(C)N CSC011357315 [0,1,0,1,0,0|2,0,0]=4 110 B15R1.9084 CC(C)NC(=O)CCNC1CCCCC1 CSC011276592 [0,1,0,1,0,0|2,0,0]=4 111 B15R1.9084 CC(C)NC(=O)CNCC1CCCCC1 CSC000176422 [0,1,0,1,0,0|2,0,0]=4 112 B15R1.9084 CC(N)CC(=O)NCCC1CCCCC1 CSC011373143 [0,1,0,1,0,0|2,0,0]=4 113 B15R1.22532 CC(C)NC(=O)CNC1CCCCCC1 CSC000176602 [0,1,0,1,0,0|2,0,0]=4 114 B15R1.22585 CC(C)CC(=O)NC1CCCCCCC1 CSC042392289 [0,1,0,1,0,0|2,0,0]=4 115 B15R1.843 CCOC(=O)C1CCCCN1CCC#N CSC000177105 [0,1,0,1,0,0|1,0,1]=4 116 B15R1.854 CCCCC1CCCC1NC(=O)CCN CSC057720406 [0,1,0,1,0,0|2,0,0]=4 117 B15R1.854 CCCCC1CCCC1NC(=O)CNC CSC057289441 [0,1,0,1,0,0|2,0,0]=4 118 B15R1.854 CCCCC1CCCC1NC(=O)NCC CSC025953199 [0,1,0,1,0,0|1,0,0]=3 119 B15R1.854 CCNC(=O)CN1CCCC1CCCO CSC011682830 [0,1,0,1,0,0|2,0,0]=4 120 B15R1.3880 CCCC1CNCCN1CC(=O)NCC CSC056982864 [0,1,0,1,0,0|2,0,0]=4 121 B15R1.3880 CCNC(=O)CN1CCCCC1CCN CSC011919237 [0,1,0,1,0,0|2,0,0]=4 122 B15R1.3880 CCNC(=O)CN1CCCCC1CCO CSC000228438 [0,1,0,1,0,0|2,0,0]=4 123 B15R1.3880 CCOC(=O)CN1CCCCC1CCN CSC011972623 [0,1,0,1,0,0|1,0,0]=3 124 B15R1.9209 CCOC(=O)[C@H]1CCCN1CCCC#N CSC061738427 [0,1,0,1,0,0|1,0,1]=4 125 B15R1.1274 CCNC(=O)CN1CCCCC1C(C)N CSC011833809 [0,1,0,1,0,0|2,0,0]=4 126 B15R1.1274 CCOC(=O)CN1CCCCC1C(C)N CSC011833806 [0,1,0,1,0,0|1,0,0]=3 127 B15R1.1280 CCNC(=O)CN1CCCC1CC(C)O CSC013021723 [0,1,0,1,0,0|2,0,0]=4 128 B15R1.3866 CCOC(=O)CNC1CCNCC1(C)C CSC014567179 [0,1,0,1,0,0|2,0,0]=4 129 B15R1.157 CCCNC(=O)CNCC1CCCCC1 CSC000202852 [0,1,0,1,0,0|2,0,0]=4 130 B15R1.157 CCOCC(=O)NCCC1CCCNC1 CSC011368820 [0,1,0,1,0,0|2,0,0]=4 131 B15R1.157 CNCCC(=O)NCCC1CCCCC1 CSC011534944 [0,1,0,1,0,0|2,0,0]=4 132 B15R1.157 NCCCC(=O)NCCC1CCCCC1 CSC011373136 [0,1,0,1,0,0|2,0,0]=4 133 B15R1.157 NCCNC(=O)CCCC1CCCCC1 CSC018582412 [0,1,0,1,0,0|1,0,0]=3 134 B15R1.157 O=C(CCCC1CCCCC1)NCC#N CSC024071852 [0,1,0,1,0,0|1,0,1]=4 135 B15R1.157 OCCNC(=O)CCCC1CCOCC1 CSC060799896 [0,1,0,1,0,0|2,0,0]=4 136 B15R1.1207 CCOCC(=O)N[C@@H]1CCCCC[C@H]1O CSC059633844 [0,1,0,1,0,0|2,0,0]=4 137 B15R1.1208 CC1CCCCC1CNC(=O)NCCO CSC043350452 [0,1,0,1,0,0|2,0,0]=4 138 B15R1.1208 