0 B11R0.148 CCCCCCCCCC(=O)N CSC011216713 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [1,0,0,0,0,0|2,0,1]=4 2 B10R0.4 CCCCCCCNC(=O)N CSC009878357 [1,0,0,0,0,0|2,0,1]=4 3 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [1,0,0,0,0,0|2,0,1]=4 4 B12R0.233 CCCSCC(=O)NCCC(=O)O CSC012904872 [0,1,0,0,0,0|2,0,0]=3 5 B12R0.234 CCCCCCCCCOC(=O)C CSC000210669 [0,1,0,0,0,0|1,0,2]=4 6 B12R0.234 CCCCCCCCSCC(=O)N CSC046179943 [0,1,0,0,0,0|1,0,2]=4 7 B12R0.248 CCCCCCCCCC(=O)NN CSC011221126 [0,1,0,0,0,0|1,0,2]=4 8 B12R0.248 CCCCCCCCCC(=O)OC CSC011215519 [0,1,0,0,0,0|0,0,2]=3 9 B12R0.248 CCCCCCCSCC(=O)OC CSC000048336 [0,1,0,0,0,0|1,0,2]=4 10 B12R0.255 CSCCCCC(=O)NCC(=O)O CSC019889757 [0,1,0,0,0,0|2,0,1]=4 11 B12R0.255 CSCCCNC(=O)CCC(=O)O CSC011957421 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.125 CC1CCCCN1CCC(=O)O CSC000727554 [0,0,0,1,0,0|1,0,1]=3 13 B12R1.252 NC(=O)CCCC1CCCCC1 CSC000162275 [0,0,0,1,0,0|1,0,2]=4 14 B9R0.2 CCCCCCCC(=O)N CSC011216093 [2,0,0,0,0,0|1,0,0]=3 15 B9R0.2 CCCCCCOC(=O)C CSC000032130 [2,0,0,0,0,0|2,0,0]=4 16 B9R0.45 CCCCCCSCCO CSC011304839 [2,0,0,0,0,0|1,0,1]=4 17 B11R0.40 CCCCCCCCC(=O)NN CSC011203378 [1,1,0,0,0,0|1,0,1]=4 18 B11R0.40 CCCCCCCCC(=O)OC CSC011215467 [1,1,0,0,0,0|0,0,1]=3 19 B11R0.46 CCCCNC(=O)CCC(=O)O CSC000199522 [1,1,0,0,0,0|1,0,0]=3 20 B11R0.46 CCCCNC(=O)NCC(=O)O CSC011205310 [1,1,0,0,0,0|2,0,0]=4 21 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [1,1,0,0,0,0|2,0,0]=4 22 B11R0.46 COCCNC(=O)CCC(=O)O CSC011309817 [1,1,0,0,0,0|2,0,0]=4 23 B13R0.333 CCCCCC(=O)NC(C)CC(=O)O CSC000244157 [0,2,0,0,0,0|1,0,0]=3 24 B13R0.333 CCCOCC(=O)NC(C)CC(=O)O CSC012905357 [0,2,0,0,0,0|2,0,0]=4 25 B13R0.333 CCCSCC(=O)NC(C)CC(=O)O CSC012905349 [0,2,0,0,0,0|2,0,0]=4 26 B13R0.333 CCOCCC(=O)NC(C)CC(=O)O CSC011275203 [0,2,0,0,0,0|2,0,0]=4 27 B13R0.333 COCCCC(=O)NC(C)CC(=O)O CSC012736046 [0,2,0,0,0,0|2,0,0]=4 28 B13R0.188 CCCCCC(=O)NCCCC(=O)O CSC000244082 [0,2,0,0,0,0|0,0,1]=3 29 B13R0.188 CCCOCC(=O)NCCCC(=O)O CSC012904428 [0,2,0,0,0,0|1,0,1]=4 30 B13R0.188 CCCSCC(=O)NCCCC(=O)O CSC012904421 [0,2,0,0,0,0|1,0,1]=4 31 B13R0.188 CCOCCC(=O)NCCCC(=O)O CSC011274717 [0,2,0,0,0,0|1,0,1]=4 32 B13R0.188 COCCCC(=O)NCCCC(=O)O CSC011593005 [0,2,0,0,0,0|1,0,1]=4 33 B13R0.345 CCCCC(C)C(=O)NCCC(=O)O CSC014590845 [0,2,0,0,0,0|1,0,0]=3 34 B13R0.345 CCCCC(C)C(C)NCCC(=O)O CSC057009880 [0,2,0,0,0,0|1,0,1]=4 35 B13R0.345 CCCCN(C)C(=O)NCCC(=O)O CSC011427974 [0,2,0,0,0,0|2,0,0]=4 36 B13R0.493 CCC(C)OCC(=O)NCCC(=O)O CSC020437953 [0,2,0,0,0,0|2,0,0]=4 37 B13R0.493 COC(C)CCC(=O)NCCC(=O)O CSC013304257 [0,2,0,0,0,0|2,0,0]=4 38 B13R0.1 CCCCOCC(=O)NCCC(=O)O CSC012904886 [0,2,0,0,0,0|1,0,0]=3 39 B13R0.1 CCOCCCC(=O)NCCC(=O)O CSC011593163 [0,2,0,0,0,0|1,0,0]=3 40 B13R0.1 COCCCCC(=O)NCCC(=O)O CSC019947150 [0,2,0,0,0,0|1,0,0]=3 41 B13R0.1 COCCOCC(=O)NCCC(=O)O CSC000205649 [0,2,0,0,0,0|2,0,0]=4 42 B13R0.1 CSCCCCC(=O)NCCC(=O)O CSC018722141 [0,2,0,0,0,0|1,0,0]=3 43 B13R0.1 CSCCCNC(=O)NCCC(=O)O CSC011959772 [0,2,0,0,0,0|2,0,0]=4 44 B13R0.139 CCCCCC(=O)N(C)CCC(=O)O CSC011389226 [0,2,0,0,0,0|1,0,0]=3 45 B13R0.139 CCCOCC(=O)N(C)CCC(=O)O CSC012905538 [0,2,0,0,0,0|2,0,0]=4 46 B13R0.139 CCCSCC(=O)N(C)CCC(=O)O CSC012905531 [0,2,0,0,0,0|2,0,0]=4 47 B13R0.139 CCOCCC(=O)N(C)CCC(=O)O CSC011707978 [0,2,0,0,0,0|2,0,0]=4 48 B13R0.139 COCCCC(=O)N(C)CCC(=O)O CSC011593250 [0,2,0,0,0,0|2,0,0]=4 49 B13R0.194 CCCCCC(=O)NCCC(=O)NC CSC026851988 [0,2,0,0,0,0|2,0,0]=4 50 B13R0.194 CNCCCC(=O)NCCC(=O)OC CSC011437923 [0,2,0,0,0,0|2,0,0]=4 51 B13R0.331 CCCC(C)CC(=O)NCCC(=O)O CSC012904899 [0,2,0,0,0,0|1,0,0]=3 52 B13R0.331 COCC(C)CC(=O)NCCC(=O)O CSC012736024 [0,2,0,0,0,0|2,0,0]=4 53 B13R0.339 CCCCCC(=O)NCC(C)C(=O)O CSC011724763 [0,2,0,0,0,0|1,0,0]=3 54 B13R0.339 CCCOCC(=O)NCC(C)C(=O)O CSC012905585 [0,2,0,0,0,0|2,0,0]=4 55 B13R0.339 CCCSCC(=O)NCC(C)C(=O)O CSC012905577 [0,2,0,0,0,0|2,0,0]=4 56 B13R0.339 CCOCCC(=O)NCC(C)C(=O)O CSC011724816 [0,2,0,0,0,0|2,0,0]=4 57 B13R0.339 COCCCC(=O)NCC(C)C(=O)O CSC012736112 [0,2,0,0,0,0|2,0,0]=4 58 B13R0.1259 CCCCCS(=O)(=O)NCCC(=O)O CSC017469898 [0,2,0,0,0,0|2,0,0]=4 59 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)O CSC011427812 [0,2,0,0,0,0|2,0,0]=4 60 B13R0.1398 CC(C)OCCC(=O)NCCC(=O)O CSC012904873 [0,2,0,0,0,0|2,0,0]=4 61 B13R0.147 CCCCCCCCCCC(=O)OC CSC011215520 [0,2,0,0,0,0|0,0,2]=4 