0 B12R0.234 CCCCCCCCCOC(=O)C CSC000210669 [0,0,0,0,0,0|2,0,0]=2 1 B12R0.234 CCCCCCCCSCC(=O)N CSC046179943 [0,0,0,0,0,0|2,0,0]=2 2 B11R0.3 CCCCCSCCOCCO CSC011997630 [1,0,0,0,0,0|2,0,1]=4 3 B11R0.148 CCCCCCCCCC(=O)N CSC011216713 [1,0,0,0,0,0|1,0,0]=2 4 B13R0.1 CCCCOCC(=O)NCCC(=O)O CSC012904886 [0,1,0,0,0,0|2,0,1]=4 5 B13R0.1 CCOCCCC(=O)NCCC(=O)O CSC011593163 [0,1,0,0,0,0|2,0,1]=4 6 B13R0.1 COCCCCC(=O)NCCC(=O)O CSC019947150 [0,1,0,0,0,0|2,0,1]=4 7 B13R0.1 CSCCCCC(=O)NCCC(=O)O CSC018722141 [0,1,0,0,0,0|2,0,1]=4 8 B13R0.54 CCCCCCCCCCNC(=O)N CSC012710775 [0,1,0,0,0,0|1,0,0]=2 9 B13R0.54 CCCCCCCCCCOC(=O)C CSC000031374 [0,1,0,0,0,0|1,0,0]=2 10 B13R0.54 CCCCCCCCSCCC(=O)N CSC010587829 [0,1,0,0,0,0|1,0,0]=2 11 B13R0.88 CCCC(=O)NCCCCCC(=O)O CSC000205554 [0,1,0,0,0,0|1,0,1]=3 12 B13R0.88 COCC(=O)NCCCCCC(=O)O CSC000194437 [0,1,0,0,0,0|2,0,1]=4 13 B13R0.119 CCCCC(=O)NCCCCC(=O)O CSC011593354 [0,1,0,0,0,0|1,0,1]=3 14 B13R0.119 CCCCC(=O)NCCOCC(=O)O CSC012580414 [0,1,0,0,0,0|2,0,1]=4 15 B13R0.119 CCCCC(=O)NCCSCC(=O)O CSC012905713 [0,1,0,0,0,0|2,0,1]=4 16 B13R0.119 CCOCC(=O)NCCCCC(=O)O CSC011973645 [0,1,0,0,0,0|2,0,1]=4 17 B13R0.119 COCCC(=O)NCCCCC(=O)O CSC011973646 [0,1,0,0,0,0|2,0,1]=4 18 B13R0.147 CCCCCCCCCCC(=O)NN CSC000048412 [0,1,0,0,0,0|1,0,0]=2 19 B13R0.147 CCCCCCCCCCC(=O)OC CSC011215520 [0,1,0,0,0,0|0,0,0]=1 20 B13R0.154 CCCCCCNC(=O)CCC(=O)O CSC000199496 [0,1,0,0,0,0|1,0,1]=3 21 B13R0.154 CCCCSCCC(=O)NCC(=O)O CSC012904602 [0,1,0,0,0,0|2,0,1]=4 22 B13R0.179 NC(=O)CCCCCCCCC(=O)N CSC000063359 [0,1,0,0,0,0|2,0,1]=4 23 B13R0.188 CCCCCC(=O)NCCCC(=O)O CSC000244082 [0,1,0,0,0,0|1,0,1]=3 24 B13R0.188 CCCOCC(=O)NCCCC(=O)O CSC012904428 [0,1,0,0,0,0|2,0,1]=4 25 B13R0.188 CCCSCC(=O)NCCCC(=O)O CSC012904421 [0,1,0,0,0,0|2,0,1]=4 26 B13R0.188 CCOCCC(=O)NCCCC(=O)O CSC011274717 [0,1,0,0,0,0|2,0,1]=4 27 B13R0.188 COCCCC(=O)NCCCC(=O)O CSC011593005 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.90 