0 B13R0.54 CCCCCCCCCCNC(=O)N CSC012710775 [0,0,0,0,0,0|2,0,0]=2 1 B13R0.54 CCCCCCCCCCOC(=O)C CSC000031374 [0,0,0,0,0,0|2,0,0]=2 2 B13R0.54 CCCCCCCCSCCC(=O)N CSC010587829 [0,0,0,0,0,0|2,0,0]=2 3 B12R0.5 CCCCCCCCCSCCO CSC011304840 [1,0,0,0,0,0|1,0,2]=4 4 B12R0.5 CCCCCCCCSCCC#N CSC009848894 [1,0,0,0,0,0|2,0,1]=4 5 B12R0.234 CCCCCCCCCOC(=O)C CSC000210669 [1,0,0,0,0,0|2,0,0]=3 6 B12R0.234 CCCCCCCCSCC(=O)N CSC046179943 [1,0,0,0,0,0|2,0,0]=3 7 B14R0.153 CCCCC(=O)NCCCCCC(=O)O CSC000205553 [0,1,0,0,0,0|2,0,1]=4 8 B14R0.231 CCCCCC(=O)NCCCCC(=O)O CSC011593324 [0,1,0,0,0,0|2,0,1]=4 9 B14R0.344 CCCCCCCNC(=O)CCC(=O)O CSC000013472 [0,1,0,0,0,0|2,0,1]=4 10 B14R1.159 CC1CSCCN1CCCCC(=O)O CSC011976767 [0,0,0,1,0,0|3,0,0]=4 11 B14R1.422 NC(=O)NCCCOC1CCCCC1 CSC061441094 [0,0,0,1,0,0|3,0,0]=4 12 B14R1.427 CC(=O)NCCCSCC1CCCC1 CSC027354095 [0,0,0,1,0,0|3,0,0]=4 13 B14R1.498 CSCC1CCCN1CCCC(=O)O CSC017464932 [0,0,0,1,0,0|3,0,0]=4 14 B14R1.903 CCOCCN1CCCCC1C(=O)O CSC011296525 [0,0,0,1,0,0|3,0,0]=4 15 B14R1.903 CCSCCN1CCCCC1C(=O)O CSC013361884 [0,0,0,1,0,0|3,0,0]=4 16 B14R1.6343 CC(=O)NCCCN1CCCCCC1 CSC046114269 [0,0,0,1,0,0|3,0,0]=4 17 B14R1.6343 NC(=O)NCCOC1CCCCCC1 CSC059548506 [0,0,0,1,0,0|3,0,0]=4 18 B11R0.148 CCCCCCCCCC(=O)N CSC011216713 [2,0,0,0,0,0|1,0,0]=3 19 B15R0.234 CCCCCC(=O)NCCCCCC(=O)O CSC000244144 [0,2,0,0,0,0|1,0,1]=4 20 B15R0.88 CCCCCCCCCC(=O)NCC(=O)O CSC011274597 [0,2,0,0,0,0|1,0,1]=4 21 B15R0.88 CCCCCCCCNC(=O)CCC(=O)O CSC011934051 [0,2,0,0,0,0|1,0,1]=4 22 B15R0.129 CCCCCCCC(=O)NCCCC(=O)O CSC000751735 [0,2,0,0,0,0|1,0,1]=4 23 B13R1.90 CCC1CCCCN1CCC(=O)O CSC015187846 [1,0,0,1,0,0|2,0,0]=4 24 B13R1.1022 OC(=O)CCN1CCCCCCC1 CSC015187237 [1,0,0,1,0,0|2,0,0]=4 25 B15R1.503 CC(CCC1CCCC1)NCCC(=O)O CSC057429932 [0,1,0,1,0,0|2,0,0]=4 26 B15R1.568 CCCC1CCCN(C1)CCCC(=O)O CSC017445076 [0,1,0,1,0,0|2,0,0]=4 27 B15R1.1081 