62 B13R0.154 CCCCCCNC(=O)CCC(=O)O CSC000199496 [0,2,0,0,0,0|0,0,1]=3 63 B13R0.154 CCCCSCCC(=O)NCC(=O)O CSC012904602 [0,2,0,0,0,0|1,0,1]=4 64 B13R0.2 CCCCCCCCCC(=O)OCC CSC011217761 [0,2,0,0,0,0|0,0,2]=4 65 B11R1.86 CC1CCCCC1CC(=O)N CSC000055404 [1,0,0,1,0,0|1,0,1]=4 66 B11R1.91 CC(=O)NCC1=CCCCC1 CSC010505009 [1,0,0,1,0,0|2,0,0]=4 67 B11R1.91 NC(=O)CCC1CCCCC1 CSC000162346 [1,0,0,1,0,0|1,0,1]=4 68 B11R1.742 NC(=O)CC1CCCCCC1 CSC012282423 [1,0,0,1,0,0|1,0,1]=4 69 B13R1.158 CC1CSCCN1CCCC(=O)O CSC011976763 [0,1,0,1,0,0|1,0,1]=4 70 B13R1.3787 CC1CCCC(N1CCC(=O)O)C CSC046098707 [0,1,0,1,0,0|1,0,1]=4 71 B13R1.90 CCC1CCCCN1CCC(=O)O CSC015187846 [0,1,0,1,0,0|0,0,2]=4 72 B13R1.392 CSCC1CCCN1CCC(=O)O CSC018911493 [0,1,0,1,0,0|1,0,1]=4 73 B13R1.1022 OC(=O)CCN1CCCCCCC1 CSC015187237 [0,1,0,1,0,0|0,0,2]=4 74 B13R1.528 COC(=O)CCN1CCCCC1C CSC000176925 [0,1,0,1,0,0|1,0,1]=4 75 B13R1.718 COC(=O)CCCN1CCCCC1 CSC011293852 [0,1,0,1,0,0|1,0,1]=4 76 B13R1.1711 COC(=O)CCN1CCCCCC1 CSC000177403 [0,1,0,1,0,0|1,0,1]=4 77 B13R1.45 OC(=O)CCC(=O)N1CCCCC1 CSC000243808 [0,1,0,1,0,0|1,0,0]=3 78 B13R1.344 OC(=O)CCC(=O)NC1CCSC1 CSC013936579 [0,1,0,1,0,0|2,0,0]=4 79 B8R0.4 CCCCCSCCO CSC011215970 [3,0,0,0,0,0|1,0,0]=4 80 B10R0.74 CCCCCCCC(=O)NN CSC000181853 [2,1,0,0,0,0|1,0,0]=4 81 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [2,1,0,0,0,0|0,0,0]=3 82 B10R0.78 CCCCC(=O)NCC(=O)O CSC000205572 [2,1,0,0,0,0|1,0,0]=4 83 B12R0.44 CC(C)CCNC(=O)CCC(=O)O CSC000199397 [1,2,0,0,0,0|1,0,0]=4 84 B12R0.1 CCCCCCCCC(=O)OCC CSC011218606 [1,2,0,0,0,0|0,0,1]=4 85 B14R0.44 CCCCC(C)C(=O)NC(C)CC(=O)O CSC014590868 [0,3,0,0,0,0|1,0,0]=4 86 B14R0.227 CCCCCC(=O)NCC(C)CC(=O)O CSC012854581 [0,3,0,0,0,0|0,0,1]=4 87 B14R0.426 CC(C)CC(C)CC(=O)NCCC(=O)O CSC012904870 [0,3,0,0,0,0|1,0,0]=4 88 B14R0.390 CCCC(C)CC(=O)NC(C)CC(=O)O CSC012905367 [0,3,0,0,0,0|1,0,0]=4 89 B14R0.389 CCCCOCC(=O)NC(C)CC(=O)O CSC012905359 [0,3,0,0,0,0|1,0,0]=4 90 B14R0.389 CCOCCCC(=O)NC(C)CC(=O)O CSC012736048 [0,3,0,0,0,0|1,0,0]=4 91 B14R0.389 COCCCCC(=O)NC(C)CC(=O)O CSC012905353 [0,3,0,0,0,0|1,0,0]=4 92 B14R0.526 CCCCCC(=O)NC(C)C(C)C(=O)O CSC013349336 [0,3,0,0,0,0|1,0,0]=4 93 