0 B10R0.97 C=C(Br)CCCCCC(=O)O MCULE-1129581582 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.97 C=C(C)CCCCCC(=O)O MCULE-6091105789 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.97 C=C(Cl)CCCCCC(=O)O MCULE-6548751857 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.97 CC(=CCCCCC(=O)O)C MCULE-6679290438 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.97 CC(=O)CCCCCC(=O)Cl MCULE-9699420066 [0,0,0,0,0,0|2,0,0]=2 5 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [0,0,0,0,0,0|1,0,0]=1 6 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [0,0,0,0,0,0|2,0,0]=2 7 B10R0.97 CC(=O)NCCOCC(=O)O MCULE-8156973678 [0,0,0,0,0,0|3,0,0]=3 8 B10R0.97 CC(=O)NCSCCC(=O)O MCULE-1672994332 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.97 CC(=O)OCCCCN(=O)=O MCULE-8216543774 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.97 CC(=O)OCCCOC(=O)C MCULE-1867773731 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.97 CC(C)CCCCCC(=O)O MCULE-6934503036 [0,0,0,0,0,0|2,0,1]=3 12 B10R0.97 CC(C)CCCOCC(=O)O MCULE-7389478050 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [0,0,0,0,0,0|1,0,1]=2 14 B10R0.97 CN(C)CCCCCC(=O)O MCULE-1002014230 [0,0,0,0,0,0|3,0,0]=3 15 B10R0.97 CN(C)CCCCCC(=O)O MCULE-2670396647 [0,0,0,0,0,0|3,0,0]=3 16 B10R0.97 N=C(N)CCCCCC(=N)N MCULE-7581700737 [0,0,0,0,0,0|4,0,0]=4 17 B10R0.97 N=C(N)NCCCCC(=O)O MCULE-2807872503 [0,0,0,0,0,0|3,0,0]=3 18 B10R0.97 N=C(N)SCCCCC(=O)O MCULE-6602460811 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.97 NC(=O)CCSCCC(=O)N MCULE-6169485438 [0,0,0,0,0,0|3,0,0]=3 20 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [0,0,0,0,0,0|2,0,0]=2 21 B10R0.97 NC(=[NH2+])SCCCCC(=O)O MCULE-4252972328 [0,0,0,0,0,0|3,0,0]=3 22 B10R0.97 O=C(Cl)CCCCCC(=O)Cl MCULE-6184277171 [0,0,0,0,0,0|2,0,0]=2 23 B10R0.97 O=C(O)CCCCCC(=O)O MCULE-9618389016 [0,0,0,0,0,0|0,0,0]=0 24 B10R0.97 O=C(O)CCCCCC(F)F MCULE-9302536317 [0,0,0,0,0,0|2,0,1]=3 25 B10R0.97 O=C(O)CCCCCN(=O)=O MCULE-4861594242 [0,0,0,0,0,0|1,0,1]=2 26 B10R0.97 O=C(O)CCCCON(=O)=O MCULE-6522646680 [0,0,0,0,0,0|2,0,1]=3 27 B10R0.97 O=C(O)CCNCCC(=O)O MCULE-9497656945 [0,0,0,0,0,0|1,0,0]=1 28 B10R0.97 O=C(O)CCOCCC(=O)O MCULE-3213537394 [0,0,0,0,0,0|1,0,0]=1 29 B10R0.97 O=C(O)CCSCCC(=O)O MCULE-1300073378 [0,0,0,0,0,0|1,0,0]=1 30 B10R0.97 O=C(O)CSCSCC(=O)O MCULE-7223873834 [0,0,0,0,0,0|2,0,0]=2 31 B9R0.2 C#CCCCCCC(=O)O MCULE-4594227399 [1,0,0,0,0,0|1,0,1]=3 32 B9R0.2 C=CCCCCCC(=O)C MCULE-7133840219 [1,0,0,0,0,0|2,0,0]=3 33 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [1,0,0,0,0,0|1,0,0]=2 34 B9R0.2 C=CCCCCCN(=O)=O MCULE-8090586611 [1,0,0,0,0,0|2,0,1]=4 35 B9R0.2 C=CCCCCOC(=O)C MCULE-4254881456 [1,0,0,0,0,0|3,0,0]=4 36 B9R0.2 C=CCOCCCC(=O)O MCULE-5276221892 [1,0,0,0,0,0|2,0,0]=3 37 B9R0.2 CC(=O)CCCCCCN MCULE-5842243037 [1,0,0,0,0,0|2,0,1]=4 38 B9R0.2 CC(=O)CCCCCCN MCULE-6017408205 [1,0,0,0,0,0|2,0,1]=4 39 B9R0.2 CCCCCCCC(=O)C MCULE-9635928766 [1,0,0,0,0,0|2,0,1]=4 40 B9R0.2 CCCCCCCC(=O)Cl MCULE-9979489292 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.2 CCCCCCCC(=O)N MCULE-8774193381 [1,0,0,0,0,0|2,0,1]=4 42 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [1,0,0,0,0,0|1,0,1]=3 43 B9R0.2 CCCCCCCC(=O)[O-] MCULE-3608650495 [1,0,0,0,0,0|1,0,2]=4 44 B9R0.2 CCCCCCCC(=O)[O-] MCULE-8227046407 [1,0,0,0,0,0|1,0,2]=4 45 B9R0.2 CCCCCOCC(=O)O MCULE-8190672624 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [1,0,0,0,0,0|2,0,1]=4 49 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [1,0,0,0,0,0|2,0,1]=4 50 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [1,0,0,0,0,0|2,0,1]=4 51 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [1,0,0,0,0,0|2,0,1]=4 52 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [1,0,0,0,0,0|2,0,1]=4 53 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [1,0,0,0,0,0|2,0,0]=3 54 B9R0.2 CNCCOCCC(=O)O MCULE-6581967922 [1,0,0,0,0,0|3,0,0]=4 55 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [1,0,0,0,0,0|2,0,0]=3 56 B9R0.2 COCCCOCC(=O)O MCULE-7774967166 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.2 COCCNCCC(=O)O MCULE-3571993123 [1,0,0,0,0,0|3,0,0]=4 58 B9R0.2 COCCOCCC(=O)O MCULE-5125891492 [1,0,0,0,0,0|3,0,0]=4 59 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [1,0,0,0,0,0|2,0,0]=3 60 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [1,0,0,0,0,0|2,0,0]=3 61 B9R0.2 N#CCCCCCC(=O)O MCULE-6510846674 [1,0,0,0,0,0|1,0,1]=3 62 B9R0.2 N#CCCNCCC(=O)O MCULE-5749626028 [1,0,0,0,0,0|2,0,1]=4 63 B9R0.2 N#N=NCCCCC(=O)O MCULE-6676414217 [1,0,0,0,0,0|3,0,0]=4 64 B9R0.2 NC(=O)CCCCCCO MCULE-7432797193 [1,0,0,0,0,0|1,0,1]=3 65 B9R0.2 NC(=O)CCNCCCO MCULE-1089880795 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.2 NC(=O)CCNCCCO MCULE-8808474432 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.2 NCCCCCCC(=O)N MCULE-9587339996 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [1,0,0,0,0,0|1,0,1]=3 69 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [1,0,0,0,0,0|1,0,1]=3 70 B9R0.2 NOCCCCCC(=O)O MCULE-3221083368 [1,0,0,0,0,0|2,0,0]=3 71 B9R0.2 NOCCCCCC(=O)O MCULE-6721085396 [1,0,0,0,0,0|2,0,0]=3 72 B9R0.2 NOCCCCCC(=O)O MCULE-7170875932 [1,0,0,0,0,0|2,0,0]=3 73 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [1,0,0,0,0,0|1,0,1]=3 74 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [1,0,0,0,0,0|1,0,1]=3 75 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [1,0,0,0,0,0|0,0,1]=2 76 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [1,0,0,0,0,0|0,1,1]=3 77 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [1,0,0,0,0,0|1,0,1]=3 78 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [1,0,0,0,0,0|1,0,1]=3 79 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [1,0,0,0,0,0|0,0,0]=1 80 B9R0.2 O=N(=O)CCCCCCO MCULE-4612254871 [1,0,0,0,0,0|1,0,2]=4 81 B11R0.6 CC(=CCCC(C)CC(=O)O)C MCULE-3455137708 [0,1,0,0,0,0|2,0,1]=4 82 B11R0.6 CC(=CCC[C@@H](C)CC(=O)O)C MCULE-1765346802 [0,1,0,0,0,0|2,0,1]=4 83 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C MCULE-2400113823 [0,1,0,0,0,0|2,0,1]=4 84 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C MCULE-9691367682 [0,1,0,0,0,0|2,0,1]=4 85 B11R0.6 CC(C)CCCC(C)CC(=O)O MCULE-9388582884 [0,1,0,0,0,0|2,0,1]=4 86 B11R0.6 CC(C)CCCC(O)CC(=O)O MCULE-1375657381 [0,1,0,0,0,0|2,0,1]=4 87 B11R0.6 [C@@H](C)(CCC=C(C)C)CC(=O)O MCULE-1438242882 [0,1,0,0,0,0|2,0,1]=4 88 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5358658112 [0,1,0,0,0,0|3,0,0]=4 89 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5606810596 [0,1,0,0,0,0|3,0,0]=4 90 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-7980342928 [0,1,0,0,0,0|3,0,0]=4 91 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8195408633 [0,1,0,0,0,0|3,0,0]=4 92 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8216004356 [0,1,0,0,0,0|3,0,0]=4 93 B11R0.29 CC(=O)C(C)CCCCC(=O)O MCULE-7016988868 [0,1,0,0,0,0|1,0,0]=2 94 B11R0.29 CC(=O)NCCCC(N)C(=O)O MCULE-5671867593 [0,1,0,0,0,0|2,0,0]=3 95 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-1987849167 [0,1,0,0,0,0|2,0,0]=3 96 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-5655137268 [0,1,0,0,0,0|2,0,0]=3 97 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-1709640374 [0,1,0,0,0,0|3,0,0]=4 98 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-3550759506 [0,1,0,0,0,0|3,0,0]=4 99 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-6373295824 [0,1,0,0,0,0|3,0,0]=4 100 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7013130042 [0,1,0,0,0,0|3,0,0]=4 101 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7188611038 [0,1,0,0,0,0|3,0,0]=4 102 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-8606728410 [0,1,0,0,0,0|3,0,0]=4 103 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O MCULE-2695923449 [0,1,0,0,0,0|3,0,0]=4 104 B11R0.29 CN(C)CCCCC(N)C(=O)O MCULE-6147962384 [0,1,0,0,0,0|3,0,0]=4 105 B11R0.29 CN(C)CCCCC(N)C(=O)O MCULE-7967152551 [0,1,0,0,0,0|3,0,0]=4 106 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-3135800759 [0,1,0,0,0,0|3,0,0]=4 107 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-4133814403 [0,1,0,0,0,0|3,0,0]=4 108 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-7654882207 [0,1,0,0,0,0|3,0,0]=4 109 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-8592172298 [0,1,0,0,0,0|3,0,0]=4 110 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-3125760737 [0,1,0,0,0,0|3,0,0]=4 111 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-5122302808 [0,1,0,0,0,0|3,0,0]=4 112 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-6153263942 [0,1,0,0,0,0|3,0,0]=4 113 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-9072241723 [0,1,0,0,0,0|3,0,0]=4 114 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-1262352579 [0,1,0,0,0,0|3,0,0]=4 115 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-3838347198 [0,1,0,0,0,0|3,0,0]=4 116 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-8676148534 [0,1,0,0,0,0|3,0,0]=4 117 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-9872369459 [0,1,0,0,0,0|3,0,0]=4 118 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-1290049418 [0,1,0,0,0,0|3,0,0]=4 119 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-4214642097 [0,1,0,0,0,0|3,0,0]=4 120 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-5108123240 [0,1,0,0,0,0|3,0,0]=4 121 B11R0.29 N=C(N)NCCC[C@H](O)C(=O)O MCULE-5530430751 [0,1,0,0,0,0|3,0,0]=4 122 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-4923497703 [0,1,0,0,0,0|3,0,0]=4 123 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-6690848404 [0,1,0,0,0,0|3,0,0]=4 124 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-8512874772 [0,1,0,0,0,0|3,0,0]=4 125 B11R0.29 NC(=NCCC[C@H](N)C(=O)O)N MCULE-6159466147 [0,1,0,0,0,0|3,0,0]=4 126 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-3107139098 [0,1,0,0,0,0|2,0,0]=3 127 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9077514633 [0,1,0,0,0,0|2,0,0]=3 128 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9892421890 [0,1,0,0,0,0|2,0,0]=3 129 B11R0.29 NC(=O)NCCCC(N)C(=O)S MCULE-6427757419 [0,1,0,0,0,0|2,1,0]=4 130 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-7003128917 [0,1,0,0,0,0|2,0,0]=3 131 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-9135693560 [0,1,0,0,0,0|2,0,0]=3 132 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-2081339988 [0,1,0,0,0,0|2,0,0]=3 133 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5380647071 [0,1,0,0,0,0|2,0,0]=3 134 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5746772887 [0,1,0,0,0,0|2,0,0]=3 135 B11R0.29 NC(=S)NCCC[C@H](N)C(=O)O