CCC1CCCCN1CCC(=O)O CSC015187846 [0,0,0,1,0,0|1,0,0]=2 29 B13R1.158 CC1CSCCN1CCCC(=O)O CSC011976763 [0,0,0,1,0,0|2,0,0]=3 30 B13R1.337 CC(=O)NCCCN1CCCCC1 CSC000207118 [0,0,0,1,0,0|3,0,0]=4 31 B13R1.343 NC(=O)CCSCCC1CCCO1 CSC020046681 [0,0,0,1,0,0|3,0,0]=4 32 B13R1.392 CSCC1CCCN1CCC(=O)O CSC018911493 [0,0,0,1,0,0|2,0,0]=3 33 B13R1.610 CCC1CCCCCN1CC(C)O CSC013391067 [0,0,0,1,0,0|2,0,1]=4 34 B13R1.610 CCC1CCCCCN1C[C@H](C)O CSC013391117 [0,0,0,1,0,0|2,0,1]=4 35 B13R1.610 CCN1CCCCCC1CC(C)O CSC013644422 [0,0,0,1,0,0|2,0,1]=4 36 B13R1.670 CCSCCN1CCCC1C(=O)O CSC012934726 [0,0,0,1,0,0|2,0,0]=3 37 B13R1.670 CCSCCN1CCC[C@H]1C(=O)O CSC042345213 [0,0,0,1,0,0|2,0,0]=3 38 B13R1.1022 OC(=O)CCN1CCCCCCC1 CSC015187237 [0,0,0,1,0,0|1,0,0]=2 39 B10R0.71 CCCCCCCSCCO CSC011304838 [2,0,0,0,0,0|1,0,0]=3 40 B10R0.71 CCCCSCCOCCO CSC011409991 [2,0,0,0,0,0|2,0,0]=4 41 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [2,0,0,0,0,0|2,0,0]=4 42 B10R0.4 CCCCCCCNC(=O)N CSC009878357 [2,0,0,0,0,0|2,0,0]=4 43 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [2,0,0,0,0,0|2,0,0]=4 44 B12R0.1 CCCCCCCCS(=O)CCO CSC009995003 [1,1,0,0,0,0|1,0,1]=4 45 B12R0.5 CCCCCCCCCSCCO CSC011304840 [1,1,0,0,0,0|0,0,1]=3 46 B12R0.5 CCCCCCCCSCCC#N CSC009848894 [1,1,0,0,0,0|1,0,1]=4 47 B12R0.5 CCCCCCSCCOCCO CSC019110770 [1,1,0,0,0,0|1,0,1]=4 48 B12R0.206 CCCCCCCC(C)NCCO CSC000713784 [1,1,0,0,0,0|1,0,1]=4 49 B14R0.2 CCCCCCNC(=O)NCCC(=O)O CSC012024110 [0,2,0,0,0,0|1,0,1]=4 50 B14R0.2 CCCCSCCC(=O)NCCC(=O)O CSC012904895 [0,2,0,0,0,0|1,0,1]=4 51 B14R0.2 CN(CCCCCC=C)CCCC(=O)O CSC012140175 [0,2,0,0,0,0|0,0,2]=4 52 B14R0.67 CC(C)CCCC(C)NCCCC(=O)O CSC011483732 [0,2,0,0,0,0|1,0,0]=3 53 B14R0.186 CCCCCC(=O)N(C)CCCC(=O)O CSC000244134 [0,2,0,0,0,0|1,0,1]=4 54 B14R0.186 CCSCCC(C)N(C)CCCC(=O)O CSC018780679 [0,2,0,0,0,0|2,0,0]=4 55 B14R0.153 CCCCC(=O)NCCCCCC(=O)O CSC000205553 [0,2,0,0,0,0|0,0,1]=3 56 B14R0.153 