0 B13R1.5773 CCC(C(=O)O)C1(CCCCC1)O Z982137530 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.478 CNC(C(=O)O)C1CCCOC1 Z4510896946 [1,0,0,0,0,0|2,0,0]=3 2 B12R1.478 CNC(C(=O)O)C1CCOCC1 Z3039944439 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.478 COC(C(=O)O)C1CCCCC1 Z1262523951 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.478 COC(C(=O)O)C1CCNCC1 Z3768022479 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.2206 CC1(CCCCC1)C(N)C(=O)O Z1742054995 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.2206 O=C(O)C(O)C1(CCOCC1)O Z2938744041 [1,0,0,0,0,0|2,0,0]=3 7 B14R2.55 O=C(O)C1CCCC12CCOCC2 Z1993636637 [0,0,0,1,0,0|2,0,0]=3 8 B14R2.55 O=C(O)C1CCNC12CCOCC2 Z3614130169 [0,0,0,1,0,0|2,0,0]=3 9 B14R2.55 O=C(O)C1CNCC12CCCCC2 Z3015575588 [0,0,0,1,0,0|2,0,0]=3 10 B14R2.4721 O=C1NCCC1C2(CCOCC2)O Z2216561475 [0,0,0,1,0,0|2,0,0]=3 11 B11R0.76 CCCCCCC(CC)C(=O)O Z756391282 [1,0,1,0,0,0|0,0,0]=2 12 B11R0.76 CCCCCCC(NC)C(=O)O Z446011802 [1,0,1,0,0,0|1,0,0]=3 13 B11R1.12 COC(C=O)C1CCCCC1 Z1511788569 [2,0,0,0,0,0|1,0,0]=3 14 B11R1.12 COC(C=O)C1CCOCC1 Z2217101712 [2,0,0,0,0,0|2,0,0]=4 15 B11R1.12 NCC(CO)C1CCCCC1 Z1198184091 [2,0,0,0,0,0|1,0,1]=4 16 B11R1.36 CC(=O)C(C)C1CCCCC1 Z1255356497 [2,0,0,0,0,0|1,0,0]=3 17 B11R1.36 CC(C(=O)N)N1CCCCC1 Z103698666 [2,0,0,0,0,0|2,0,0]=4 18 B11R1.36 CC(C(=O)O)C1CCNCC1 Z3244908692 [2,0,0,0,0,0|1,0,0]=3 19 B11R1.36 CC(C(=O)O)C1CCOCC1 Z1262520886 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.36 CC(C(=O)O)N1CCCCC1 Z1172068155 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.36 CC(C(=O)O)N1CCSCC1 Z359352804 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 Z1262520045 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.36 NC(C(=O)O)C1CCCCC1 Z752370756 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.36 NC(C(=O)O)C1CCOCC1 Z2895181969 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.36 O=C(O)C(F)C1CCNCC1 Z2733346658 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.36 O=C(O)C(O)C1CCCCC1 Z788000630 [2,0,0,0,0,0|1,0,0]=3 27 B11R1.36 O=C(O)C(O)C1CCCNC1 Z1964357511 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.36 O=C(O)C(O)C1CCNCC1 Z3045554278 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.878 CNC(=O)C1(CCCCC1)O Z1238571778 [2,0,0,0,0,0|1,0,1]=4 30 B11R1.928 CC1(CCCCC1)CC(=O)O Z1255466882 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.928 CC1(CCNCC1)CC(=O)O Z5590137993 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.928 NC(=O)CC1(CCCCC1)N Z2941400913 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.928 NC1(CCCCC1)CC(=O)O Z1741975256 [2,0,0,0,0,0|1,0,0]=3 34 B11R1.928 NC1(CCNCC1)CC(=O)O Z1624323979 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.928 NC1(CCOCC1)CC(=O)O Z2255110164 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.928 O=C(O)CC1(CCCCC1)O Z982131964 [2,0,0,0,0,0|0,0,0]=2 37 B11R1.928 O=C(O)CC1(CCNCC1)O Z3488912123 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.928 O=C(O)CC1(CCOCC1)O Z982132196 [2,0,0,0,0,0|1,0,0]=3 39 B13R1.405 CCOC(C(=O)O)C1CCOCC1 Z1592680810 [1,1,0,0,0,0|1,0,0]=3 40 B13R1.532 CCN(C(=O)CCl)C1CCCCC1 Z56891379 