MCULE-9458174752 [0,1,0,0,0,0|2,1,0]=4 136 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,1,0,0,0,0|0,0,0]=1 137 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-7425052021 [0,1,0,0,0,0|2,0,1]=4 138 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-8991194580 [0,1,0,0,0,0|2,0,1]=4 139 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [0,1,0,0,0,0|1,0,0]=2 140 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-3187192569 [0,1,0,0,0,0|1,0,1]=3 141 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7635800556 [0,1,0,0,0,0|1,0,1]=3 142 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7716159403 [0,1,0,0,0,0|1,0,1]=3 143 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-8309654000 [0,1,0,0,0,0|1,0,1]=3 144 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,1,0,0,0,0|0,0,0]=1 145 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,1,0,0,0,0|0,0,0]=1 146 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-1378566517 [0,1,0,0,0,0|2,0,1]=4 147 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-2158139364 [0,1,0,0,0,0|2,0,1]=4 148 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8839722581 [0,1,0,0,0,0|2,0,1]=4 149 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8903543883 [0,1,0,0,0,0|2,0,1]=4 150 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [0,1,0,0,0,0|1,0,0]=2 151 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [0,1,0,0,0,0|1,0,0]=2 152 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,1,0,0,0,0|0,0,0]=1 153 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,1,0,0,0,0|0,0,0]=1 154 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [0,1,0,0,0,0|1,0,0]=2 155 B11R0.29 O=C(O)CCCCC(=O)C(=O)O MCULE-2399783714 [0,1,0,0,0,0|0,0,1]=2 156 B11R0.29 [C@H](N)(CCCNC(=N)N)C(=O)O MCULE-3794564775 [0,1,0,0,0,0|3,0,0]=4 157 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-5543687296 [0,1,0,0,0,0|3,0,0]=4 158 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-9668621656 [0,1,0,0,0,0|3,0,0]=4 159 B11R0.29 [C@H]([NH3+])(CSCNC(=O)C)C(=O)O MCULE-9323832704 [0,1,0,0,0,0|3,0,0]=4 160 B11R0.31 CC(C)(C)CCCCCC(=O)O MCULE-1306261101 [0,1,0,0,0,0|2,0,1]=4 161 B11R0.31 C[Si](C)(C)CCCCCC(=O)O MCULE-9270767332 [0,1,0,0,0,0|2,1,0]=4 162 B11R0.31 NS(=O)(=O)CCCCCC(=O)O MCULE-7600274441 [0,1,0,0,0,0|1,0,1]=3 163 B11R0.31 O=C(O)CCCCCC(F)(F)F MCULE-8315550551 [0,1,0,0,0,0|2,0,1]=4 164 B11R0.31 O=C(O)CCCCCP(=O)(O)O MCULE-8946955517 [0,1,0,0,0,0|1,0,0]=2 165 B11R0.85 CC(=O)CCC(=O)CCC(=O)O MCULE-5526835762 [0,1,0,0,0,0|1,0,1]=3 166 B11R0.85 CC(C)CCC(N)CCC(=O)O MCULE-9725755461 [0,1,0,0,0,0|2,0,1]=4 167 B11R0.85 CN(CCC(=O)O)CCC(=O)O MCULE-6422087692 [0,1,0,0,0,0|1,0,0]=2 168 B11R0.85 CN(CCC(=O)O)CCC(=O)O MCULE-9753433782 [0,1,0,0,0,0|1,0,0]=2 169 B11R0.85 NC(=O)CCS(=O)CCC(=O)N MCULE-8007819304 [0,1,0,0,0,0|3,0,0]=4 170 B11R0.85 NC(=O)CNC(=O)CCC(=O)O MCULE-2519011568 [0,1,0,0,0,0|2,0,1]=4 171 B11R0.85 NC(CCC(=O)O)CCC(=O)O MCULE-1718560114 [0,1,0,0,0,0|0,0,0]=1 172 B11R0.85 O=C(O)CCC(=O)CCC(=O)O MCULE-2914369907 [0,1,0,0,0,0|0,0,1]=2 173 B11R0.85 O=C(O)CCC(=O)CCN(=O)=O MCULE-2588325470 [0,1,0,0,0,0|1,0,2]=4 174 B11R0.85 O=C(O)CCC(=O)NCC(=O)O MCULE-7360241516 [0,1,0,0,0,0|1,0,1]=3 175 B11R0.85 O=C(O)CCS(=O)CCC(=O)O MCULE-6732412360 [0,1,0,0,0,0|1,0,0]=2 176 B11R0.85 O=C(O)CSC(=S)SCC(=O)O MCULE-1853026961 [0,1,0,0,0,0|2,0,1]=4 177 B11R0.111 CCC(=O)CCCCCC(=O)O MCULE-8603570043 [0,1,0,0,0,0|1,0,0]=2 178 B11R0.111 CCC(C)CCCCCC(=O)O MCULE-5195758876 [0,1,0,0,0,0|2,0,1]=4 179 B11R0.111 COC(=O)CCCCCC(=O)O MCULE-7307151830 [0,1,0,0,0,0|0,0,0]=1 180 B11R0.111 COC(=O)CCCCCN(=O)=O MCULE-7934969106 [0,1,0,0,0,0|1,0,1]=3 181 B11R0.111 COC(=O)COCCCN(=O)=O MCULE-9815504635 [0,1,0,0,0,0|2,0,1]=4 182 B11R0.111 O=C(O)CCCSCC(O)CO MCULE-6771933903 [0,1,0,0,0,0|1,0,2]=4 183 B11R1.75 CC1=NN(CC1)CCC(=O)O MCULE-4908327918 [0,0,0,1,0,0|3,0,0]=4 184 B11R1.75 CC1CCC(O1)CCC(=O)O MCULE-5394626301 [0,0,0,1,0,0|1,0,1]=3 185 B11R1.75 O=C(O)CCC1CCC(=O)C1 MCULE-4974585357 [0,0,0,1,0,0|1,0,0]=2 186 B11R1.75 O=C(O)CCC1CCC(=O)N1 MCULE-5441119091 [0,0,0,1,0,0|1,0,0]=2 187 B11R1.75 O=C(O)CCC1CCC(=O)O1 MCULE-8294926143 [0,0,0,1,0,0|0,0,0]=1 188 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)O1 MCULE-3037208101 [0,0,0,1,0,0|0,0,0]=1 189 B11R1.75 O=C(O)CSC1CCC(=O)N1 MCULE-5586941236 [0,0,0,1,0,0|2,0,0]=3 190 B11R1.157 CC(=O)CC1CCCC(=O)N1 MCULE-4485387072 [0,0,0,1,0,0|2,0,0]=3 191 B11R1.157 CC1CCCC(C1)CC(=O)O MCULE-8177394227 [0,0,0,1,0,0|2,0,1]=4 192 B11R1.157 CN1CCCC(C1)CC(=O)O MCULE-3307095078 [0,0,0,1,0,0|3,0,0]=4 193 B11R1.157 CN1CCCC(C1)CC(=O)O MCULE-6317011723 [0,0,0,1,0,0|3,0,0]=4 194 B11R1.157 O=C(O)CC1CCCC(=O)C1 MCULE-2070450942 [0,0,0,1,0,0|1,0,0]=2 195 B11R1.157 O=C(O)CC1CCCC(=O)N1 MCULE-7470301343 [0,0,0,1,0,0|1,0,0]=2 196 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-3498688720 [0,0,0,1,0,0|2,0,0]=3 197 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-8598228573 [0,0,0,1,0,0|2,0,0]=3 198 B11R1.157 O=C(O)CN1CCCC(C1)O MCULE-4186047458 [0,0,0,1,0,0|2,0,1]=4 199 B11R1.157 O=C(O)CN1CCC[C@@H](C1)O MCULE-3402932405 [0,0,0,1,0,0|2,0,1]=4 200 B11R1.157 O=C(O)CN1CCC[C@H](C1)O MCULE-4870964189 [0,0,0,1,0,0|2,0,1]=4 201 B11R1.157 O=C(O)CN1CCNC(=O)C1 MCULE-4021947928 [0,0,0,1,0,0|3,0,0]=4 202 B11R1.157 O=C(O)CN1CCNC(=O)C1 MCULE-8867275494 [0,0,0,1,0,0|3,0,0]=4 203 B11R1.157 O=C(O)CN1CCOC(=O)C1 MCULE-8468609722 [0,0,0,1,0,0|3,0,0]=4 204 B11R1.157 O=C1CCCC(C1)CN(=O)=O MCULE-5782908029 [0,0,0,1,0,0|2,0,1]=4 205 B11R1.177 CC1(CCCCC1C(=O)O)C MCULE-4989852289 [0,0,0,1,0,0|2,0,1]=4 206 B11R1.177 CC1(CCCCC1C(=O)O)N MCULE-1044966713 [0,0,0,1,0,0|2,0,1]=4 207 B11R1.177 CC1(CCCCC1C(=O)O)N MCULE-6249137013 [0,0,0,1,0,0|2,0,1]=4 208 B11R1.177 C[C@@]1(CCCC[C@H]1C(=O)O)N MCULE-6684164155 [0,0,0,1,0,0|2,0,1]=4 209 B11R1.177 C[C@]1(CCCC[C@@H]1C(=O)O)N MCULE-2495356747 [0,0,0,1,0,0|2,0,1]=4 210 B11R1.177 C[C@]1(CCCC[C@@H]1C(=O)O)N MCULE-4525597115 [0,0,0,1,0,0|2,0,1]=4 211 B11R1.177 O=C(O)C1CCCCC1(F)F MCULE-7249376708 [0,0,0,1,0,0|2,0,1]=4 212 B11R1.178 CC(=O)N1CCCC1C(=O)N MCULE-3826239589 [0,0,0,1,0,0|3,0,0]=4 213 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-1813411528 [0,0,0,1,0,0|2,0,0]=3 214 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-9022800854 [0,0,0,1,0,0|2,0,0]=3 215 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-1405603447 [0,0,0,1,0,0|2,0,0]=3 216 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-9216589773 [0,0,0,1,0,0|2,0,0]=3 217 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N MCULE-2667654412 [0,0,0,1,0,0|3,0,0]=4 218 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N MCULE-3510789923 [0,0,0,1,0,0|3,0,0]=4 219 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-1169221802 [0,0,0,1,0,0|2,0,0]=3 220 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-9915147289 [0,0,0,1,0,0|2,0,0]=3 221 B11R1.178 CC(=O)N1CCS[C@H]1C(=O)O MCULE-1643107830 [0,0,0,1,0,0|3,0,0]=4 222 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-6153628068 [0,0,0,1,0,0|3,0,0]=4 223 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-9095175540 [0,0,0,1,0,0|3,0,0]=4 224 B11R1.178 CC(=O)N1CSC[C@@H]1C(=O)O MCULE-5248938328 [0,0,0,1,0,0|3,0,0]=4 225 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-4068934366 [0,0,0,1,0,0|3,0,0]=4 226 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-8624310818 [0,0,0,1,0,0|3,0,0]=4 227 B11R1.178 N=C(N)N1CCCC1C(=O)O MCULE-4919079296 [0,0,0,1,0,0|3,0,0]=4 228 B11R1.178 NC(=O)C1CCCC1C(=O)N MCULE-4017914562 [0,0,0,1,0,0|2,0,0]=3 229 B11R1.178 NC(=O)N1CCCC1C(=O)O MCULE-2099814008 [0,0,0,1,0,0|2,0,0]=3 230 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-1581234645 [0,0,0,1,0,0|2,0,0]=3 231 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-2695707693 [0,0,0,1,0,0|2,0,0]=3 232 B11R1.178 NC(=S)N1CCCC1C(=O)O MCULE-7138642484 [0,0,0,1,0,0|2,1,0]=4 233 B11R1.178 O=C(O)C1=C(CCC1)C(=O)O MCULE-7488890401 [0,0,0,1,0,0|0,0,2]=3 234 B11R1.178 O=C(O)C1CCCC1C(=O)O MCULE-1370613174 [0,0,0,1,0,0|0,0,0]=1 235 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-2316581520 [0,0,0,1,0,0|1,0,0]=2 236 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-9331741117 [0,0,0,1,0,0|1,0,0]=2 237 B11R1.178 O=C(O)C1COCC1C(=O)O MCULE-4469020347 [0,0,0,1,0,0|1,0,0]=2 238 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)O MCULE-1970767326 [0,0,0,1,0,0|1,0,0]=2 239 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-5772739452 [0,0,0,1,0,0|0,0,0]=1 240 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-6923663809 [0,0,0,1,0,0|0,0,0]=1 241 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O MCULE-7094844570 [0,0,0,1,0,0|1,0,0]=2 242 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O MCULE-2959853524 [0,0,0,1,0,0|1,0,0]=2 243 B11R1.178 O=C(O)[C@@H]1COC[C@H]1C(=O)O MCULE-9190757159 [0,0,0,1,0,0|1,0,0]=2 244 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O MCULE-2898188373 [0,0,0,1,0,0|0,0,0]=1 245 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-4154653911 [0,0,0,1,0,0|1,0,0]=2 246 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-5321587208 [0,0,0,1,0,0|1,0,0]=2 247 B11R1.234 CC1(CCCC1CC(=O)O)C MCULE-1912808272 [0,0,0,1,0,0|2,0,1]=4 248 B11R1.234 O=C(O)CC1CCCC1(F)F MCULE-3429329243 [0,0,0,1,0,0|2,0,1]=4 249 B11R1.234 O=C(O)CC1CCCS1(=O)=O MCULE-9153779974 [0,0,0,1,0,0|1,0,1]=3 250 B11R1.234 O=C(O)CN1CCCS1(=O)=O MCULE-1444102239 [0,0,0,1,0,0|2,0,1]=4 251 B11R1.497 CC(=O)C1CCCCC(=O)C1 MCULE-8090726810 [0,0,0,1,0,0|2,0,0]=3 252 B11R1.497 NC(=O)C1CSCCC(=O)N1 MCULE-9167752507 [0,0,0,1,0,0|3,0,0]=4 253 B11R1.497 NC1CCCCC(C1)C(=O)O MCULE-6764464855 [0,0,0,1,0,0|2,0,1]=4 254 B11R1.497 O=C(O)C1CCCCC(C1)O MCULE-8775414897 [0,0,0,1,0,0|1,0,1]=3 255 B11R1.497 O=C1CCCCC(C1)C(=O)O MCULE-7646723801 [0,0,0,1,0,0|1,0,0]=2 256 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [0,0,0,1,0,0|1,0,0]=2 257 B11R1.497 O=C1CCSCC(N1)C(=O)O MCULE-1237852498 [0,0,0,1,0,0|2,0,0]=3 258 B11R1.740 O=C(O)CC1CC1CC(=O)O MCULE-8348402050 [0,0,0,1,0,0|0,0,0]=1 259 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [0,0,0,0,1,0|2,0,0]=3 260 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [0,0,0,0,1,0|2,0,0]=3 261 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [0,0,0,0,1,0|2,0,0]=3 262 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [0,0,0,0,1,0|2,0,1]=4 263 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [0,0,0,0,1,0|2,0,0]=3 264 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [0,0,0,0,1,0|1,0,0]=2 265 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [0,0,0,0,1,0|3,0,0]=4 266 