CN(CCCC(=O)O)CC1CCCCC1 CSC011479251 [0,1,0,1,0,0|2,0,0]=4 28 B15R1.8019 CC(NCCC(=O)O)C1CCCCC1C CSC057457113 [0,1,0,1,0,0|2,0,0]=4 29 B15R1.8019 CC1CCCCC1N(C)CCCC(=O)O CSC011509041 [0,1,0,1,0,0|2,0,0]=4 30 B15R1.31246 CN(CCCC(=O)O)C1CCCCCC1 CSC011324923 [0,1,0,1,0,0|2,0,0]=4 31 B15R1.119 CC1CCCC(C1)CNCCCC(=O)O CSC012376897 [0,1,0,1,0,0|2,0,0]=4 32 B15R1.5914 CC(C)CC1CCCCN1CCC(=O)O CSC018702861 [0,1,0,1,0,0|2,0,0]=4 33 B15R1.5914 CC(C)CCC1CCCCN1CC(=O)O CSC019162768 [0,1,0,1,0,0|2,0,0]=4 34 B15R1.5918 CC(C)CCC1CCCC1NCC(=O)N CSC017367518 [0,1,0,1,0,0|2,0,0]=4 35 B15R1.5918 CC(C)CCC1CCCC1NCC(=O)O CSC056722466 [0,1,0,1,0,0|2,0,0]=4 36 B15R1.5918 CC(C)CCC1CCCN1CCC(=O)O CSC017483889 [0,1,0,1,0,0|2,0,0]=4 37 B15R1.8882 CC(C)C1CCCCN1CCCC(=O)O CSC017469842 [0,1,0,1,0,0|2,0,0]=4 38 B15R1.8882 CC(C)CCCN1CCCCC1C(=O)O CSC013182998 [0,1,0,1,0,0|2,0,0]=4 39 B15R1.8884 CC(C)CC1CCCN1CCCC(=O)O CSC017447628 [0,1,0,1,0,0|2,0,0]=4 40 B15R1.8894 CC(O)CC1CCCCCN1CC(=O)N CSC013644412 [0,1,0,1,0,0|2,0,0]=4 41 B15R1.8943 CC1(CCCCC1NCCCC(=O)O)C CSC012655297 [0,1,0,1,0,0|2,0,0]=4 42 B15R1.8944 CC(C)C1CCCN1CCCCC(=O)O CSC012331142 [0,1,0,1,0,0|2,0,0]=4 43 B15R1.504 OC(=O)CCCNCCC1CCCCC1 CSC011373381 [0,1,0,1,0,0|1,0,0]=3 44 B15R1.3470 CCCC1C(CCCN1CCC(=O)O)C CSC017466155 [0,1,0,1,0,0|2,0,0]=4 45 B15R1.4172 CCC1CC(CN1CCCCC(=O)O)C CSC017957441 [0,1,0,1,0,0|2,0,0]=4 46 B15R1.8448 CC1CCC(C(C1)NCCCC(=O)O)C CSC012144088 [0,1,0,1,0,0|2,0,0]=4 47 B15R1.8290 CC1CCCC(N1CCCCC(=O)O)C CSC011248785 [0,1,0,1,0,0|2,0,0]=4 48 B15R1.8290 C[C@H]1CCC[C@H](N1CCCCC(=O)O)C [0,1,0,1,0,0|2,0,0]=4 49 B15R1.8958 OC(=O)CCNCCC1CCCCCC1 CSC017816808 [0,1,0,1,0,0|1,0,0]=3 50 B15R1.23126 CC1CCCC(N(C1)CCCC(=O)O)C CSC018621053 [0,1,0,1,0,0|2,0,0]=4 51 B15R1.64 CCC1CCCC(C1)NCCCC(=O)O CSC012040991 [0,1,0,1,0,0|2,0,0]=4 52 B15R1.64 CCC1CCCN(C1)CCCCC(=O)O