CCOCC(=O)NCCCCCC(=O)O CSC011238800 [0,2,0,0,0,0|1,0,1]=4 57 B14R0.153 COCCC(=O)NCCCCCC(=O)O CSC011274430 [0,2,0,0,0,0|1,0,1]=4 58 B14R0.231 CCCCCC(=O)NCCCCC(=O)O CSC011593324 [0,2,0,0,0,0|0,0,1]=3 59 B14R0.231 CCCCCC(=O)NCCOCC(=O)O CSC012580475 [0,2,0,0,0,0|1,0,1]=4 60 B14R0.231 CCCCCC(=O)NCCSCC(=O)O CSC012905702 [0,2,0,0,0,0|1,0,1]=4 61 B14R0.231 CCCOCC(=O)NCCCCC(=O)O CSC012905564 [0,2,0,0,0,0|1,0,1]=4 62 B14R0.231 CCCSCC(=O)NCCCCC(=O)O CSC012905562 [0,2,0,0,0,0|1,0,1]=4 63 B14R0.231 CCOCCC(=O)NCCCCC(=O)O CSC011973628 [0,2,0,0,0,0|1,0,1]=4 64 B14R0.231 COCCCC(=O)NCCCCC(=O)O CSC011593344 [0,2,0,0,0,0|1,0,1]=4 65 B14R0.344 CCCCCCCNC(=O)CCC(=O)O CSC000013472 [0,2,0,0,0,0|0,0,1]=3 66 B14R0.2224 CCOCCCC(=O)NCCCC(=O)O CSC011593006 [0,2,0,0,0,0|1,0,1]=4 67 B14R0.2224 COCCCCC(=O)NCCCC(=O)O CSC012904424 [0,2,0,0,0,0|1,0,1]=4 68 B14R0.2224 CSCCCCC(=O)NCCCC(=O)O CSC017468522 [0,2,0,0,0,0|1,0,1]=4 69 B14R0.131 CCC(C)C(=O)NCCCCCC(=O)O CSC011193946 [0,2,0,0,0,0|1,0,1]=4 70 B14R0.287 CCCS(=O)(=O)NCCCCCC(=O)O CSC000169587 [0,2,0,0,0,0|2,0,0]=4 71 B14R0.315 CCCC(C)C(=O)NCCCCC(=O)O CSC011973651 [0,2,0,0,0,0|1,0,1]=4 72 B14R0.427 CC(C)CC(=O)NCCCCCC(=O)O CSC000194433 [0,2,0,0,0,0|1,0,1]=4 73 B14R0.2863 CCCC(C)CC(=O)NCCCC(=O)O CSC012904435 [0,2,0,0,0,0|1,0,1]=4 74 B14R0.46 CCCCC(C)C(=O)NCCCC(=O)O CSC014590848 [0,2,0,0,0,0|1,0,1]=4 75 B14R0.46 CCCCC(C)C(C)NCCCC(=O)O CSC057309726 [0,2,0,0,0,0|1,0,0]=3 76 B14R0.46 CSCCC(C)N(C)CCCCC(=O)O CSC013340661 [0,2,0,0,0,0|2,0,0]=4 77 B14R0.101 CCC(C)CC(=O)NCCCCC(=O)O CSC013759529 [0,2,0,0,0,0|1,0,1]=4 78 B14R0.551 CC(C)CCC(=O)NCCCCC(=O)O CSC011593385 [0,2,0,0,0,0|1,0,1]=4 79 B14R0.551 CC(C)CCOCCN(C)CCC(=O)O CSC011486396 [0,2,0,0,0,0|2,0,0]=4 80 B14R0.140 CCCCCCCC(=O)NCC(=O)OC CSC011221095 [0,2,0,0,0,0|1,0,1]=4 81 B14R0.197 COC(=O)CCCCCCCC(=O)OC CSC000043244 [0,2,0,0,0,0|1,0,1]=4 82 B14R0.393 CCCCCCCCCNC(=O)CC#N CSC010006857 [0,2,0,0,0,0|2,0,0]=4 