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [0,0,0,0,1,0|2,0,0]=3 267 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [0,0,0,0,1,0|2,0,0]=3 268 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [0,0,0,0,1,0|2,0,0]=3 269 B9R0.55 CC(C)CCCCC(=O)O MCULE-9552597130 [0,0,0,0,1,0|2,0,1]=4 270 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [0,0,0,0,1,0|2,0,1]=4 271 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [0,0,0,0,1,0|2,0,1]=4 272 B9R0.55 CN(C)CCCCC(=O)O MCULE-9080305665 [0,0,0,0,1,0|3,0,0]=4 273 B9R0.55 CN(C)CCCCC(=O)O MCULE-9325797900 [0,0,0,0,1,0|3,0,0]=4 274 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [0,0,0,0,1,0|3,0,0]=4 275 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [0,0,0,0,1,0|2,0,0]=3 276 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [0,0,0,0,1,0|1,0,0]=2 277 B9R0.55 NC(=O)CCNCC(=O)N MCULE-5287507547 [0,0,0,0,1,0|3,0,0]=4 278 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [0,0,0,0,1,0|2,0,0]=3 279 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [0,0,0,0,1,0|2,0,0]=3 280 B9R0.55 O=C(Cl)CCCCC(=O)Cl MCULE-9846069486 [0,0,0,0,1,0|2,0,0]=3 281 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [0,0,0,0,1,0|0,0,2]=3 282 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [0,0,0,0,1,0|0,0,2]=3 283 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [0,0,0,0,1,0|0,0,2]=3 284 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [0,0,0,0,1,0|0,0,2]=3 285 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [0,0,0,0,1,0|0,0,0]=1 286 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [0,0,0,0,1,0|0,0,0]=1 287 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [0,0,0,0,1,0|0,0,0]=1 288 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [0,0,0,0,1,0|0,0,0]=1 289 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [0,0,0,0,1,0|0,0,0]=1 290 B9R0.55 O=C(O)CCCCC(F)F MCULE-4491962830 [0,0,0,0,1,0|2,0,1]=4 291 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [0,0,0,0,1,0|2,0,0]=3 292 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [0,0,0,0,1,0|2,0,0]=3 293 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [0,0,0,0,1,0|2,0,0]=3 294 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [0,0,0,0,1,0|0,0,1]=2 295 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [0,0,0,0,1,0|0,0,1]=2 296 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [0,0,0,0,1,0|0,0,1]=2 297 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-3830406639 [0,0,0,0,1,0|0,0,2]=3 298 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-8364635624 [0,0,0,0,1,0|0,0,2]=3 299 B11R0.30 C=C(Br)CCCCCCC(=O)O MCULE-6895852201 [0,0,0,0,0,1|2,0,0]=3 300 B11R0.30 C=C(Br)CCCCCOC(=O)C MCULE-7095717720 [0,0,0,0,0,1|3,0,0]=4 301 B11R0.30 C=C(C)CCCCCCC(=O)O MCULE-4818988928 [0,0,0,0,0,1|2,0,0]=3 302 B11R0.30 C=C(C)CCCCCOC(=O)C MCULE-3589037568 [0,0,0,0,0,1|3,0,0]=4 303 B11R0.30 C=C(Cl)CCCCCCC(=O)O MCULE-6082663554 [0,0,0,0,0,1|2,0,0]=3 304 B11R0.30 C=C(Cl)CCCCCOC(=O)C MCULE-4988132858 [0,0,0,0,0,1|3,0,0]=4 305 B11R0.30 CC(=O)CCCCCCC(=O)C MCULE-3854362746 [0,0,0,0,0,1|2,0,0]=3 306 B11R0.30 CC(=O)CCCCCCC(=O)O MCULE-6390414263 [0,0,0,0,0,1|1,0,0]=2 307 B11R0.30 CC(=O)NCCCCCC(=O)Cl MCULE-3079585004 [0,0,0,0,0,1|2,0,0]=3 308 B11R0.30 CC(=O)NCCCCCC(=O)O MCULE-2324288602 [0,0,0,0,0,1|1,0,0]=2 309 B11R0.30 CC(=O)NCCCCNC(=O)C MCULE-9435743413 [0,0,0,0,0,1|3,0,0]=4 310 B11R0.30 CC(=O)OCCCCCN(=O)=O MCULE-3305732558 [0,0,0,0,0,1|2,0,1]=4 311 B11R0.30 CC(=O)OCCCCOC(=O)C MCULE-1931173171 [0,0,0,0,0,1|3,0,0]=4 312 B11R0.30 CC(=O)SCCCCCC(=O)O MCULE-7058924302 [0,0,0,0,0,1|1,0,0]=2 313 B11R0.30 CC(C)CCCCCCC(=O)O MCULE-7144406547 [0,0,0,0,0,1|2,0,1]=4 314 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [0,0,0,0,0,1|1,0,1]=3 315 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5163840640 [0,0,0,0,0,1|3,0,0]=4 316 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5248234243 [0,0,0,0,0,1|3,0,0]=4 317 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-3719990664 [0,0,0,0,0,1|2,0,0]=3 318 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-6681139380 [0,0,0,0,0,1|2,0,0]=3 319 B11R0.30 NC(=O)CCSSCCC(=O)N MCULE-5939885983 [0,0,0,0,0,1|3,0,0]=4 320 B11R0.30 NC(=O)NCCCCCC(=O)O MCULE-5723327422 [0,0,0,0,0,1|1,0,0]=2 321 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl MCULE-1634153909 [0,0,0,0,0,1|2,0,0]=3 322 B11R0.30 O=C(Cl)OCCCCOC(=O)Cl MCULE-2439516871 [0,0,0,0,0,1|3,0,0]=4 323 B11R0.30 O=C(O)CC/C=C/CCC(=O)O MCULE-1948311077 [0,0,0,0,0,1|0,0,1]=2 324 B11R0.30 O=C(O)CCC=CCCC(=O)O MCULE-2875946233 [0,0,0,0,0,1|0,0,1]=2 325 B11R0.30 O=C(O)CCCCCCC(=O)O MCULE-1380155289 [0,0,0,0,0,1|0,0,0]=1 326 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2095125616 [0,0,0,0,0,1|0,0,0]=1 327 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2375984351 [0,0,0,0,0,1|0,0,0]=1 328 B11R0.30 O=C(O)CCCNCCC(=O)O MCULE-6189914759 [0,0,0,0,0,1|0,0,0]=1 329 B11R0.30 O=C(O)CCCNCCC(=O)O MCULE-8504773832 [0,0,0,0,0,1|0,0,0]=1 330 B11R0.30 O=C(O)CCSSCCC(=O)O MCULE-3923810057 [0,0,0,0,0,1|1,0,0]=2 331 B11R0.30 O=C(O)CNCCNCC(=O)O MCULE-1432102503 [0,0,0,0,0,1|1,0,0]=2 332 B11R0.30 O=C(O)COCCOCC(=O)O MCULE-8327328188 [0,0,0,0,0,1|1,0,0]=2 333 B11R0.30 O=C(O)CSCCSCC(=O)O MCULE-2894370528 [0,0,0,0,0,1|1,0,0]=2 334 B8R0.4 C#CCCCCCC=O MCULE-6168802703 [2,0,0,0,0,0|1,0,1]=4 335 B8R0.4 C=CCCCCCC=C MCULE-3963888938 [2,0,0,0,0,0|2,0,0]=4 336 B8R0.4 C=CCCCCCC=O MCULE-9514877352 [2,0,0,0,0,0|1,0,0]=3 337 B8R0.4 C=CCCCCCCO MCULE-8561904793 [2,0,0,0,0,0|1,0,1]=4 338 B8R0.4 CCCCCCCC=O MCULE-7111365457 [2,0,0,0,0,0|1,0,1]=4 339 B8R0.4 O=CCCCCCC=O MCULE-7016999051 [2,0,0,0,0,0|0,0,0]=2 340 B8R0.4 O=CCCCCCCBr MCULE-3046622133 [2,0,0,0,0,0|1,0,1]=4 341 B8R0.4 OCCCCCCCO MCULE-1201837142 [2,0,0,0,0,0|0,0,2]=4 342 B8R0.7 C#CCCCCC(=O)O MCULE-5828767633 [2,0,0,0,0,0|0,0,2]=4 343 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [2,0,0,0,0,0|1,0,1]=4 344 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [2,0,0,0,0,0|0,0,1]=3 345 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [2,0,0,0,0,0|1,0,1]=4 346 B8R0.7 C=CCCOCC(=O)O MCULE-8626594933 [2,0,0,0,0,0|1,0,1]=4 347 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [2,0,0,0,0,0|1,0,1]=4 348 B8R0.7 CC(=O)CCCCCBr MCULE-8946921118 [2,0,0,0,0,0|2,0,0]=4 349 B8R0.7 CC(=O)CCCCCN MCULE-3568024595 [2,0,0,0,0,0|2,0,0]=4 350 B8R0.7 CC(=O)CCCCCN MCULE-9938894581 [2,0,0,0,0,0|2,0,0]=4 351 B8R0.7 CC(=O)CCCOC=O MCULE-7473574321 [2,0,0,0,0,0|2,0,0]=4 352 B8R0.7 CC(=O)NCCCCO MCULE-5119895862 [2,0,0,0,0,0|2,0,0]=4 353 B8R0.7 CC(=O)OCCCCO MCULE-7064721476 [2,0,0,0,0,0|2,0,0]=4 354 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [2,0,0,0,0,0|1,0,1]=4 355 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [2,0,0,0,0,0|1,0,1]=4 356 B8R0.7 CCCCCCC(=O)Cl MCULE-8559884798 [2,0,0,0,0,0|1,0,1]=4 357 B8R0.7 CCCCCCC(=O)N MCULE-1210996881 [2,0,0,0,0,0|1,0,1]=4 358 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [2,0,0,0,0,0|0,0,1]=3 359 B8R0.7 CCCCCCC(=O)[O-] MCULE-1711655800 [2,0,0,0,0,0|0,0,2]=4 360 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [2,0,0,0,0,0|1,0,1]=4 361 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [2,0,0,0,0,0|1,0,1]=4 362 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [2,0,0,0,0,0|1,0,1]=4 363 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [2,0,0,0,0,0|1,0,1]=4 364 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [2,0,0,0,0,0|1,0,1]=4 365 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [2,0,0,0,0,0|1,0,1]=4 366 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [2,0,0,0,0,0|1,0,1]=4 367 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [2,0,0,0,0,0|1,0,1]=4 368 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [2,0,0,0,0,0|1,0,1]=4 369 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [2,0,0,0,0,0|1,0,1]=4 370 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [2,0,0,0,0,0|1,0,1]=4 371 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [2,0,0,0,0,0|1,0,1]=4 372 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [2,0,0,0,0,0|1,0,1]=4 373 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [2,0,0,0,0,0|1,0,1]=4 374 B8R0.7 N#CCCCCC(=O)O MCULE-1900756226 [2,0,0,0,0,0|1,0,1]=4 375 B8R0.7 NC(=O)CCCCCBr MCULE-6938202710 [2,0,0,0,0,0|2,0,0]=4 376 B8R0.7 NC(=O)CCCCCO MCULE-2654184294 [2,0,0,0,0,0|1,0,0]=3 377 B8R0.7 NCCCCCC(=O)N MCULE-1692086577 [2,0,0,0,0,0|2,0,0]=4 378 B8R0.7 NCCCCCC(=O)N MCULE-2191237198 [2,0,0,0,0,0|2,0,0]=4 379 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [2,0,0,0,0,0|1,0,0]=3 380 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [2,0,0,0,0,0|1,0,0]=3 381 B8R0.7 NCCCCCC(=O)[O-] MCULE-7336458907 [2,0,0,0,0,0|1,0,1]=4 382 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [2,0,0,0,0,0|2,0,0]=4 383 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [2,0,0,0,0,0|2,0,0]=4 384 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [2,0,0,0,0,0|2,0,0]=4 385 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [2,0,0,0,0,0|2,0,0]=4 386 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [2,0,0,0,0,0|2,0,0]=4 387 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [2,0,0,0,0,0|2,0,0]=4 388 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [2,0,0,0,0,0|2,0,0]=4 389 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [2,0,0,0,0,0|2,0,0]=4 390 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [2,0,0,0,0,0|2,0,0]=4 391 B8R0.7 O=C(Cl)CCCCCBr MCULE-4314610726 [2,0,0,0,0,0|2,0,0]=4 392 B8R0.7 O=C(Cl)CCCCCCl MCULE-4526081631 [2,0,0,0,0,0|2,0,0]=4 393 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [2,0,0,0,0,0|1,0,0]=3 394 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [2,0,0,0,0,0|1,0,0]=3 395 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [2,0,0,0,0,0|1,0,0]=3 396 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [2,0,0,0,0,0|0,0,0]=2 397 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [2,0,0,0,0,0|0,1,0]=3 398 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [2,0,0,0,0,0|1,0,0]=3 399 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [2,0,0,0,0,0|2,0,0]=4 400 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [2,0,0,0,0,0|1,0,0]=3 401 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [2,0,0,0,0,0|1,1,0]=4 402 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [2,0,0,0,0,0|1,0,0]=3 403 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [2,0,0,0,0,0|2,0,0]=4 404 B8R0.7 O=C([O-])CCCCCCl MCULE-7341419838 [2,0,0,0,0,0|1,0,1]=4 405 B8R0.7 O=C([O-])CCCCCO MCULE-5897469112 [2,0,0,0,0,0|0,0,1]=3 406 B8R0.7 O=C([O-])CCCCCO