CC1CCCCC1OCC(=O)NCCN CSC011429805 [0,1,0,1,0,0|2,0,0]=4 139 B15R1.1208 CC1CCCCC1OCC(=O)NCCO CSC061120397 [0,1,0,1,0,0|2,0,0]=4 140 B15R1.1208 CCCNC(=O)CNC1CCCCC1C CSC000202848 [0,1,0,1,0,0|2,0,0]=4 141 B15R1.1208 CNCCC(=O)NCC1CCCCC1C CSC011535183 [0,1,0,1,0,0|2,0,0]=4 142 B15R1.1240 CCCC1CCCCN1C(=O)CCNC CSC013158545 [0,1,0,1,0,0|2,0,0]=4 143 B15R1.1240 CCCC1CNCCN1C(=O)COCC CSC057281919 [0,1,0,1,0,0|2,0,0]=4 144 B15R1.1240 CCOCC(=O)N1CCCCC1CCN CSC011917735 [0,1,0,1,0,0|2,0,0]=4 145 B15R1.2207 CCCNC(=O)CNC1CCCCCC1 CSC000202833 [0,1,0,1,0,0|2,0,0]=4 146 B15R1.2207 NCCNC(=O)NCC1CCCCCC1 CSC060602264 [0,1,0,1,0,0|2,0,0]=4 147 B15R1.2207 OCCNC(=O)NCC1CCCCCC1 CSC059577004 [0,1,0,1,0,0|2,0,0]=4 148 B15R1.2427 CCOCC(=O)NC1CCCC1CCO CSC060756655 [0,1,0,1,0,0|2,0,0]=4 149 B15R1.2430 CCCNC(=O)NC1CCCCCCC1 CSC000163633 [0,1,0,1,0,0|2,0,0]=4 150 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 CSC000160973 [0,1,0,1,0,0|1,0,0]=3 151 B15R1.5925 CCC1CCCCC1NC(=O)CCNC CSC011534912 [0,1,0,1,0,0|2,0,0]=4 152 B15R1.5925 CCC1CCCCC1NC(=O)NCCO CSC036824742 [0,1,0,1,0,0|2,0,0]=4 153 B15R1.5925 CCCNC(=O)CN1CCCCC1CC CSC026665940 [0,1,0,1,0,0|2,0,0]=4 154 B15R1.5925 CCOCC(=O)NC1CCCCC1CN CSC012366451 [0,1,0,1,0,0|2,0,0]=4 155 B15R1.5925 CCOCC(=O)NC1CCCCC1CO CSC012922042 [0,1,0,1,0,0|2,0,0]=4 156 B15R1.794 CCOC(=O)CCNC(=O)C1CCCC1 CSC011294782 [0,1,0,1,0,0|1,0,1]=4 157 B15R2.31 O=C1CN(CCN1)CC2CCCCC2 CSC046133712 [0,0,0,2,0,0|2,0,0]=4 158 B15R2.17340 CCNC(=O)N1CCCC2C1CCC2 CSC012477547 [0,0,0,2,0,0|2,0,0]=4 159 B15R2.1371 CCNC(=O)NC1CC12CCCCC2 CSC015786470 [0,0,0,2,0,0|2,0,0]=4 160 B15R2.1356 CCNC(=O)N1CC2CCCCC2C1 CSC016027208 [0,0,0,2,0,0|2,0,0]=4 161 B15R2.1356 CCNC(=O)N1C[C@H]2CCCC[C@H]2C1 [0,0,0,2,0,0|2,0,0]=4 162 B15R2.17289 CCNC(=O)NCC1CC2CCC1C2 CSC011742947 [0,0,0,2,0,0|2,0,0]=4 163 B15R2.17426 CCNC(=O)N1CCCC1C2CCC2 CSC023343866 [0,0,0,2,0,0|2,0,0]=4 164 B15R2.21175 CCC1CCCCCN1C(=O)C2CC2 CSC012138985 [0,0,0,2,0,0|2,0,0]=4 165 B15R2.74812 CCOC(=O)C1C2C1CCCCCC2 CSC009855927 [0,0,0,2,0,0|0,0,0]=2 166 B15R2.69936 O=C(NC1CCCCCCC1)C2CC2 CSC000160970 [0,0,0,2,0,0|2,0,0]=4