83 B14R0.138 CCCCCCCC(=O)N(C)CC(=O)O CSC011249563 [0,2,0,0,0,0|1,0,1]=4 84 B14R0.2430 CCCCCC(C)NC(=O)CCC(=O)O CSC011318891 [0,2,0,0,0,0|1,0,1]=4 85 B14R0.227 CCCCCC(=O)NCC(C)CC(=O)O CSC012854581 [0,2,0,0,0,0|1,0,1]=4 86 B14R0.2015 CCOCCN(CC)CCCCC(=O)O CSC011905680 [0,2,0,0,0,0|2,0,0]=4 87 B14R0.2370 CCCCCS(=O)(=O)NCCCC(=O)O CSC017051306 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.8 OCCCCNC1CCCCC1 CSC000186385 [1,0,0,1,0,0|1,0,1]=4 89 B12R1.8 OCCCNCC1CCCCC1 CSC000200649 [1,0,0,1,0,0|1,0,1]=4 90 B12R1.281 CCC1CCCCCN1CCO CSC012621646 [1,0,0,1,0,0|1,0,1]=4 91 B12R1.1414 OCCCCN1CCCCCC1 CSC011305542 [1,0,0,1,0,0|1,0,1]=4 92 B12R1.75 CCC1CCCCC1NC(=O)C CSC011265613 [1,0,0,1,0,0|2,0,0]=4 93 B12R1.125 CC1CCCCC1CNC(=O)C CSC011500032 [1,0,0,1,0,0|2,0,0]=4 94 B12R1.125 CC1CCCCN1CCC(=O)O CSC000727554 [1,0,0,1,0,0|1,0,0]=3 95 B12R1.252 CC(=O)OCCC1CCCCC1 CSC009881819 [1,0,0,1,0,0|2,0,0]=4 96 B12R1.252 NC(=O)CCCC1CCCCC1 CSC000162275 [1,0,0,1,0,0|1,0,0]=3 97 B12R1.1392 CC(=O)NC1CCCCCCC1 CSC000160966 [1,0,0,1,0,0|2,0,0]=4 98 B12R1.1392 NC(=O)NC1CCCCCCC1 CSC000238964 [1,0,0,1,0,0|2,0,0]=4 99 B14R1.76 CCC1CN(CCS1)CCCC(=O)O CSC012493603 [0,1,0,1,0,0|2,0,0]=4 100 B14R1.159 CC1CSCCN1CCCCC(=O)O CSC011976767 [0,1,0,1,0,0|1,0,0]=3 101 B14R1.422 NC(=O)NCCCOC1CCCCC1 CSC061441094 [0,1,0,1,0,0|2,0,0]=4 102 B14R1.427 CC(=O)NCCCSCC1CCCC1 CSC027354095 [0,1,0,1,0,0|2,0,0]=4 103 B14R1.498 CSCC1CCCN1CCCC(=O)O CSC017464932 [0,1,0,1,0,0|1,0,0]=3 104 B14R1.903 CCOCCN1CCCCC1C(=O)O CSC011296525 [0,1,0,1,0,0|1,0,0]=3 105 B14R1.903 CCSCCN1CCCCC1C(=O)O CSC013361884 [0,1,0,1,0,0|1,0,0]=3 106 B14R1.6343 CC(=O)NCCCN1CCCCCC1 CSC046114269 [0,1,0,1,0,0|2,0,0]=4 107 B14R1.6343 NC(=O)NCCOC1CCCCCC1 CSC059548506 [0,1,0,1,0,0|2,0,0]=4 108 B14R1.148 CC1CN(CCS1)CCCCC(=O)O CSC013340636 [0,1,0,1,0,0|2,0,0]=4 109 B14R1.468 CCCC1CN(CCO1)CCC(=O)O CSC018930664 [0,1,0,1,0,0|2,0,0]=4 110 B14R1.623 CCCC(=O)N1CCCCC1C(=O)O