MCULE-9397608140 [2,0,0,0,0,0|0,0,1]=3 407 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [2,0,0,0,0,0|0,0,0]=2 408 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [2,0,0,0,0,0|1,0,0]=3 409 B8R0.7 O=N(=O)CCCCCO MCULE-8742649710 [2,0,0,0,0,0|1,0,1]=4 410 B10R0.3 CCCC(C)CCCC(=O)O MCULE-9813732292 [1,1,0,0,0,0|1,0,1]=4 411 B10R0.3 CCCC(O)CCCC(=O)O MCULE-6567242953 [1,1,0,0,0,0|1,0,1]=4 412 B10R0.4 C#CCCCCCCC(=O)O MCULE-9844370313 [1,1,0,0,0,0|1,0,1]=4 413 B10R0.4 C=CCCCCCCC(=O)C MCULE-3952725967 [1,1,0,0,0,0|2,0,0]=4 414 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [1,1,0,0,0,0|1,0,0]=3 415 B10R0.4 C=CCCCCCOC(=O)C MCULE-7198359038 [1,1,0,0,0,0|2,0,0]=4 416 B10R0.4 C=CCOCCOCC(=O)O MCULE-8100852333 [1,1,0,0,0,0|2,0,0]=4 417 B10R0.4 CC(=O)CCCCCCCO MCULE-6975960500 [1,1,0,0,0,0|1,0,1]=4 418 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [1,1,0,0,0,0|1,0,1]=4 419 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [1,1,0,0,0,0|1,0,1]=4 420 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [1,1,0,0,0,0|1,0,1]=4 421 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [1,1,0,0,0,0|1,0,1]=4 422 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [1,1,0,0,0,0|1,0,1]=4 423 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [1,1,0,0,0,0|1,0,1]=4 424 B10R0.4 COCCCOCCC(=O)O MCULE-5178930362 [1,1,0,0,0,0|1,0,1]=4 425 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [1,1,0,0,0,0|0,1,1]=4 426 B10R0.4 N#N=NCCCCCC(=O)O MCULE-1473761098 [1,1,0,0,0,0|2,0,0]=4 427 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [1,1,0,0,0,0|1,0,1]=4 428 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [1,1,0,0,0,0|1,0,1]=4 429 B10R0.4 NCCCCCCNC(=O)O MCULE-3865214371 [1,1,0,0,0,0|1,0,1]=4 430 B10R0.4 NCCCNCCCC(=O)O MCULE-2780784491 [1,1,0,0,0,0|1,0,1]=4 431 B10R0.4 NCCCNCCCC(=O)O MCULE-8488597292 [1,1,0,0,0,0|1,0,1]=4 432 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [1,1,0,0,0,0|1,0,1]=4 433 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [1,1,0,0,0,0|0,0,1]=3 434 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [1,1,0,0,0,0|0,1,1]=4 435 B10R0.4 O=C(O)COCCOCCO MCULE-1507756107 [1,1,0,0,0,0|1,0,1]=4 436 B10R0.4 O=CCCCCCCC(=O)O MCULE-3146118588 [1,1,0,0,0,0|0,0,0]=2 437 B10R0.4 O=CNCCCCCC(=O)O MCULE-1392572274 [1,1,0,0,0,0|0,0,0]=2 438 B10R0.6 CCCCCC(C)CC(=O)O MCULE-2066533125 [1,1,0,0,0,0|1,0,1]=4 439 B10R0.6 CCCCCC(N)CC(=O)O MCULE-1332766356 [1,1,0,0,0,0|1,0,1]=4 440 B10R0.6 CCCCCC(N)CC(=O)O MCULE-6217126659 [1,1,0,0,0,0|1,0,1]=4 441 B10R0.6 CCCCCC(O)CC(=O)O MCULE-4825961688 [1,1,0,0,0,0|1,0,1]=4 442 B10R0.6 CCCCC[C@@H](O)CC(=O)O MCULE-2570880673 [1,1,0,0,0,0|1,0,1]=4 443 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-3222730819 [1,1,0,0,0,0|1,0,1]=4 444 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-6407518730 [1,1,0,0,0,0|1,0,1]=4 445 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-4895569973 [1,1,0,0,0,0|1,0,1]=4 446 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-7821167225 [1,1,0,0,0,0|1,0,1]=4 447 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-8763571530 [1,1,0,0,0,0|1,0,1]=4 448 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-9870503005 [1,1,0,0,0,0|1,0,1]=4 449 B10R0.55 CCC(C)CCCCC(=O)O MCULE-5735580085 [1,1,0,0,0,0|1,0,1]=4 450 B10R0.74 C#CCCCCCC(=O)OC MCULE-3816855542 [1,1,0,0,0,0|1,0,1]=4 451 B10R0.74 CCCCCCCC(=O)NO MCULE-2604662374 [1,1,0,0,0,0|1,0,1]=4 452 B10R0.74 CCCCCCCC(=O)OC MCULE-9368782203 [1,1,0,0,0,0|1,0,1]=4 453 B10R0.74 COC(=O)CCCCCC=O MCULE-1071696685 [1,1,0,0,0,0|0,0,0]=2 454 B10R0.74 COC(=O)CCCCCCBr MCULE-5801566678 [1,1,0,0,0,0|1,0,1]=4 455 B10R0.74 COC(=O)CCCCCCI MCULE-5629338002 [1,1,0,0,0,0|1,0,1]=4 456 B10R0.74 COC(=O)CCCCCCN MCULE-3174162228 [1,1,0,0,0,0|1,0,1]=4 457 B10R0.74 COC(=O)CCCCCCN MCULE-7552954472 [1,1,0,0,0,0|1,0,1]=4 458 B10R0.74 COC(=O)CCCCCCO MCULE-1234987175 [1,1,0,0,0,0|0,0,1]=3 459 B10R0.74 COC(=O)CCNCCCO MCULE-4138256366 [1,1,0,0,0,0|1,0,1]=4 460 B10R0.74 COC(=O)CCOCCCO MCULE-5017264772 [1,1,0,0,0,0|1,0,1]=4 461 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [1,1,0,0,0,0|1,0,0]=3 462 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [1,1,0,0,0,0|1,0,0]=3 463 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [1,1,0,0,0,0|1,0,0]=3 464 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [1,1,0,0,0,0|1,0,0]=3 465 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [1,1,0,0,0,0|1,0,0]=3 466 B10R0.75 CCCCCCC(Br)C(=O)O MCULE-3532642872 [1,1,0,0,0,0|1,0,1]=4 467 B10R0.75 CCCCCCC(C)C(=O)O MCULE-6664640382 [1,1,0,0,0,0|1,0,1]=4 468 B10R0.75 CCCCCCC(F)C(=O)O MCULE-3865739259 [1,1,0,0,0,0|1,0,1]=4 469 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [1,1,0,0,0,0|1,0,1]=4 470 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [1,1,0,0,0,0|1,0,1]=4 471 B10R0.75 CCCCCCC(O)C(=O)O MCULE-1679305682 [1,1,0,0,0,0|1,0,1]=4 472 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [1,1,0,0,0,0|1,0,1]=4 473 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [1,1,0,0,0,0|1,0,1]=4 474 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [1,1,0,0,0,0|1,0,1]=4 475 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [1,1,0,0,0,0|1,0,1]=4 476 B10R0.75 CNCCCCC(N)C(=O)O MCULE-5703952072 [1,1,0,0,0,0|2,0,0]=4 477 B10R0.75 CNCCCCC(N)C(=O)O MCULE-8267439974 [1,1,0,0,0,0|2,0,0]=4 478 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-4130643324 [1,1,0,0,0,0|2,0,0]=4 479 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-5394599260 [1,1,0,0,0,0|2,0,0]=4 480 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6328038825 [1,1,0,0,0,0|2,0,0]=4 481 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6736060504 [1,1,0,0,0,0|2,0,0]=4 482 B10R0.75 NC(CCNCC=O)C(=O)O MCULE-6659524915 [1,1,0,0,0,0|1,0,0]=3 483 B10R0.75 NC(CSCCCO)C(=O)O MCULE-6250464318 [1,1,0,0,0,0|1,0,1]=4 484 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [1,1,0,0,0,0|1,0,1]=4 485 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [1,1,0,0,0,0|1,0,1]=4 486 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [1,1,0,0,0,0|1,0,1]=4 487 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [1,1,0,0,0,0|1,0,1]=4 488 B10R0.75 N[C@@H](CCSCCO)C(=O)O MCULE-2974080305 [1,1,0,0,0,0|1,0,1]=4 489 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-1323141415 [1,1,0,0,0,0|1,0,1]=4 490 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-8256841743 [1,1,0,0,0,0|1,0,1]=4 491 B10R0.78 CCCCC(C)CCC(=O)O MCULE-2454273176 [1,1,0,0,0,0|1,0,1]=4 492 B10R0.78 CCCCC(N)CCC(=O)O MCULE-2622598542 [1,1,0,0,0,0|1,0,1]=4 493 B10R0.78 CCCCC(N)CCC(=O)O MCULE-5683869807 [1,1,0,0,0,0|1,0,1]=4 494 B10R0.78 CCCCC(O)CCC(=O)O MCULE-6806538778 [1,1,0,0,0,0|1,0,1]=4 495 B10R0.78 CCCC[C@H](C)CCC(=O)O MCULE-4790339661 [1,1,0,0,0,0|1,0,1]=4 496 B10R0.78 O=CCCC(=O)CCC(=O)O MCULE-4413858827 [1,1,0,0,0,0|0,0,1]=3 497 B10R0.15 O=C(O)CCCCP(=O)(O)O MCULE-9230270330 [0,1,0,0,1,0|1,0,0]=3 498 B10R0.96 CC(=O)CC(=O)CCC(=O)O MCULE-6445854186 [0,1,0,0,1,0|1,0,1]=4 499 B10R0.96 CC(CCC(=O)O)CC(=O)O MCULE-7386549049 [0,1,0,0,1,0|0,0,0]=2 500 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-1721699813 [0,1,0,0,1,0|0,0,0]=2 501 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-7525360323 [0,1,0,0,1,0|0,0,0]=2 502 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-3003314518 [0,1,0,0,1,0|1,0,0]=3 503 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-7683510788 [0,1,0,0,1,0|1,0,0]=3 504 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8316748928 [0,1,0,0,1,0|1,0,0]=3 505 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8667775229 [0,1,0,0,1,0|1,0,0]=3 506 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-2836546299 [0,1,0,0,1,0|1,0,0]=3 507 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4298371176 [0,1,0,0,1,0|1,0,0]=3 508 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4441176096 [0,1,0,0,1,0|1,0,0]=3 509 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-5599562900 [0,1,0,0,1,0|1,0,0]=3 510 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8155260586 [0,1,0,0,1,0|0,0,0]=2 511 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8574900055 [0,1,0,0,1,0|0,0,0]=2 512 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-5068946859 [0,1,0,0,1,0|0,0,0]=2 513 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8151605170 [0,1,0,0,1,0|0,0,0]=2 514 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8505675120 [0,1,0,0,1,0|0,0,0]=2 515 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-9871725008 [0,1,0,0,1,0|0,0,0]=2 516 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-3923729315 [0,1,0,0,1,0|0,0,0]=2 517 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-6851763365 [0,1,0,0,1,0|0,0,0]=2 518 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,1,0,0,1,0|1,0,0]=3 519 B10R0.98 CC(=O)N(C)CCCC(=O)O MCULE-1764265267 [0,1,0,0,1,0|2,0,0]=4 520 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,1,0,0,1,0|2,0,0]=4 521 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,1,0,0,1,0|2,0,0]=4 522 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,1,0,0,1,0|2,0,0]=4 523 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,1,0,0,1,0|2,0,0]=4 524 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,1,0,0,1,0|2,0,0]=4 525 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,1,0,0,1,0|2,0,0]=4 526 B10R0.98 CC(CCCC(=O)Cl)C(=O)Cl MCULE-7532082954 [0,1,0,0,1,0|2,0,0]=4 527 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,1,0,0,1,0|0,0,0]=2 528 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,1,0,0,1,0|0,0,0]=2 529 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,1,0,0,1,0|0,0,0]=2 530 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,1,0,0,1,0|1,0,0]=3 531 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,1,0,0,1,0|0,0,0]=2 532 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,1,0,0,1,0|0,0,0]=2 533 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,1,0,0,1,0|1,0,0]=3 534 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,1,0,0,1,0|1,0,0]=3 535 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,1,0,0,1,0|0,0,0]=2 536 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,1,0,0,1,0|0,0,0]=2 537 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,1,0,0,1,0|0,0,1]=3 538 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,1,0,0,1,0|0,0,0]=2 539 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,1,0,0,1,0|0,0,0]=2 540 B10R0.98 O=C([O-])CCCC(O)C(=O)[O-] MCULE-7990606586 [0,1,0,0,1,0|0,0,2]=4 541 B12R0.42 C/C(=N/CCCC[C@H](N)C(=O)O)/N MCULE-7878147954 [0,1,0,0,0,1|2,0,0]=4 