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.532 COC(=O)C(CN)C1CCOCC1 Z1592691445 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.706 CCC(C(=O)N)N1CCC(CC1)N Z1037373692 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.706 CCC(C(=O)O)C1CCC(CC1)C Z1321943720 [1,1,0,0,0,0|0,0,0]=2 44 B13R1.1111 CC(C)C(C(=O)O)N1CCCCC1 Z763367874 [1,1,0,0,0,0|1,0,0]=3 45 B13R1.3085 COC(C)(C(=O)O)C1CCOCC1 Z2961754954 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.2650 COC(=O)C(N)C1(CCCCC1)O Z4091770934 [1,1,0,0,0,0|1,0,0]=3 47 B13R1.8699 O=C(O)C(F)(F)C1(CCNCC1)O Z3216195448 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.6335 NCC(C(=O)O)C1CCCCCC1 Z2894353165 [0,0,1,1,0,0|2,0,0]=4 49 B13R2.15 O=C1NCCC1C2CCCCC2 Z1509320575 [1,0,0,1,0,0|1,0,0]=3 50 B13R2.15 O=C1NCCN1C2CCCCC2 Z1491195507 [1,0,0,1,0,0|2,0,0]=4 51 B13R2.15 O=C1OCCC1N2CCNCC2 Z3244717576 [1,0,0,1,0,0|2,0,0]=4 52 B13R2.15 O=C1OCCN1C2CCNCC2 Z803067914 [1,0,0,1,0,0|2,0,0]=4 53 B13R2.72 O=C(O)C1CCC2N1CCCC2 Z2668441328 [1,0,0,1,0,0|1,0,0]=3 54 B13R2.72 O=C(O)[C@@H]1NC[C@@H]2[C@H]1CCCC2 Z3219251975 [1,0,0,1,0,0|1,0,0]=3 55 B13R2.72 O=C(O)[C@@H]1OC[C@H]2[C@@H]1CCOC2 Z2937461137 [1,0,0,1,0,0|2,0,0]=4 56 B13R2.244 N[C@@H]1[C@H]([C@@H]2[C@H]1CCCC2)C(=O)O Z3800861457 [1,0,0,1,0,0|1,0,0]=3 57 B13R2.437 O=C(O)C1CCC12CCOCC2 Z2572597008 [1,0,0,1,0,0|1,0,0]=3 58 B13R2.439 O=C(O)C1(CC1)C2CCCCO2 Z3221821410 [1,0,0,1,0,0|1,0,0]=3 59 B13R2.439 O=C(O)C1(CC1)C2CCNCC2 Z3035820827 [1,0,0,1,0,0|1,0,0]=3 60 B13R2.439 O=C(O)C1(CC1)C2CCOCC2 Z1321950995 [1,0,0,1,0,0|1,0,0]=3 61 B13R2.439 O=C(O)C1(CC1)N2CCNCC2 Z2510258046 [1,0,0,1,0,0|2,0,0]=4 62 B13R2.439 O=C(O)C1(CC1)N2CCOCC2 Z2489048015 [1,0,0,1,0,0|2,0,0]=4 63 B13R2.3211 OC1(CCNCC1)C2CCOC2 Z3034847128 [1,0,0,1,0,0|1,0,1]=4 64 B13R2.5311 CC1C(=O)CC2CCCC1(C2)O Z1513646686 [1,0,0,1,0,0|1,0,0]=3 65 B13R2.13954 CC12CCN(CC1)CC2C(=O)O Z5229067137 [1,0,0,1,0,0|2,0,0]=4 66 B13R2.35 O=C(O)C1CNCC12CCCC2 Z2692249215 [0,0,0,1,1,0|2,0,0]=4 67 B15R2.16385 O=C(O)C1CNCC12CCCCCC2 Z1172378938 [0,0,0,1,0,1|2,0,0]=4 68 B15R2.161743 O=C(O)C1CC2(CCCCC2)CCN1 Z4990427740 [0,0,0,1,0,1|2,0,0]=4 69 B15R2.161743 O=C(O)C1CCCC2(O1)CCNCC2 Z4399395608 [0,0,0,1,0,1|2,0,0]=4 70 B15R2.161743 O=C(O)C1CCCC2(O1)CCOCC2 Z2168519949 [0,0,0,1,0,1|2,0,0]=4 71 B15R2.161743 O=C(O)C1CCOC2(C1)CCCCC2 Z1359390648 [0,0,0,1,0,1|0,0,0]=2 72 B15R2.161743 O=C(O)C1CCOC2(C1)CCOCC2 Z1359390644 [0,0,0,1,0,1|1,0,0]=3 73 B15R2.62 O=C(O)C1CCOCC12CCCCC2 Z2732759424 [0,1,0,1,0,0|0,0,0]=2 74 B15R2.162731 O=C(O)C1(CCC1)C2(CCCNC2)O Z2903894314 [0,1,0,1,0,0|1,0,0]=3 75 B15R2.103 COC(=O)C1CNCC12CCCCC2 Z2895308920 [0,1,0,1,0,0|2,0,0]=4 76 B15R2.77604 CN1CCC(CC1)(O)C2(CC2)C(=O)O Z3470308117 [0,1,0,1,0,0|1,0,0]=3 77 B15R2.77604 O=C1CCC(CC1)(O)C2(CC2)C(=O)O Z3656876510 [0,1,0,1,0,0|0,0,1]=3 78 B13R1.418 CCC(CC1CCCCC1)C(=O)O Z756391340 [1,0,0,0,0,1|0,0,0]=2 79 B13R1.418 CCC(OC1CCCCC1)C(=O)O Z449367048 [1,0,0,0,0,1|0,0,0]=2 80 B13R1.713 CCC(OC(=O)N)C1CCCCC1 Z1198155507 [1,0,0,0,0,1|1,0,0]=3 81 B13R1.713 CCN(CC(=O)N)C1CCCCC1 Z138297868 [1,0,0,0,0,1|2,0,0]=4 82 B13R1.713 NCC(CC(=O)O)C1CCCCC1 Z2696739934 [1,0,0,0,0,1|1,0,0]=3