CSC000743511 [0,1,0,1,0,0|1,0,1]=4 111 B14R1.6673 CCSC1CCCCN(C1)CC(=O)O CSC016384257 [0,1,0,1,0,0|2,0,0]=4 112 B14R1.272 CCCN1CCC[C@H]1CNC(=O)CO CSC061297616 [0,1,0,1,0,0|2,0,0]=4 113 B14R1.272 COC(=O)CNC1CCCC1CCO CSC019256596 [0,1,0,1,0,0|2,0,0]=4 114 B14R1.483 COC(=O)CN1CCCCC1CCN CSC011972594 [0,1,0,1,0,0|2,0,0]=4 115 B14R1.716 OCC(=O)NCCCC1CCCCO1 CSC061619435 [0,1,0,1,0,0|2,0,0]=4 116 B14R1.716 OCC(=O)NCCOC1CCCCC1 CSC061443685 [0,1,0,1,0,0|2,0,0]=4 117 B14R1.730 OCC(=O)NCCCOC1CCCC1 CSC060658046 [0,1,0,1,0,0|2,0,0]=4 118 B14R1.837 COC(=O)CCCN1CCCCC1C CSC011293843 [0,1,0,1,0,0|1,0,0]=3 119 B14R1.863 CCC1CCCCN1CCC(=O)OC CSC000177499 [0,1,0,1,0,0|1,0,0]=3 120 B14R1.863 CCN1CCCCC1CNC(=O)CO CSC042834669 [0,1,0,1,0,0|2,0,0]=4 121 B14R1.1586 CNC(=O)CSCC1CCCCCC1 CSC027558395 [0,1,0,1,0,0|2,0,0]=4 122 B14R1.1586 COC(=O)CCCN1CCCCCC1 CSC011293848 [0,1,0,1,0,0|1,0,0]=3 123 B14R1.7684 COC(=O)CCN1CCCCCCC1 CSC000176933 [0,1,0,1,0,0|1,0,0]=3 124 B14R1.899 CCSCCN1CCCC(C1)C(=O)O CSC013417846 [0,1,0,1,0,0|2,0,0]=4 125 B14R1.160 CC1CCCCC1C(=O)NCC(=O)O CSC000092554 [0,1,0,1,0,0|1,0,1]=4 126 B14R1.423 OC(=O)CCC(=O)NC1CCCCC1 CSC000186314 [0,1,0,1,0,0|1,0,1]=4 127 B14R1.10371 OC(=O)CCC(=O)N1CCCCCC1 CSC000199705 [0,1,0,1,0,0|1,0,1]=4 128 B14R1.814 CC(C)CC1COCCN1CC(=O)O CSC016381487 [0,1,0,1,0,0|2,0,0]=4 129 B14R1.814 CC(O)CC1CCCCN1CC(=O)N CSC013644334 [0,1,0,1,0,0|2,0,0]=4 130 B14R1.6316 CC(C)OCCN1CCCC1C(=O)O CSC011486014 [0,1,0,1,0,0|2,0,0]=4 131 B14R1.6316 CC(C)OCCN1CCC[C@H]1C(=O)O CSC056978290 [0,1,0,1,0,0|2,0,0]=4 132 B14R1.6325 CC(C)CC1CCCCCN1C(=O)C CSC047278368 [0,1,0,1,0,0|2,0,0]=4 133 B14R1.1865 CCC1COC(CN1CCC(=O)O)C CSC011476158 [0,1,0,1,0,0|2,0,0]=4 134 B14R1.849 CCN1CCCC1CN(C)CC(=O)O CSC012543036 [0,1,0,1,0,0|2,0,0]=4 135 B14R2.790 CC(=O)NC1CC1C2CCCCC2 CSC016052905 [0,0,0,2,0,0|2,0,0]=4 136 B14R2.790 CC(=O)N[C@@H]1C[C@H]1C2CCCCC2 CSC015503563 [0,0,0,2,0,0|2,0,0]=4