542 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-2748186789 [0,1,0,0,0,1|2,0,0]=4 543 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-6164256302 [0,1,0,0,0,1|2,0,0]=4 544 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-2218386265 [0,1,0,0,0,1|2,0,0]=4 545 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-5581195825 [0,1,0,0,0,1|2,0,0]=4 546 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-8004298113 [0,1,0,0,0,1|2,0,0]=4 547 B12R0.42 CC(=O)C(C)CCCCCC(=O)O MCULE-9391199319 [0,1,0,0,0,1|1,0,0]=3 548 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-8560922815 [0,1,0,0,0,1|1,0,0]=3 549 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-9405826819 [0,1,0,0,0,1|1,0,0]=3 550 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-4363164306 [0,1,0,0,0,1|1,0,0]=3 551 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-7418953050 [0,1,0,0,0,1|1,0,0]=3 552 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O MCULE-2826730309 [0,1,0,0,0,1|1,0,0]=3 553 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2500699001 [0,1,0,0,0,1|1,0,0]=3 554 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2747158053 [0,1,0,0,0,1|1,0,0]=3 555 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8086021811 [0,1,0,0,0,1|1,0,0]=3 556 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-9503615061 [0,1,0,0,0,1|1,0,0]=3 557 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-1114934644 [0,1,0,0,0,1|2,0,0]=4 558 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-4078920174 [0,1,0,0,0,1|2,0,0]=4 559 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-1049518743 [0,1,0,0,0,1|2,0,0]=4 560 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4108646118 [0,1,0,0,0,1|2,0,0]=4 561 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4835018951 [0,1,0,0,0,1|2,0,0]=4 562 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-5471188514 [0,1,0,0,0,1|2,0,0]=4 563 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-1726271138 [0,1,0,0,0,1|2,0,0]=4 564 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-2352708400 [0,1,0,0,0,1|2,0,0]=4 565 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-6794898094 [0,1,0,0,0,1|2,0,0]=4 566 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-7371205614 [0,1,0,0,0,1|2,0,0]=4 567 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-5422005056 [0,1,0,0,0,1|1,0,0]=3 568 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-6598703304 [0,1,0,0,0,1|1,0,0]=3 569 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-6382139330 [0,1,0,0,0,1|1,0,0]=3 570 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-7025106309 [0,1,0,0,0,1|1,0,0]=3 571 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7636320216 [0,1,0,0,0,1|1,0,0]=3 572 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7719006708 [0,1,0,0,0,1|1,0,0]=3 573 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MCULE-7949829956 [0,1,0,0,0,1|0,0,0]=2 574 B12R0.42 NC(CSCCCC(=O)O)C(=O)O MCULE-6552348472 [0,1,0,0,0,1|0,0,0]=2 575 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-2069821066 [0,1,0,0,0,1|0,0,0]=2 576 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-3495032122 [0,1,0,0,0,1|0,0,0]=2 577 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-1221416102 [0,1,0,0,0,1|0,0,0]=2 578 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-2038684739 [0,1,0,0,0,1|0,0,0]=2 579 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-2692259414 [0,1,0,0,0,1|0,0,0]=2 580 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-6806526657 [0,1,0,0,0,1|0,0,0]=2 581 B12R0.42 O=C(O)CCCCCC(=O)C(=O)O MCULE-9194508818 [0,1,0,0,0,1|0,0,0]=2 582 B12R0.42 [C@@H](N)(CCCCNC(=O)C)C(=O)O MCULE-9387648281 [0,1,0,0,0,1|1,0,0]=3 583 B12R0.44 O=C(O)CCNC(=O)CCC(=O)O MCULE-3427480404 [0,1,0,0,0,1|0,0,1]=3 584 B12R0.137 CS(=O)(=O)SCCCCCC(=O)O MCULE-3349898183 [0,1,0,0,0,1|1,0,1]=4 585 B12R0.137 NS(=O)(=O)CCCCCCC(=O)O MCULE-5652448966 [0,1,0,0,0,1|1,0,1]=4 586 B12R0.184 C=CC(=O)NCCCCCC(=O)O MCULE-9666008928 [0,1,0,0,0,1|1,0,0]=3 587 B12R0.184 C=CC(O)CCCCCCC(=O)O MCULE-2198484452 [0,1,0,0,0,1|1,0,1]=4 588 B12R0.184 CC(=O)NCCCCCC(=O)NN MCULE-6626582915 [0,1,0,0,0,1|2,0,0]=4 589 B12R0.184 CCC(=O)CCCCCCC(=O)O MCULE-4717498477 [0,1,0,0,0,1|1,0,0]=3 590 B12R0.184 COC(=O)CCCCCCC(=O)Cl MCULE-8021290059 [0,1,0,0,0,1|1,0,0]=3 591 B12R0.184 COC(=O)CCCCCCC(=O)O MCULE-9793115364 [0,1,0,0,0,1|0,0,0]=2 592 B12R0.184 COC(=O)CCCCCNC(=S)N MCULE-7713909467 [0,1,0,0,0,1|1,1,0]=4 593 B12R0.184 COC(=O)CCCCCOC(=O)C MCULE-6683368772 [0,1,0,0,0,1|1,0,0]=3 594 B12R0.184 O=C(O)CCCCCCC(=O)NO MCULE-8631395600 [0,1,0,0,0,1|0,0,0]=2 595 B12R0.184 O=C(O)CCCCCNC(=O)CCl MCULE-7503199226 [0,1,0,0,0,1|1,0,0]=3 596 B12R0.270 CC(=O)NCCC[C@@H](N)CC(=O)O MCULE-4886618146 [0,1,0,0,0,1|1,0,0]=3 597 B12R0.270 N=C(N)NCCC[C@@H](N)CC(=O)O MCULE-3804537269 [0,1,0,0,0,1|2,0,0]=4 598 B12R0.258 NC(CC(=O)O)C(=O)NCC(=O)O MCULE-3453286522 [0,2,0,0,0,0|1,0,1]=4 599 B12R0.258 N[C@@H](CC(=O)O)C(=O)NCC(=O)O MCULE-8017213724 [0,2,0,0,0,0|1,0,1]=4 600 B12R0.697 CC(=O)OCCC(C)(O)CC(=O)O MCULE-9712827375 [0,2,0,0,0,0|2,0,0]=4 601 B12R0.86 COC(=O)C(N)CCCNC(=O)N MCULE-3252838346 [0,2,0,0,0,0|2,0,0]=4 602 B12R0.86 COC(=O)[C@@H](N)CCCNC(=O)N MCULE-5249311648 [0,2,0,0,0,0|2,0,0]=4 603 B12R0.86 COC(=O)[C@@H](N)CCCNC(=O)N MCULE-6644204781 [0,2,0,0,0,0|2,0,0]=4 604 B12R0.139 CC(NC(=O)CCC(=O)O)C(=O)O MCULE-3728027711 [0,2,0,0,0,0|1,0,1]=4 605 B12R0.139 NC(CC(=O)NCC(=O)O)C(=O)O MCULE-3722590501 [0,2,0,0,0,0|1,0,1]=4 606 B12R0.139 N[C@@H](CC(=O)NCC(=O)O)C(=O)O MCULE-5859277015 [0,2,0,0,0,0|1,0,1]=4 607 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1051612567 [0,2,0,0,0,0|2,0,0]=4 608 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1231852000 [0,2,0,0,0,0|2,0,0]=4 609 B12R0.238 CCC(NCCCC(=O)O)C(=O)O MCULE-4648933282 [0,2,0,0,0,0|1,0,0]=3 610 B12R0.238 CCC(NCCCC(=O)O)C(=O)O MCULE-8765195520 [0,2,0,0,0,0|1,0,0]=3 611 B12R0.238 NC(=O)C(=NO)CCCCC(=O)O MCULE-8502884613 [0,2,0,0,0,0|1,0,1]=4 612 B12R0.264 NC(CCCCP(=O)(O)O)C(=O)O MCULE-4265556920 [0,2,0,0,0,0|1,0,0]=3 613 B12R0.264 [C@H](N)(CCCCP(=O)(O)O)C(=O)O MCULE-3135079588 [0,2,0,0,0,0|1,0,0]=3 614 B12R0.627 CC(CSCC(N)C(=O)O)C(=O)O MCULE-8019160796 [0,2,0,0,0,0|1,0,0]=3 615 B12R0.627 CC(CSC[C@H](N)C(=O)O)C(=O)O MCULE-1141812385 [0,2,0,0,0,0|1,0,0]=3 616 B12R0.627 CC(CSC[C@H](N)C(=O)O)C(=O)O MCULE-8490230025 [0,2,0,0,0,0|1,0,0]=3 617 B12R0.627 CC(SCSC(C)C(=O)O)C(=O)O MCULE-2283321003 [0,2,0,0,0,0|2,0,0]=4 618 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O MCULE-5199298661 [0,2,0,0,0,0|0,0,0]=2 619 B12R0.627 NC(CSCC(N)C(=O)O)C(=O)O MCULE-7420458378 [0,2,0,0,0,0|1,0,0]=3 620 B12R0.627 N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O MCULE-5816483960 [0,2,0,0,0,0|0,0,0]=2 621 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-1778670578 [0,2,0,0,0,0|0,0,0]=2 622 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-9178941791 [0,2,0,0,0,0|0,0,0]=2 623 B12R0.627 N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O MCULE-1932719723 [0,2,0,0,0,0|1,0,0]=3 624 B12R0.627 N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O MCULE-3341203729 [0,2,0,0,0,0|1,0,0]=3 625 B12R0.627 N[C@@H](C[Se]C[C@H](N)C(=O)O)C(=O)O MCULE-1101588173 [0,2,0,0,0,0|1,0,0]=3 626 B12R0.627 O=C(O)C(O)SCSC(O)C(=O)O MCULE-9583670044 [0,2,0,0,0,0|2,0,0]=4 627 B12R0.692 O=C(O)CCCCC(F)(F)C(=O)O MCULE-1731217275 [0,2,0,0,0,0|0,0,0]=2 628 B12R0.150 COC(=O)CCCCCS(=O)(=O)Cl MCULE-1504606123 [0,2,0,0,0,0|1,0,1]=4 629 B12R0.210 C=CS(=O)(=O)CCCCCC(=O)O MCULE-5376859747 [0,2,0,0,0,0|1,0,1]=4 630 B12R0.210 CCS(=O)(=O)CCCCCC(=O)O MCULE-9652550148 [0,2,0,0,0,0|1,0,1]=4 631 B12R0.638 O=P(O)(O)CCCCCP(=O)(O)O MCULE-2111971109 [0,2,0,0,0,0|2,0,0]=4 632 B12R0.189 COC(=O)CNC(=O)CCC(=O)O MCULE-2893632890 [0,2,0,0,0,0|1,0,1]=4 633 B12R0.388 CC(C)(SCC(=O)O)SCC(=O)O MCULE-2239940088 [0,2,0,0,0,0|2,0,0]=4 634 B12R0.388 O=C(O)CCP(=O)(O)CCC(=O)O MCULE-5797332263 [0,2,0,0,0,0|1,0,0]=3 635 B12R0.388 O=C(O)CCS(=O)(=O)CCC(=O)O MCULE-1391414537 [0,2,0,0,0,0|1,0,0]=3 636 B12R0.183 COC(=N)CCCCCC(=N)OC MCULE-5911881121 [0,2,0,0,0,0|2,0,0]=4 637 B12R0.183 COC(=N)CCCCCC(=N)OC MCULE-8619047991 [0,2,0,0,0,0|2,0,0]=4 638 B12R0.183 COC(=O)CCCCCC(=O)OC MCULE-4367657579 [0,2,0,0,0,0|0,0,0]=2 639 B12R0.183 COC(=O)CCNCCC(=O)OC MCULE-8864984762 [0,2,0,0,0,0|1,0,0]=3 640 B12R0.183 COC(=O)CCNCCC(=O)OC MCULE-9314655557 [0,2,0,0,0,0|1,0,0]=3 641 B12R0.183 COC(=O)CCSCCC(=O)OC MCULE-8773115535 [0,2,0,0,0,0|1,0,0]=3 642 B12R0.183 COC(=O)NCCCNC(=O)OC MCULE-4734303469 [0,2,0,0,0,0|2,0,0]=4 643 B12R0.183 NNC(=O)CCCCCC(=O)NN MCULE-1879872174 [0,2,0,0,0,0|2,0,0]=4 644 B12R0.277 C=C(Br)CCCCCC(=O)OCC MCULE-3459873573 [0,2,0,0,0,0|2,0,0]=4 645 B12R0.277 C=C(C)CCCCCC(=O)OCC MCULE-8886396978 [0,2,0,0,0,0|2,0,0]=4 646 B12R0.277 C=C(Cl)CCCCCC(=O)OCC MCULE-4890209608 [0,2,0,0,0,0|2,0,0]=4 647 B12R0.277 CCCC(=O)CCCCCC(=O)O MCULE-2592304646 [0,2,0,0,0,0|1,0,0]=3 648 B12R0.277 CCOC(=O)CCCCCC(=O)C MCULE-9869285908 [0,2,0,0,0,0|1,0,0]=3 649 B12R0.277 CCOC(=O)CCCCCC(=O)Cl MCULE-5720452434 [0,2,0,0,0,0|1,0,0]=3 650 B12R0.277 CCOC(=O)CCCCCC(=O)O MCULE-3615439341 [0,2,0,0,0,0|0,0,0]=2 651 B12R0.277 CCOC(=O)CCCCCN(=O)=O MCULE-5719285068 [0,2,0,0,0,0|1,0,1]=4 652 B12R0.277 CCOC(=O)CCCCSC(=O)C MCULE-6440149181 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.10 CCCC1CCCC(=O)O1 MCULE-9181432444 [1,0,0,1,0,0|1,0,1]=4 654 B10R1.10 O=C1CCCC(O1)CCBr MCULE-4728327671 [1,0,0,1,0,0|1,0,1]=4 655 B10R1.16 C=CCCC1CCC(=O)C1 MCULE-9803992044 [1,0,0,1,0,0|2,0,0]=4 656 B10R1.16 CCCCC1CCC(=O)O1 MCULE-2172174471 [1,0,0,1,0,0|1,0,1]=4 657 B10R1.18 CC(=O)CC1CCCCO1 MCULE-1058487646 [1,0,0,1,0,0|1,0,1]=4 658 B10R1.18 O=C(O)CC1C=CCCC1 MCULE-3207533436 [1,0,0,1,0,0|1,0,0]=3 659 B10R1.18 O=C(O)CC1CC=CCC1 MCULE-3427584067 [1,0,0,1,0,0|1,0,1]=4 660 B10R1.18 O=C(O)CC1CCCCC1 MCULE-3370925166 [1,0,0,1,0,0|1,0,1]=4 661 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7593127940 [1,0,0,1,0,0|1,0,1]=4 662 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7653711252 [1,0,0,1,0,0|1,0,1]=4 663 B10R1.18 O=C(O)CC1CCCCO1 MCULE-2711682647 [1,0,0,1,0,0|0,0,1]=3 664 B10R1.18 O=C(O)CC1CCCNC1 MCULE-3254470591 [1,0,0,1,0,0|2,0,0]=4 665 B10R1.18 O=C(O)CC1CCCNC1 MCULE-7958803985 [1,0,0,1,0,0|2,0,0]=4 666 B10R1.18 O=C(O)CC1CCCOC1 MCULE-5877605158 [1,0,0,1,0,0|2,0,0]=4 667 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3058504133 [1,0,0,1,0,0|1,0,1]=4 668 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3387061328 [1,0,0,1,0,0|1,0,1]=4 669 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4327756750 [1,0,0,1,0,0|1,0,1]=4 670 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4883251317 [1,0,0,1,0,0|1,0,1]=4 671 B10R1.18 O=C(O)CC1COCCO1 MCULE-8632741098 [1,0,0,1,0,0|1,0,1]=4 672 B10R1.18 O=C(O)CC1OCCCO1 MCULE-1471723881 [1,0,0,1,0,0|1,0,1]=4 673 B10R1.18 O=C(O)C[C@@H]1CC=CCC1 MCULE-6316447839 [1,0,0,1,0,0|1,0,1]=4 674 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-3905830299 [1,0,0,1,0,0|1,0,1]=4 675 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-5277218457 [1,0,0,1,0,0|1,0,1]=4 676 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-7510387772 [1,0,0,1,0,0|1,0,1]=4 677 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-5325818659 [1,0,0,1,0,0|2,0,0]=4 678 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-7001078313 [1,0,0,1,0,0|2,0,0]=4 679 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-8120215253 [1,0,0,1,0,0|2,0,0]=4 680 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-9602652995 [1,0,0,1,0,0|2,0,0]=4 681 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4498530905 [1,0,0,1,0,0|1,0,1]=4 682 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4549445854 [1,0,0,1,0,0|1,0,1]=4 683 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-5055136882 [1,0,0,1,0,0|1,0,1]=4 684 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-7244079860 [1,0,0,1,0,0|1,0,1]=4 685 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-3680996115 [1,0,0,1,0,0|1,0,1]=4 686 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-4674662417 [1,0,0,1,0,0|1,0,1]=4 687 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-1302740697 [1,0,0,1,0,0|2,0,0]=4 688 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-2509529219 [1,0,0,1,0,0|2,0,0]=4 689 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-3753473259 [1,0,0,1,0,0|2,0,0]=4 690 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-9619904988 [1,0,0,1,0,0|2,0,0]=4 691 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-1832902178 [1,0,0,1,0,0|1,0,1]=4 692 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5015018730 [1,0,0,1,0,0|1,0,1]=4 693 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5838446318 [1,0,0,1,0,0|1,0,1]=4 694 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-9119322865 [1,0,0,1,0,0|1,0,1]=4 695 B10R1.39 CC(=O)N1CCCC1C=O MCULE-5344603366 [1,0,0,1,0,0|2,0,0]=4 696 B10R1.39 CC(=O)N1CCC[C@H]1C=O MCULE-2305579763 [1,0,0,1,0,0|2,0,0]=4 697 B10R1.39 CCC1CCCC1C(=O)O MCULE-2134315765 [1,0,0,1,0,0|1,0,1]=4 698 B10R1.39 COC1CCCC1C(=O)O MCULE-6165424004 [1,0,0,1,0,0|2,0,0]=4 699 B10R1.39 CSC1CCCC1C(=O)O MCULE-7830513386 [1,0,0,1,0,0|2,0,0]=4 700 B10R1.39 NCC1CCCC1C(=O)O MCULE-5775773821 [1,0,0,1,0,0|1,0,1]=4 701 B10R1.39 NCC1CCCC1C(=O)O MCULE-6872336527 [1,0,0,1,0,0|1,0,1]=4 702 B10R1.39 O=C(O)C1CNCC1CO MCULE-4689035983 [1,0,0,1,0,0|1,0,1]=4 703 B10R1.39 O=CC1=CCCC1C(=O)O MCULE-5161313850 [1,0,0,1,0,0|0,0,2]=4 704 B10R1.39 O=CN1CCC[C@H]1C(=O)O MCULE-4414225416 [1,0,0,1,0,0|1,0,0]=3 705 B10R1.39 O=CN1CCC[C@H]1C(=O)O MCULE-8771289289 [1,0,0,1,0,0|1,0,0]=3 706 B10R1.39 O=NN1CCCC1C(=O)O MCULE-4315718435 [1,0,0,1,0,0|2,0,0]=4 707 B10R1.61 CC(=O)C1CCCCC1=O MCULE-4487262627 [1,0,0,1,0,0|1,0,0]=3 708 B10R1.61 CC(=O)N1CCCCC1=O MCULE-2016057739 [1,0,0,1,0,0|2,0,0]=4 709 B10R1.61 CC1=C(CCCC1)C(=O)O MCULE-2899177590 [1,0,0,1,0,0|1,0,1]=4 710 B10R1.61 CC1CCCCC1C(=O)O MCULE-3305682191 [1,0,0,1,0,0|1,0,1]=4 711 B10R1.61 CN1CCCCC1C(=O)O MCULE-3456275150 [1,0,0,1,0,0|2,0,0]=4 712 B10R1.61 CN1CCCCC1C(=O)O MCULE-6372652181 [1,0,0,1,0,0|2,0,0]=4 713 B10R1.61 CN1CCCCC1C(=O)O MCULE-7834522939 [1,0,0,1,0,0|2,0,0]=4 714 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-2245294368 [1,0,0,1,0,0|2,0,0]=4 715 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-2258119449 [1,0,0,1,0,0|2,0,0]=4 716 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-4757725445 [1,0,0,1,0,0|2,0,0]=4 717 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-9648696079 [1,0,0,1,0,0|2,0,0]=4 718 B10R1.61 CN1CCCC[C@H]1C(=O)O MCULE-5396822712 [1,0,0,1,0,0|2,0,0]=4 719 B10R1.61 CN1CCCC[C@H]1C(=O)O MCULE-5529863786 [1,0,0,1,0,0|2,0,0]=4 720 B10R1.61 NC(=O)C1CCCCC1=O MCULE-4980594289 [1,0,0,1,0,0|1,0,0]=3 721 B10R1.61 NC(=O)C1CCCNC1=O MCULE-9308439620 [1,0,0,1,0,0|2,0,0]=4 722 B10R1.61 NC(=O)C1CNCCC1=O MCULE-5445807694 [1,0,0,1,0,0|2,0,0]=4 723 B10R1.61 NC1=C(CCCC1)C(=O)O MCULE-4360190675 [1,0,0,1,0,0|1,0,1]=4 724 B10R1.61 NC1CCCCC1C(=O)O MCULE-4736252154 [1,0,0,1,0,0|1,0,1]=4 725 B10R1.61 NC1CCCCC1C(=O)O MCULE-6203238767 [1,0,0,1,0,0|1,0,1]=4 726 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1790728170 [1,0,0,1,0,0|1,0,1]=4 727 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-3150171920 [1,0,0,1,0,0|1,0,1]=4 728 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-4600025587 [1,0,0,1,0,0|1,0,1]=4 729 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-9708582870 [1,0,0,1,0,0|1,0,1]=4 730 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-3088249896 [1,0,0,1,0,0|1,0,1]=4 731 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-4663931442 [1,0,0,1,0,0|1,0,1]=4 732 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-6017464144 [1,0,0,1,0,0|1,0,1]=4 733 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-9507759371 [1,0,0,1,0,0|1,0,1]=4 734 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-2040720562 [1,0,0,1,0,0|1,0,1]=4 735 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-5411687824 [1,0,0,1,0,0|1,0,1]=4 736 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-6353451287 [1,0,0,1,0,0|1,0,1]=4 737 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-9744443114 [1,0,0,1,0,0|1,0,1]=4 738 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-1070315128 [1,0,0,1,0,0|1,0,1]=4 739 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-2665445473 [1,0,0,1,0,0|1,0,1]=4 740 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-5776301031 [1,0,0,1,0,0|1,0,1]=4 741 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-7183400727 [1,0,0,1,0,0|1,0,1]=4 742 B10R1.61 O=C(O)C1=C(CCCC1)Br MCULE-4432967237 [1,0,0,1,0,0|1,0,1]=4 743 B10R1.61 O=C(O)C1=C(CCCC1)Cl MCULE-4191246644 [1,0,0,1,0,0|1,0,1]=4 744 B10R1.61 O=C(O)C1CCCCC1=O MCULE-1684765148 [1,0,0,1,0,0|0,0,0]=2 745 B10R1.61 O=C(O)C1CCCCC1F MCULE-9495362772 [1,0,0,1,0,0|1,0,1]=4 746 B10R1.61 O=C(O)C1CCCCC1O MCULE-4502285714 [1,0,0,1,0,0|0,0,1]=3 747 B10R1.61 O=C(O)C1CCCCN1O MCULE-1338694603 [1,0,0,1,0,0|1,0,0]=3 748 B10R1.61 O=C(O)C1CCCNC1=O MCULE-5733950200 [1,0,0,1,0,0|1,0,0]=3 749 B10R1.61 O=C(O)C1CNCCC1=O MCULE-3624462455 [1,0,0,1,0,0|1,0,0]=3 750 B10R1.61 O=C(O)C1NCCCC1O MCULE-2981139992 [1,0,0,1,0,0|1,0,1]=4 751 B10R1.61 O=C(O)C1NCCNC1=O MCULE-5861499693 [1,0,0,1,0,0|2,0,0]=4 752 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O MCULE-2224593354 [1,0,0,1,0,0|1,0,1]=4 753 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O MCULE-3743184576 [1,0,0,1,0,0|1,0,1]=4 754 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-2137327596 [1,0,0,1,0,0|1,0,1]=4 755 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-3028221093 [1,0,0,1,0,0|1,0,1]=4 756 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-3468221525 [1,0,0,1,0,0|1,0,1]=4 757 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-5449397815 [1,0,0,1,0,0|1,0,1]=4 758 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-2786788134 [1,0,0,1,0,0|1,0,1]=4 759 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-3262303247 [1,0,0,1,0,0|1,0,1]=4 760 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-4026886814 [1,0,0,1,0,0|1,0,1]=4 761 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-4165843552 [1,0,0,1,0,0|1,0,1]=4 762 B10R1.61 O=C([O-])C1CCCCC1=O MCULE-2483955816 [1,0,0,1,0,0|0,0,1]=3 763 B10R1.61 O=C([O-])C1CCCCN1O MCULE-1323846734 [1,0,0,1,0,0|1,0,1]=4 764 B10R1.61 O=C1CCCCC1N(=O)=O MCULE-3142791707 [1,0,0,1,0,0|1,0,1]=4 765 B10R1.64 CC1CCCC1CC(=O)O MCULE-1034129697 [1,0,0,1,0,0|1,0,1]=4 766 B10R1.64 CN1CCCC1CC(=O)O MCULE-1900515698 [1,0,0,1,0,0|2,0,0]=4 767 B10R1.64 CN1CCCC1CC(=O)O MCULE-4392051296 [1,0,0,1,0,0|2,0,0]=4 768 B10R1.64 CN1CCC[C@H]1CC(=O)O MCULE-2926738632 [1,0,0,1,0,0|2,0,0]=4 769 B10R1.64 NC(=O)CN1CCCC1=O MCULE-7645397226 [1,0,0,1,0,0|2,0,0]=4 770 B10R1.64 NC(=O)NC1CCCC1=O MCULE-8760589602 [1,0,0,1,0,0|2,0,0]=4 771 B10R1.64 NC1CCCC1CC(=O)O MCULE-7275948763 [1,0,0,1,0,0|1,0,1]=4 772 B10R1.64 NC1CCCC1CC(=O)O MCULE-7852876693 [1,0,0,1,0,0|1,0,1]=4 773 B10R1.64 O=C(Cl)CC1CCCC1=O MCULE-7029776897 [1,0,0,1,0,0|1,0,0]=3 774 B10R1.64 O=C(O)C=C1CCCC1=O MCULE-4459153895 [1,0,0,1,0,0|0,0,2]=4 775 B10R1.64 O=C(O)CC1CCCC1=O MCULE-9371811615 [1,0,0,1,0,0|0,0,0]=2 776 B10R1.64 O=C(O)CC1CCNC1=O MCULE-4096969007 [1,0,0,1,0,0|1,0,0]=3 777 B10R1.64 O=C(O)CN1CCCC1=O MCULE-3122232316 [1,0,0,1,0,0|1,0,0]=3 778 B10R1.64 O=C(O)CN1CCNC1=O MCULE-3675229228 [1,0,0,1,0,0|2,0,0]=4 779 B10R1.64 O=C(O)CN1CCOC1=O MCULE-4152481351 [1,0,0,1,0,0|2,0,0]=4 780 B10R1.64 O=C(O)CN1CCSC1=O MCULE-7099861777 [1,0,0,1,0,0|2,0,0]=4 781 B10R1.64 O=C(O)CN1CSCC1=O MCULE-8731328410 [1,0,0,1,0,0|2,0,0]=4 782 B10R1.66 O=C(O)CCC1CCCC1 MCULE-4583118303 [1,0,0,1,0,0|1,0,1]=4 783 B10R1.66 O=C(O)CCC1CCCN1 MCULE-2613608732 [1,0,0,1,0,0|1,0,1]=4 784 B10R1.66 O=C(O)CCC1CCCN1 MCULE-8814917549 [1,0,0,1,0,0|1,0,1]=4 785 B10R1.66 O=C(O)CCC1CCCO1 MCULE-4111498968 [1,0,0,1,0,0|0,0,1]=3 786 B10R1.66 O=C(O)CCC1CCNC1 MCULE-8082069026 [1,0,0,1,0,0|2,0,0]=4 787 B10R1.66 O=C(O)CCC1CCNC1 MCULE-8359539011 [1,0,0,1,0,0|2,0,0]=4 788 B10R1.66 O=C(O)CCC1CCOC1 MCULE-9339795680 [1,0,0,1,0,0|2,0,0]=4 789 B10R1.66 O=C(O)CCC1OCCO1 MCULE-1077920259 [1,0,0,1,0,0|1,0,1]=4 790 B10R1.66 O=C(O)CCN1CCCO1 MCULE-4658280001 [1,0,0,1,0,0|1,0,1]=4 791 B10R1.66 O=C(O)CCN1CCCO1 MCULE-5549624995 [1,0,0,1,0,0|1,0,1]=4 792 B10R1.66 O=C(O)CC[C@@H]1CCCN1 MCULE-9918992229 [1,0,0,1,0,0|1,0,1]=4 793 B10R1.66 O=C(O)CC[C@@H]1CCCO1 MCULE-8942407071 [1,0,0,1,0,0|0,0,1]=3 794 B10R1.66 O=C(O)CC[C@H]1CCCO1 MCULE-8877470669 [1,0,0,1,0,0|0,0,1]=3 795 B10R1.77 O=C1CCCCCC(=O)C1 MCULE-5507646577 [1,0,0,1,0,0|1,0,0]=3 796 B10R1.77 O=C1CCCCCC(=O)O1 MCULE-4901663442 [1,0,0,1,0,0|0,0,0]=2 797 B10R1.78 O=C1CCCCCCCO1 MCULE-8839309567 [1,0,0,1,0,0|1,0,1]=4 798 B10R1.126 O=C(O)CCCCC1CC1 MCULE-2606424315 [1,0,0,1,0,0|1,0,1]=4 799 B10R1.127 O=C(O)CCCC1CCC1 MCULE-4719788416 [1,0,0,1,0,0|1,0,1]=4 800 B10R1.144 CCCCC1CC1C(=O)O MCULE-5737299312 [1,0,0,1,0,0|1,0,1]=4 801 B10R1.162 O=C1CCCCC(N1)CO MCULE-9454883286 [1,0,0,1,0,0|1,0,1]=4 802 B10R1.348 O=C(O)C1CCCCCC1 MCULE-7903672891 [1,0,0,1,0,0|1,0,1]=4 803 B10R1.348 O=C(O)C1CCCCCN1 MCULE-2741684183 [1,0,0,1,0,0|1,0,1]=4 804 B10R1.348 