B14R0.2863 CCCC(C)CC(=O)NCCCC(=O)O CSC012904435 [0,3,0,0,0,0|0,0,1]=4 94 B14R0.396 CCCCC(C)C(=O)NCC(C)C(=O)O CSC014590899 [0,3,0,0,0,0|1,0,0]=4 95 B14R0.2430 CCCCCC(C)NC(=O)CCC(=O)O CSC011318891 [0,3,0,0,0,0|0,0,1]=4 96 B14R0.2447 CCCCC(C)C(=O)N(C)CCC(=O)O CSC014590874 [0,3,0,0,0,0|1,0,0]=4 97 B14R0.46 CCCCC(C)C(=O)NCCCC(=O)O CSC014590848 [0,3,0,0,0,0|0,0,1]=4 98 B14R0.67 CC(C)CCCNC(=O)NCCC(=O)O CSC011787380 [0,3,0,0,0,0|1,0,0]=4 99 B14R0.67 CC(C)CCSCC(=O)NCCC(=O)O CSC012904890 [0,3,0,0,0,0|1,0,0]=4 100 B14R0.67 CC(C)OCCCC(=O)NCCC(=O)O CSC018541247 [0,3,0,0,0,0|1,0,0]=4 101 B14R0.186 CCCCCC(=O)N(C)CCCC(=O)O CSC000244134 [0,3,0,0,0,0|0,0,1]=4 102 B14R0.186 CCCCOC(C)C(=O)NCCC(=O)O CSC012904891 [0,3,0,0,0,0|1,0,0]=4 103 B14R0.186 CCCCSC(C)C(=O)NCCC(=O)O CSC012904882 [0,3,0,0,0,0|1,0,0]=4 104 B14R0.2224 CCOCCCC(=O)NCCCC(=O)O CSC011593006 [0,3,0,0,0,0|0,0,1]=4 105 B14R0.2224 COCCCCC(=O)NCCCC(=O)O CSC012904424 [0,3,0,0,0,0|0,0,1]=4 106 B14R0.2224 CSCCCCC(=O)NCCCC(=O)O CSC017468522 [0,3,0,0,0,0|0,0,1]=4 107 B14R0.2905 CCCCC(CC)C(=O)NCCC(=O)O CSC011249631 [0,3,0,0,0,0|1,0,0]=4 108 B14R0.2691 CC(C)(C)CCCC(=O)NCCC(=O)O CSC012904902 [0,3,0,0,0,0|1,0,0]=4 109 B14R0.2 CCCCCCNC(=O)NCCC(=O)O CSC012024110 [0,3,0,0,0,0|0,0,1]=4 110 B14R0.2 CCCCSCCC(=O)NCCC(=O)O CSC012904895 [0,3,0,0,0,0|0,0,1]=4 111 B14R0.2 CCSCCCNC(=O)NCCC(=O)O CSC014594941 [0,3,0,0,0,0|1,0,0]=4 112 B14R0.2 COCCOCCC(=O)NCCC(=O)O CSC017466268 [0,3,0,0,0,0|1,0,0]=4 113 B14R0.180 CCCCOCC(=O)NCC(C)C(=O)O CSC012905587 [0,3,0,0,0,0|1,0,0]=4 114 B14R0.180 CCOCCCC(=O)NCC(C)C(=O)O CSC012736114 [0,3,0,0,0,0|1,0,0]=4 115 B14R0.180 COCCCCC(=O)NCC(C)C(=O)O CSC012905581 [0,3,0,0,0,0|1,0,0]=4 116 B14R0.511 CCCCOCC(=O)N(C)CCC(=O)O CSC012905540 [0,3,0,0,0,0|1,0,0]=4 117 B14R0.511 CCOCCCC(=O)N(C)CCC(=O)O CSC011593258 [0,3,0,0,0,0|1,0,0]=4 118 B14R0.511 COCCCCC(=O)N(C)CCC(=O)O CSC012905534 [0,3,0,0,0,0|1,0,0]=4 119 B14R0.511 CSCCCCC(=O)N(C)CCC(=O)O CSC018780536 [0,3,0,0,0,0|1,0,0]=4 120 B14R0.241 CCCCCC(=O)N(C)CC(C)C(=O)O CSC011509926 [0,3,0,0,0,0|1,0,0]=4 121 B14R0.242 CCCCCC(=O)N(CC)CCC(=O)O CSC011395407 [0,3,0,0,0,0|1,0,0]=4 122 B14R0.1172 CCCC(C)CC(=O)N(C)CCC(=O)O