CSC011319822 [0,1,0,1,0,0|2,0,0]=4 53 B15R1.123 CC1CCCC(C1C)NCCCC(=O)O CSC011293957 [0,1,0,1,0,0|2,0,0]=4 54 B15R1.123 CC1CCCN(C1C)CCCCC(=O)O CSC011615526 [0,1,0,1,0,0|2,0,0]=4 55 B15R1.871 CC1CCC(CC1)CNCCCC(=O)O CSC011832053 [0,1,0,1,0,0|2,0,0]=4 56 B15R1.985 CCC(C)C1CCCCN1CCC(=O)O CSC017086399 [0,1,0,1,0,0|2,0,0]=4 57 B15R1.6612 CC1CCCN(CC1)CCCCC(=O)O CSC011889667 [0,1,0,1,0,0|2,0,0]=4 58 B15R1.3664 CC(NCCCC1CCCCC1)C(=O)O CSC017247778 [0,1,0,1,0,0|2,0,0]=4 59 B15R1.15940 CC(NCCC1CCCCCC1)C(=O)O CSC018775607 [0,1,0,1,0,0|2,0,0]=4 60 B15R1.15940 C[C@@H](NCCC1CCCCCC1)C(=O)O CSC018627973 [0,1,0,1,0,0|2,0,0]=4 61 B15R1.15940 C[C@H](NCCC1CCCCCC1)C(=O)O CSC020238958 [0,1,0,1,0,0|2,0,0]=4 62 B15R1.256 CC1CCCCC1CN(C)CCC(=O)O CSC017713359 [0,1,0,1,0,0|2,0,0]=4 63 B15R1.5919 CN(CCC1CCCCC1)CCC(=O)O CSC012046942 [0,1,0,1,0,0|2,0,0]=4 64 B15R1.12292 CN(CCCC1CCCC1)CCC(=O)O CSC056999872 [0,1,0,1,0,0|2,0,0]=4 65 B15R1.16777 CN(CCC(=O)O)CC1CCCCCC1 CSC012376270 [0,1,0,1,0,0|2,0,0]=4 66 B15R1.22532 CN(CCC1CCCCCC1)CC(=O)O CSC017816807 [0,1,0,1,0,0|2,0,0]=4 67 B15R1.84 CCC1CCCCN1CCCCC(=O)O CSC011283034 [0,1,0,1,0,0|1,0,0]=3 68 B15R1.241 COCCCCN1CCCCC1C(=O)O CSC013361883 [0,1,0,1,0,0|2,0,0]=4 69 B15R1.604 CSCC1CCCN1CCCCC(=O)O CSC017924030 [0,1,0,1,0,0|2,0,0]=4 70 B15R1.3525 COCCCCCN1CCCC1C(=O)O CSC057100241 [0,1,0,1,0,0|2,0,0]=4 71 B15R1.3525 COCCCCCN1CCC[C@H]1C(=O)O CSC057592990 [0,1,0,1,0,0|2,0,0]=4 72 B15R1.5821 CC1CCC(C(C1)C)NCCCC(=O)O CSC011967925 [0,1,0,1,0,0|2,0,0]=4 73 B15R1.497 CN(CCCCC(=O)O)C1CCCCC1 CSC011248783 [0,1,0,1,0,0|2,0,0]=4 74 B15R1.507 CN(CCCCC(=O)O)CC1CCCC1 CSC011890291 [0,1,0,1,0,0|2,0,0]=4 75 B15R2.1668 CC(=O)OC1CCC2CCCCC2C1 CSC000026604 [0,0,0,2,0,0|2,0,0]=4 76 B15R2.110 CC(=O)NC1CCCCC12CCCC2 CSC013037335 [0,0,0,2,0,0|2,0,0]=4 77 B15R2.110 NC(=O)NC1CCCCC12CCCC2 CSC015098222 [0,0,0,2,0,0|2,0,0]=4