O=C(O)C1CCCCCN1 MCULE-7374703751 [1,0,0,1,0,0|1,0,1]=4 805 B10R1.348 O=C(O)C1CCCCNC1 MCULE-3392190626 [1,0,0,1,0,0|2,0,0]=4 806 B10R1.348 O=C(O)C1CCCCNC1 MCULE-7795043703 [1,0,0,1,0,0|2,0,0]=4 807 B10R1.348 O=C(O)C1CNCCCO1 MCULE-2282415374 [1,0,0,1,0,0|1,0,1]=4 808 B10R1.348 O=C(O)C1CNCCCO1 MCULE-3064687044 [1,0,0,1,0,0|1,0,1]=4 809 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2016813857 [1,0,0,1,0,0|1,0,1]=4 810 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2504826586 [1,0,0,1,0,0|1,0,1]=4 811 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-4939523441 [1,0,0,1,0,0|1,0,1]=4 812 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-8497154031 [1,0,0,1,0,0|1,0,1]=4 813 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-1709248067 [1,0,0,1,0,0|1,0,1]=4 814 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4607599990 [1,0,0,1,0,0|1,0,1]=4 815 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4947785395 [1,0,0,1,0,0|1,0,1]=4 816 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-8502245212 [1,0,0,1,0,0|1,0,1]=4 817 B10R1.54 CC(=O)CC1CCC(=O)N1 MCULE-5590242632 [0,0,0,1,1,0|2,0,0]=4 818 B10R1.54 CC1CCC(O1)CC(=O)O MCULE-8857014749 [0,0,0,1,1,0|1,0,1]=4 819 B10R1.54 O=C(O)CC1CCC(=O)C1 MCULE-8065311815 [0,0,0,1,1,0|1,0,0]=3 820 B10R1.54 O=C(O)CC1CCC(=O)N1 MCULE-4378271581 [0,0,0,1,1,0|1,0,0]=3 821 B10R1.54 O=C(O)CC1CCC(=O)O1 MCULE-3722776234 [0,0,0,1,1,0|0,0,0]=2 822 B10R1.54 O=C(O)CC1CCC(C1)O MCULE-1306554926 [0,0,0,1,1,0|1,0,1]=4 823 B10R1.54 O=C(O)CC1CNC(=O)C1 MCULE-1228415378 [0,0,0,1,1,0|2,0,0]=4 824 B10R1.54 O=C(O)CC1COC(=O)C1 MCULE-9024324984 [0,0,0,1,1,0|2,0,0]=4 825 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-1558139461 [0,0,0,1,1,0|2,0,0]=4 826 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-6202445610 [0,0,0,1,1,0|2,0,0]=4 827 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-2294433482 [0,0,0,1,1,0|1,0,0]=3 828 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-6637712682 [0,0,0,1,1,0|1,0,0]=3 829 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](C1)O MCULE-2394601749 [0,0,0,1,1,0|1,0,1]=4 830 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-1700675888 [0,0,0,1,1,0|1,0,0]=3 831 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-3179723751 [0,0,0,1,1,0|1,0,0]=3 832 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-1080082151 [0,0,0,1,1,0|1,0,0]=3 833 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-2947978966 [0,0,0,1,1,0|1,0,0]=3 834 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 MCULE-1807368276 [0,0,0,1,1,0|2,0,0]=4 835 B10R1.82 O=C(O)CCC1CC(=O)C1 MCULE-8509527472 [0,0,0,1,1,0|1,0,0]=3 836 B10R1.113 CC1CCCC(O1)C(=O)O MCULE-2545962496 [0,0,0,1,1,0|1,0,1]=4 837 B10R1.113 NC(=O)C1CCCC(=O)C1 MCULE-3502536681 [0,0,0,1,1,0|2,0,0]=4 838 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,0,0,1,1,0|1,0,1]=4 839 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,0,0,1,1,0|1,0,1]=4 840 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,0,0,1,1,0|1,0,1]=4 841 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,0,0,1,1,0|1,0,1]=4 842 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,0,0,1,1,0|1,0,1]=4 843 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,0,0,1,1,0|1,0,1]=4 844 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,0,0,1,1,0|1,0,1]=4 845 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,0,0,1,1,0|1,0,1]=4 846 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,0,0,1,1,0|1,0,1]=4 847 B10R1.113 O=C1C=C(CCC1)C(=O)O MCULE-6477437107 [0,0,0,1,1,0|1,0,1]=4 848 B10R1.113 O=C1CC(CCN1)C(=O)O MCULE-8037650535 [0,0,0,1,1,0|2,0,0]=4 849 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [0,0,0,1,1,0|1,0,0]=3 850 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [0,0,0,1,1,0|1,0,0]=3 851 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [0,0,0,1,1,0|1,0,0]=3 852 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [0,0,0,1,1,0|1,0,0]=3 853 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [0,0,0,1,1,0|1,0,0]=3 854 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [0,0,0,1,1,0|1,0,0]=3 855 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [0,0,0,1,1,0|1,0,0]=3 856 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [0,0,0,1,1,0|1,0,0]=3 857 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [0,0,0,1,1,0|1,0,0]=3 858 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [0,0,0,1,1,0|2,0,0]=4 859 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [0,0,0,1,1,0|2,0,0]=4 860 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [0,0,0,1,1,0|2,0,0]=4 861 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [0,0,0,1,1,0|2,0,0]=4 862 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [0,0,0,1,1,0|2,0,0]=4 863 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [0,0,0,1,1,0|2,0,0]=4 864 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [0,0,0,1,1,0|2,0,0]=4 865 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [0,0,0,1,1,0|2,0,0]=4 866 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [0,0,0,1,1,0|2,0,0]=4 867 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [0,0,0,1,1,0|2,0,0]=4 868 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [0,0,0,1,1,0|2,0,0]=4 869 B10R1.113 O=C1C[C@@H](CCN1)C(=O)O MCULE-5205458306 [0,0,0,1,1,0|2,0,0]=4 870 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-6254957663 [0,0,0,1,1,0|2,0,0]=4 871 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-9670666580 [0,0,0,1,1,0|2,0,0]=4 872 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [0,0,0,1,1,0|2,0,0]=4 873 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [0,0,0,1,1,0|2,0,0]=4 874 B10R1.113 O=C1NCCC(O1)C(=O)O MCULE-1272116406 [0,0,0,1,1,0|1,0,0]=3 875 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [0,0,0,1,1,0|2,0,0]=4 876 B10R1.128 O=C(O)C1CCCS1(=O)=O MCULE-6333477940 [0,0,0,1,1,0|1,0,1]=4 877 B10R1.361 CC(=O)N1CCC1C(=O)O MCULE-4216069349 [0,0,0,1,1,0|2,0,0]=4 878 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O MCULE-3086147567 [0,0,0,1,1,0|2,0,0]=4 879 B10R1.361 NC(=O)C1CCC1C(=O)O MCULE-3903818494 [0,0,0,1,1,0|1,0,0]=3 880 B10R1.361 NC(=O)[C@H]1CC[C@H]1C(=O)N MCULE-7732298882 [0,0,0,1,1,0|2,0,0]=4 881 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [0,0,0,1,1,0|0,0,0]=2 882 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [0,0,0,1,1,0|0,0,0]=2 883 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [0,0,0,1,1,0|0,0,0]=2 884 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [0,0,0,1,1,0|0,0,0]=2 885 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [0,0,0,1,1,0|0,0,0]=2 886 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [0,0,0,1,1,0|0,0,0]=2 887 B10R1.361 [C@@H]1(CC[C@@H]1C(=O)O)C(=O)O MCULE-4637916300 [0,0,0,1,1,0|0,0,0]=2 888 B12R1.226 O=C(O)CCC1CCCC(=O)N1 MCULE-3373923105 [0,0,0,1,0,1|1,0,0]=3 889 B12R1.226 O=C(O)CCN1CCNC(=O)C1 MCULE-1196913749 [0,0,0,1,0,1|2,0,0]=4 890 B12R1.261 CC(=O)N1CCCCC1C(=O)O MCULE-9909402121 [0,0,0,1,0,1|1,0,0]=3 891 B12R1.261 CC(=O)N1CCNCC1C(=O)O MCULE-8968360886 [0,0,0,1,0,1|2,0,0]=4 892 B12R1.261 CC(=O)N1CCOCC1C(=O)O MCULE-4489986949 [0,0,0,1,0,1|2,0,0]=4 893 B12R1.261 N=C(N)C1NCCCC1C(=O)O MCULE-8300973436 [0,0,0,1,0,1|2,0,0]=4 894 B12R1.261 NC(=O)C1CCCCC1C(=O)O MCULE-3798252597 [0,0,0,1,0,1|1,0,0]=3 895 B12R1.261 NC(=O)N1CCCCC1C(=O)O MCULE-9551488406 [0,0,0,1,0,1|1,0,0]=3 896 B12R1.261 NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-9257976565 [0,0,0,1,0,1|1,0,1]=4 897 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-7178475126 [0,0,0,1,0,1|1,0,0]=3 898 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-8672445916 [0,0,0,1,0,1|1,0,0]=3 899 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-2394611865 [0,0,0,1,0,1|1,0,0]=3 900 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4597512342 [0,0,0,1,0,1|1,0,0]=3 901 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3656636765 [0,0,0,1,0,1|1,0,0]=3 902 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3887795119 [0,0,0,1,0,1|1,0,0]=3 903 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-4029989910 [0,0,0,1,0,1|1,0,0]=3 904 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-6704294440 [0,0,0,1,0,1|1,0,0]=3 905 B12R1.261 O=C(Cl)C1CCCCC1C(=O)Cl MCULE-7151176665 [0,0,0,1,0,1|2,0,0]=4 906 B12R1.261 O=C(O)C1=C(CCCC1)C(=O)O MCULE-2633452606 [0,0,0,1,0,1|0,0,1]=3 907 B12R1.261 O=C(O)C1CC=CCC1C(=O)O MCULE-8208403883 [0,0,0,1,0,1|0,0,1]=3 908 B12R1.261 O=C(O)C1CCCCC1C(=O)O MCULE-3185409075 [0,0,0,1,0,1|0,0,0]=2 909 B12R1.261 O=C(O)C1CCCCN1C(=O)O MCULE-9397034021 [0,0,0,1,0,1|0,0,0]=2 910 B12R1.261 O=C(O)C1CCCNC1C(=O)O MCULE-3938002780 [0,0,0,1,0,1|0,0,0]=2 911 B12R1.261 O=C(O)C1CCCNC1C(=O)O MCULE-6316865811 [0,0,0,1,0,1|0,0,0]=2 912 B12R1.261 O=C(O)C1CCNCC1C(=O)O MCULE-6895708229 [0,0,0,1,0,1|0,0,0]=2 913 B12R1.261 O=C(O)C1CCNCC1C(=O)O MCULE-8118548559 [0,0,0,1,0,1|0,0,0]=2 914 B12R1.261 O=C(O)C1NCCNC1C(=O)O MCULE-5683104657 [0,0,0,1,0,1|1,0,0]=3 915 B12R1.261 O=C(O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-3658680121 [0,0,0,1,0,1|0,0,1]=3 916 B12R1.261 O=C(O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-5277132939 [0,0,0,1,0,1|0,0,1]=3 917 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4895515726 [0,0,0,1,0,1|0,0,0]=2 918 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4906980900 [0,0,0,1,0,1|0,0,0]=2 919 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-7747323415 [0,0,0,1,0,1|0,0,0]=2 920 B12R1.261 O=C(O)[C@@H]1NCCN[C@H]1C(=O)O MCULE-1130925107 [0,0,0,1,0,1|1,0,0]=3 921 B12R1.261 O=C(O)[C@H]1CC=CC[C@H]1C(=O)O MCULE-7062667000 [0,0,0,1,0,1|0,0,1]=3 922 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-1184405040 [0,0,0,1,0,1|0,0,0]=2 923 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3346909877 [0,0,0,1,0,1|0,0,0]=2 924 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O MCULE-9506589203 [0,0,0,1,0,1|0,0,0]=2 925 B12R1.261 O=C(O)[C@H]1CCCN[C@H]1C(=O)O MCULE-4882537337 [0,0,0,1,0,1|0,0,0]=2 926 B12R1.261 O=C(O)[C@H]1CCCN[C@H]1C(=O)O MCULE-6755541512 [0,0,0,1,0,1|0,0,0]=2 927 B12R1.261 O=C(O)[C@H]1NCCC[C@H]1C(=O)O MCULE-3174459162 [0,0,0,1,0,1|0,0,0]=2 928 B12R1.261 O=C(O)[C@H]1NCCC[C@H]1C(=O)O MCULE-5812717043 [0,0,0,1,0,1|0,0,0]=2 929 B12R1.391 O=C(O)CN1CCCCS1(=O)=O MCULE-7485206053 [0,0,0,1,0,1|1,0,1]=4 930 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)O MCULE-1519984794 [0,0,0,1,0,1|1,0,1]=4 931 B12R1.392 O=C(O)CN1CCCC1C(=O)O MCULE-3986378820 [0,0,0,1,0,1|0,0,0]=2 932 B12R1.874 O=C(O)CC1CCCCC(=O)N1 MCULE-9763824152 [0,0,0,1,0,1|1,0,0]=3 933 