CSC012905546 [0,3,0,0,0,0|1,0,0]=4 123 B14R0.119 CCCC(C)CC(=O)NCC(C)C(=O)O CSC012905596 [0,3,0,0,0,0|1,0,0]=4 124 B14R0.455 CCCCCC(=O)NCC(C)(C)C(=O)O CSC012905941 [0,3,0,0,0,0|1,0,0]=4 125 B14R0.455 CCCCCC(=O)NCC(C)(O)C(=O)O CSC012429285 [0,3,0,0,0,0|1,0,0]=4 126 B14R0.231 CCCCCC(=O)NCCCCC(=O)O CSC011593324 [0,3,0,0,0,0|0,0,1]=4 127 B14R0.231 CCCCCC(=O)NCCOCC(=O)O CSC012580475 [0,3,0,0,0,0|0,0,1]=4 128 B14R0.231 CCCCCC(=O)NCCSCC(=O)O CSC012905702 [0,3,0,0,0,0|0,0,1]=4 129 B14R0.344 CCCCCCCNC(=O)CCC(=O)O CSC000013472 [0,3,0,0,0,0|0,0,1]=4 130 B10R1.66 NC(=O)CCC1CCCC1 CSC000162258 [2,0,0,1,0,0|1,0,0]=4 131 B10R1.348 NC(=O)C1CCCCCC1 CSC011707493 [2,0,0,1,0,0|1,0,0]=4 132 B12R1.226 CC1CCCN(C1)CCC(=O)O CSC025718150 [1,1,0,1,0,0|1,0,0]=4 133 B12R1.1659 COC(=O)C1CCCCCCC1 CSC012181116 [1,1,0,1,0,0|0,0,1]=4 134 B12R1.54 OC(=O)CCC(=O)N1CCCC1 CSC000187315 [1,1,0,1,0,0|1,0,0]=4 135 B12R1.21 CC1CCN(CC1)CCC(=O)O CSC000740328 [1,1,0,1,0,0|1,0,0]=4 136 B14R1.423 OC(=O)CCC(=O)NC1CCCCC1 CSC000186314 [0,2,0,1,0,0|0,0,1]=4 137 B14R1.423 OC(=O)CCC(=O)NC1CCCOC1 CSC011850725 [0,2,0,1,0,0|1,0,0]=4 138 B14R1.420 OC(=O)CCNC(=O)C1CCCCO1 CSC011625457 [0,2,0,1,0,0|1,0,0]=4 139 B14R1.420 OC(=O)CCNC(=O)C1CCCOC1 CSC011744380 [0,2,0,1,0,0|1,0,0]=4 140 B14R1.420 OC(=O)CCNC(=O)C1CCSCC1 CSC016379853 [0,2,0,1,0,0|1,0,0]=4 141 B14R1.5469 CCOC1CC1C(=O)NCCC(=O)O CSC012904880 [0,2,0,1,0,0|1,0,0]=4 142 B14R1.1469 OC(=O)CCNC(=O)NCC1CCC1 CSC011428949 [0,2,0,1,0,0|1,0,0]=4 143 B14R1.1634 CC[C@@H]1C[C@H]1NC(=O)NCCC(=O)O CSC057170804 [0,2,0,1,0,0|1,0,0]=4 144 B14R1.5888 CC1CC1CNC(=O)NCCC(=O)O CSC013429163 [0,2,0,1,0,0|1,0,0]=4 145 B14R1.810 OC(=O)CCNC(=O)CC1CCCO1 CSC011593165 [0,2,0,1,0,0|1,0,0]=4 146 B14R1.810 OC(=O)CCNC(=O)NC1CCCC1 CSC011205375 [0,2,0,1,0,0|1,0,0]=4 147 B14R1.1470 OC(=O)CCNC(=O)COCC1CC1 CSC017046038 [0,2,0,1,0,0|1,0,0]=4 148 B14R1.4488 CC1CCCN1C(=O)NCCC(=O)O CSC011429591 [0,2,0,1,0,0|1,0,0]=4 149 B14R1.10371 OC(=O)CCC(=O)N1CCCCCC1 CSC000199705 [0,2,0,1,0,0|0,0,1]=4 150 B14R1.4526 OC(=O)CCC(=O)NCC1CCCO1 CSC000189138 [0,2,0,1,0,0|1,0,0]=4 151 B14R1.4526 OC(=O)CCC(=O)NCC1CCCO1 CSC000189138 [0,2,0,1,0,0|1,0,0]=4