0 B11R0.3 CCCCCCCCNCCN BB31-6273 [1,0,0,0,0,0|2,0,1]=4 1 B11R0.148 C#CCCCCCCCC(=O)O BB31-3239 [1,0,0,0,0,0|0,0,2]=3 2 B11R0.148 NCCCCCCCCC(=O)O BB31-8434 [1,0,0,0,0,0|1,0,0]=2 3 B13R0.54 C=CCCCCCCCCCC(=O)O BB32-2997 [0,1,0,0,0,0|0,0,1]=2 4 B13R0.54 CCCCCCCCC\C=C\C(=O)O BB32-1603 [0,1,0,0,0,0|0,0,1]=2 5 B13R0.54 CCCC\C=C/CCCCOC(C)=O BB31-7051 [0,1,0,0,0,0|1,0,2]=4 6 B13R0.54 NCCOCCOCCOCC(=O)O BB31-7663 [0,1,0,0,0,0|3,0,0]=4 7 B13R0.54 O=C(O)CCCCCCCCCCCl BB32-0804 [0,1,0,0,0,0|0,0,0]=1 8 B13R0.54 O=C(O)CCCCCCCCCCO BB31-5498 [0,1,0,0,0,0|0,0,0]=1 9 B13R0.179 CC(=O)CCCCCCCCC(=O)O BB31-5497 [0,1,0,0,0,0|0,0,1]=2 10 B13R1.90 CCC1CCCCN1CCC(=O)O BB53-0162 [0,0,0,1,0,0|1,0,0]=2 11 B13R1.337 O=C(O)CNCCN1CCCCC1 BB53-0585 [0,0,0,1,0,0|2,0,0]=3 12 B13R1.337 O=C(O)CNCCN1CCOCC1 BB52-9791 [0,0,0,1,0,0|3,0,0]=4 13 B13R1.337 O=C(O)CSCCN1CCCCC1 BB53-0635 [0,0,0,1,0,0|2,0,0]=3 14 B13R1.337 O=C(O)CSCCN1CCOCC1 BB53-0606 [0,0,0,1,0,0|3,0,0]=4 15 B13R1.343 O=C(O)CCNCCN1CCCC1 BB53-0115 [0,0,0,1,0,0|2,0,0]=3 16 B13R1.343 O=C(O)CCSCCN1CCCC1 BB53-0589 [0,0,0,1,0,0|2,0,0]=3 17 B13R1.343 O=C(O)CNCCCN1CCCC1 BB52-9248 [0,0,0,1,0,0|2,0,0]=3 18 B13R1.380 O=C(O)CN1CCCCC1CCO BB52-8953 [0,0,0,1,0,0|2,0,0]=3 19 B10R0.4 C#CCCCCCCC(=O)O BB31-4635 [2,0,0,0,0,0|0,0,2]=4 20 B12R0.5 CC\C=C/CCCCCCCCO BB31-7956 [1,1,0,0,0,0|0,0,2]=4 21 B12R0.248 OCCCCCCCCC(O)CO BB31-5476 [1,1,0,0,0,0|1,0,1]=4 22 B14R0.394 N#CCCCCCCCCCCC(=O)O BB32-2948 [0,2,0,0,0,0|0,0,0]=2 23 B14R0.394 O=C(O)CCOCCOCCOCCS BB32-0157 [0,2,0,0,0,0|2,0,0]=4 24 B12R1.18 NCCCN1CCCCCC1=O BB31-4274 [1,0,0,1,0,0|2,0,0]=4 25 B12R1.121 CCC1CCCCN1CCCO BB53-0833 [1,0,0,1,0,0|1,0,1]=4 26 B12R1.75 CCC1CCCCN1CC(=O)O BB52-9893 [1,0,0,1,0,0|1,0,0]=3 27 B12R1.125 CC1CCCCN1CCC(=O)O BB52-9456 [1,0,0,1,0,0|1,0,0]=3 28 B12R1.255 O=C(O)CCNCC1CCCO1 BB52-9538 [1,0,0,1,0,0|2,0,0]=4 29 B12R1.255 O=C(O)CCSCC1CCCO1 BB53-0449 [1,0,0,1,0,0|2,0,0]=4 30 B12R1.255 O=C(O)CNCCN1CCCC1 BB52-9612 [1,0,0,1,0,0|2,0,0]=4 31 B12R1.255 O=C(O)CSCCN1CCCC1 BB53-0583 [1,0,0,1,0,0|2,0,0]=4 32 B14R1.420 O=C(O)CCCC(=O)N1CCCCC1 BB53-0121 [0,1,0,1,0,0|1,0,1]=4 33 B14R1.422 O=C(O)CCNCCN1CCCCC1 BB52-9877 [0,1,0,1,0,0|1,0,0]=3 34 B14R1.422 O=C(O)CCNCCN1CCOCC1 BB52-9758 [0,1,0,1,0,0|2,0,0]=4 35 B14R1.422 O=C(O)CCSCCN1CCCCC1 BB53-0685 [0,1,0,1,0,0|1,0,0]=3 36 B14R1.422 O=C(O)CCSCCN1CCOCC1 BB53-0624 [0,1,0,1,0,0|2,0,0]=4 37 B14R1.422 O=C(O)CNCCCN1CCCCC1 BB53-0559 [0,1,0,1,0,0|1,0,0]=3 38 B14R1.422 O=C(O)CNCCCN1CCOCC1 BB52-9499 [0,1,0,1,0,0|2,0,0]=4 39 B14R1.427 O=C(O)CCNCCCN1CCCC1 BB52-9348 [0,1,0,1,0,0|1,0,0]=3 40 B14R1.482 O=C(O)CCN1CCCCC1CCO BB53-0000 [0,1,0,1,0,0|1,0,0]=3 41 B14R1.6343 O=C(O)CNCCN1CCCCCC1 BB52-9782 [0,1,0,1,0,0|1,0,0]=3 42 B14R1.623 CCCC(=O)N1CCCCC1C(=O)O BB53-0405 [0,1,0,1,0,0|1,0,1]=4 43 B14R1.942 CCCCC(=O)N1CCC[C@H]1C(=O)O BB52-8996 [0,1,0,1,0,0|1,0,1]=4 44 B14R1.3135 CCC1CCCCN1CC(C)C(=O)O BB52-9448 [0,1,0,1,0,0|1,0,0]=3 45 B14R1.3218 CC(CNCCN1CCCC1)C(=O)O BB53-0959 [0,1,0,1,0,0|2,0,0]=4 46 B14R1.6449 CC(SCCN1CCCCC1)C(=O)O BB53-0667 [0,1,0,1,0,0|2,0,0]=4 47 B14R1.160 CC1CCCCN1C(=O)CCC(=O)O BB52-9799 [0,1,0,1,0,0|1,0,1]=4 48 B14R1.840 CCC1CCCCN1C(C)CC(=O)O BB52-9694 [0,1,0,1,0,0|1,0,0]=3 49 B14R1.6454 CC(CC(=O)O)NCCN1CCCC1 BB53-0127 [0,1,0,1,0,0|2,0,0]=4 50 B14R2.31359 O=C(O)C1CCCN2CCCCC12 BB52-1004 [0,0,0,2,0,0|1,0,0]=3