B12R1.874 O=C(O)CC1CCCNC(=O)C1 MCULE-2622321919 [0,0,0,1,0,1|1,0,0]=3 934 B12R1.924 O=C(O)CCN1CCCS1(=O)=O MCULE-2793044482 [0,0,0,1,0,1|1,0,1]=4 935 B12R1.1011 O=C1CCCCCC(C1)C(=O)O MCULE-3072060660 [0,0,0,1,0,1|1,0,0]=3 936 B12R1.1821 CC1(CCCC(O1)CC(=O)O)C MCULE-4104007715 [0,1,0,1,0,0|1,0,1]=4 937 B12R1.1821 O=C(O)CC1CCCS(=O)(=O)C1 MCULE-4900774399 [0,1,0,1,0,0|1,0,1]=4 938 B12R1.258 CC(=O)N1CCCC(C1)C(=O)O MCULE-2326703264 [0,1,0,1,0,0|2,0,0]=4 939 B12R1.258 CC(=O)N1CCC[C@@H](C1)C(=O)O MCULE-2720998952 [0,1,0,1,0,0|2,0,0]=4 940 B12R1.258 CC(=O)N1CCC[C@@H](C1)C(=O)O MCULE-4356837818 [0,1,0,1,0,0|2,0,0]=4 941 B12R1.258 CC(=O)N1CCC[C@H](C1)C(=O)O MCULE-4379891928 [0,1,0,1,0,0|2,0,0]=4 942 B12R1.258 CC(=O)N1CCC[C@H](C1)C(=O)O MCULE-8013678613 [0,1,0,1,0,0|2,0,0]=4 943 B12R1.258 NC(=O)C1CCCC(C1)C(=O)O MCULE-2730743019 [0,1,0,1,0,0|1,0,0]=3 944 B12R1.258 NC(=O)C1CCC[C@@H](C1)C(=O)O MCULE-6377571763 [0,1,0,1,0,0|1,0,0]=3 945 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6020689201 [0,1,0,1,0,0|2,0,0]=4 946 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6379077809 [0,1,0,1,0,0|2,0,0]=4 947 B12R1.258 O=C(Cl)C1CCCC(C1)C(=O)Cl MCULE-8205315067 [0,1,0,1,0,0|2,0,0]=4 948 B12R1.258 O=C(O)C1CCCC(C1)C(=O)O MCULE-7196171464 [0,1,0,1,0,0|0,0,0]=2 949 B12R1.258 O=C(O)C1CCCC(N1)C(=O)O MCULE-1816268674 [0,1,0,1,0,0|0,0,0]=2 950 B12R1.258 O=C(O)C1CCNC(C1)C(=O)O MCULE-5359047625 [0,1,0,1,0,0|1,0,0]=3 951 B12R1.258 O=C(O)C1CN(CCO1)C(=O)O MCULE-2737322968 [0,1,0,1,0,0|2,0,0]=4 952 B12R1.258 O=C(O)C1CNCC(C1)C(=O)O MCULE-2177789382 [0,1,0,1,0,0|1,0,0]=3 953 B12R1.258 O=C(O)[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-3140137492 [0,1,0,1,0,0|0,0,0]=2 954 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C1)C(=O)O MCULE-4449782615 [0,1,0,1,0,0|0,0,0]=2 955 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C1)C(=O)O MCULE-8158708245 [0,1,0,1,0,0|0,0,0]=2 956 B12R1.258 O=C(O)[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-1278208764 [0,1,0,1,0,0|1,0,0]=3 957 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2075996893 [0,1,0,1,0,0|0,0,0]=2 958 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2751748723 [0,1,0,1,0,0|0,0,0]=2 959 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-9442455281 [0,1,0,1,0,0|0,0,0]=2 960 B12R1.258 O=C(O)[C@H]1CCC[C@H](C1)C(=O)O MCULE-3306746591 [0,1,0,1,0,0|0,0,0]=2 961 B12R1.258 O=C(O)[C@H]1CCN[C@H](C1)C(=O)O MCULE-6924240838 [0,1,0,1,0,0|1,0,0]=3 962 B12R1.1388 CC(=O)N1CCCC1(C)C(=O)O MCULE-1907207934 [0,1,0,1,0,0|2,0,0]=4 963 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)O MCULE-3679005256 [0,1,0,1,0,0|2,0,0]=4 964 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)O MCULE-5226979290 [0,1,0,1,0,0|2,0,0]=4 965 B12R1.2709 CC1(CCCCC(=O)N1)C(=O)O MCULE-4375736331 [0,1,0,1,0,0|1,0,0]=3 966 B12R1.263 CS(=O)(=O)C1CCCC1C(=O)O MCULE-2056304673 [0,1,0,1,0,0|1,0,1]=4 967 B12R1.1806 O=C(O)CCC1CCS(=O)(=O)C1 MCULE-8265773312 [0,1,0,1,0,0|1,0,1]=4 968 B12R1.21 O=C(O)CCC1=NNC(=O)CC1 MCULE-7763668133 [0,1,0,1,0,0|1,0,1]=4 969 B12R1.21 O=C(O)CCC1CCC(=O)CC1 MCULE-5805639266 [0,1,0,1,0,0|1,0,0]=3 970 B12R1.21 O=C(O)CCC1CCC(=O)NC1 MCULE-4463958596 [0,1,0,1,0,0|1,0,0]=3 971 B12R1.21 O=C(O)CCN1CCC(=O)CC1 MCULE-3345805432 [0,1,0,1,0,0|2,0,0]=4 972 B12R1.21 O=C(O)CNC1CCC(=O)CC1 MCULE-8506813160 [0,1,0,1,0,0|2,0,0]=4 973 B12R1.850 CC(=O)N1CC(CC1C(=O)O)O MCULE-9681082607 [0,1,0,1,0,0|2,0,0]=4 974 B12R1.850 CC(=O)N1CC(C[C@H]1C(=O)O)O MCULE-5097508255 [0,1,0,1,0,0|2,0,0]=4 975 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O MCULE-2576782102 [0,1,0,1,0,0|2,0,0]=4 976 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O MCULE-5490909004 [0,1,0,1,0,0|2,0,0]=4 977 B12R1.850 CC1CC(C(C1)C(=O)O)C(=O)O MCULE-5449345895 [0,1,0,1,0,0|0,0,0]=2 978 B12R1.850 CN1C[C@@H]([C@H](C1)C(=O)O)C(=O)O MCULE-5250461580 [0,1,0,1,0,0|1,0,0]=3 979 B12R1.850 NC(=O)N1CC(CC1C(=O)O)O MCULE-4811638403 [0,1,0,1,0,0|2,0,0]=4 980 B12R1.850 O=C(O)[C@@H]1C[C@@H](CN1C(=O)O)Cl MCULE-4142014126 [0,1,0,1,0,0|1,0,0]=3 981 B12R1.850 O=C1CC(C(C1)C(=O)O)C(=O)O MCULE-4393869476 [0,1,0,1,0,0|0,0,1]=3 982 B12R1.850 O=C1CC(C(O1)C(=O)O)C(=O)O MCULE-6848457652 [0,1,0,1,0,0|1,0,1]=4 983 B12R1.850 O=C1CC([C@@H](C1)C(=O)O)C(=O)O MCULE-9478964359 [0,1,0,1,0,0|0,0,1]=3 984 B12R1.3799 CC1(CCC(=O)N1)CCC(=O)O MCULE-8613144351 [0,1,0,1,0,0|1,0,0]=3 985 B12R1.50 COC(=O)CC1CC(=O)CCO1 MCULE-6097920602 [0,1,0,1,0,0|2,0,0]=4 986 B12R1.50 COC(=O)CC1CCCC(=O)C1 MCULE-1248399119 [0,1,0,1,0,0|1,0,0]=3 987 B12R1.50 COC(=O)CC1CCCC(C1)O MCULE-4558889415 [0,1,0,1,0,0|1,0,1]=4 988 B12R1.368 CCC(=O)N1CCCC1C(=O)O MCULE-9954111494 [0,1,0,1,0,0|2,0,0]=4 989 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O MCULE-1913297626 [0,1,0,1,0,0|2,0,0]=4 990 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O MCULE-2045476528 [0,1,0,1,0,0|2,0,0]=4 991 B12R1.368 COC(=O)C1CCCC1C(=O)O MCULE-9581431032 [0,1,0,1,0,0|0,0,0]=2 992 B12R1.368 COC(=O)C1CCCN1C(=O)C MCULE-8802023119 [0,1,0,1,0,0|2,0,0]=4 993 B12R1.368 COC(=O)C1CCOC1C(=O)O MCULE-9344196403 [0,1,0,1,0,0|1,0,0]=3 994 B12R1.368 COC(=O)N1CCCC1C(=O)O MCULE-6437652218 [0,1,0,1,0,0|1,0,0]=3 995 B12R1.368 COC(=O)N1CCC[C@H]1C(=O)O MCULE-6677449749 [0,1,0,1,0,0|1,0,0]=3 996 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C MCULE-1539729894 [0,1,0,1,0,0|2,0,0]=4 997 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C MCULE-6239169294 [0,1,0,1,0,0|2,0,0]=4 998 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)Cl MCULE-6589451806 [0,1,0,1,0,0|2,0,0]=4 999 B12R1.368 COC(=O)[C@@H]1CCC[C@H]1C(=O)O MCULE-3708284379 [0,1,0,1,0,0|0,0,0]=2 1000 B12R1.368 COC(=O)[C@@H]1CCC[C@H]1C(=O)O MCULE-7207251404 [0,1,0,1,0,0|0,0,0]=2 1001 B12R1.368 COC(=O)[C@H]1CCC[C@@H]1C(=O)O MCULE-2395296422 [0,1,0,1,0,0|0,0,0]=2 1002 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O MCULE-1837515410 [0,1,0,1,0,0|0,0,0]=2 1003 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O MCULE-4611068546 [0,1,0,1,0,0|0,0,0]=2 1004 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O MCULE-7157008551 [0,1,0,1,0,0|0,0,0]=2 1005 B12R1.368 NCC(=O)N1CCCC1C(=O)O MCULE-9336761803 [0,1,0,1,0,0|2,0,0]=4 1006 B12R1.368 NCC(=O)N1CCC[C@@H]1C(=O)O MCULE-1248159536 [0,1,0,1,0,0|2,0,0]=4 1007 B12R1.368 NCC(=O)N1CCC[C@@H]1C(=O)O MCULE-9799276065 [0,1,0,1,0,0|2,0,0]=4 1008 B12R1.368 NCC(=O)N1CCC[C@H]1C(=O)O MCULE-7301156127 [0,1,0,1,0,0|2,0,0]=4 1009 B12R1.368 NCC(=O)N1CCC[C@H]1C(=O)O MCULE-8430609992 [0,1,0,1,0,0|2,0,0]=4 1010 B12R1.368 O=C(O)C1CCCN1C(=O)CCl MCULE-1905760826 [0,1,0,1,0,0|2,0,0]=4 1011 B12R1.368 O=C(O)[C@@H]1CCCN1C(=O)CCl MCULE-6598651648 [0,1,0,1,0,0|2,0,0]=4 1012 B12R1.368 O=C(O)[C@@H]1CCCN1C(=O)CCl MCULE-9375937467 [0,1,0,1,0,0|2,0,0]=4 1013 B12R1.438 COC1CCCC(C1)CC(=O)O MCULE-9301642131 [0,1,0,1,0,0|1,0,1]=4 1014 B12R1.626 COC1CCCCC(C1)C(=O)O MCULE-7462960246 [0,1,0,1,0,0|1,0,1]=4 1015 B12R1.876 CN1CCCCC(C1=O)C(=O)O MCULE-1994074957 [0,1,0,1,0,0|2,0,0]=4 1016 B12R1.1657 COC(=O)C1CCCCC(=O)C1 MCULE-4513192027 [0,1,0,1,0,0|1,0,0]=3 1017 B12R1.1657 COC(=O)C1CCCCC(C1)O MCULE-1860574811 [0,1,0,1,0,0|1,0,1]=4 1018 B12R2.253 O=C(O)C1CC2CCC(C1)O2 MCULE-4617510506 [0,0,0,2,0,0|1,0,1]=4 1019 B12R2.253 O=C(O)[C@@H]1C[C@@H]2CC[C@H](C1)O2 MCULE-2909105123 [0,0,0,2,0,0|1,0,1]=4 1020 B12R2.1145 O=C(O)C1CC2CC(=O)C1C2 MCULE-9601771232 [0,0,0,2,0,0|1,0,0]=3 1021 B12R2.1145 O=C(O)C1CC2CC(=O)C1O2 MCULE-8904137795 [0,0,0,2,0,0|2,0,0]=4 1022 B12R2.1145 O=C(O)C1CC2CC(C1C2)O MCULE-9092645789 [0,0,0,2,0,0|1,0,1]=4 1023 B12R2.1145 O=C(O)C1CC2CC1C(=O)O2 MCULE-4878928430 [0,0,0,2,0,0|0,0,0]=2 1024 B12R2.1145 O=C(O)C1C[C@H]2CC(=O)[C@@H]1C2 MCULE-8622443304 [0,0,0,2,0,0|1,0,0]=3 1025 B12R2.1145 O=C1C[C@H]2C[C@H]([C@@H]1O2)C(=O)O MCULE-9409997812 [0,0,0,2,0,0|2,0,0]=4 1026 B12R2.1145 [C@@H]12C[C@H]([C@@H](C1)C(=O)O2)C(=O)O MCULE-2764304664 [0,0,0,2,0,0|0,0,0]=2 1027 B12R2.1145 [C@@H]12O[C@@H](CC1=O)C[C@H]2C(=O)O MCULE-7942669188 [0,0,0,2,0,0|2,0,0]=4 1028 B12R2.1168 O=C1CCC2(O1)CCC(=O)O2 MCULE-3516974672 [0,0,0,2,0,0|0,0,0]=2 1029 B12R2.1661 O=C(O)CC1CC2CCC1O2 MCULE-4541461263 [0,0,0,2,0,0|1,0,1]=4 1030 B12R2.2456 O=C(O)C1NCC2C1C(=O)C2 MCULE-2804546268 [0,0,0,2,0,0|2,0,0]=4 1031 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,0,0,0,2,0|2,0,0]=4 1032 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,2,0|2,0,0]=4 1033 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,0,0,0,2,0|2,0,0]=4 1034 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,0,0,0,2,0|2,0,0]=4 1035 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,0,0,2,0|2,0,0]=4 1036 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,2,0|1,0,0]=3 1037 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,2,0|2,0,0]=4 1038 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,2,0|2,0,0]=4 1039 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,2,0|2,0,0]=4 1040 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,0,0,2,0|1,0,1]=4 1041 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,0,0,0,2,0|2,0,0]=4 1042 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,0,0,2,0|1,0,0]=3 1043 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,2,0|2,0,0]=4 1044 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,0,0,2,0|2,0,0]=4 1045 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,0,0,2,0|2,0,0]=4 1046 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,2,0|2,0,0]=4 1047 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,0,0,0,2,0|2,0,0]=4 1048 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,0,0,0,2,0|0,0,2]=4 1049 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,0,0,0,2,0|0,0,2]=4 1050 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,0,0,2,0|0,0,0]=2 1051 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,0,0,0,2,0|1,0,1]=4 1052 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,0,0,2,0|1,0,0]=3 1053 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,0,0,2,0|1,0,0]=3 1054 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,0,0,2,0|1,0,0]=3 1055 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,0,0,0,2,0|0,0,2]=4 1056 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,0,0,2,0|1,0,1]=4 1057 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,0,0,2,0|1,0,1]=4 1058 B12R0.268 CC(=O)CCCCCC=CC(=O)O MCULE-5335097568 [0,0,0,0,0,2|1,0,0]=3 1059 B12R0.268 CC(=O)CCCCCCCC(=O)O MCULE-5299092348 [0,0,0,0,0,2|1,0,0]=3 1060 B12R0.268 CC(=O)NCCCCCNC(=O)C MCULE-4106454618 [0,0,0,0,0,2|2,0,0]=4 1061 B12R0.268 CC(=O)OCCCCCOC(=O)C MCULE-2363953695 [0,0,0,0,0,2|2,0,0]=4 1062 B12R0.268 CC(O)CCCCCCCC(=O)O MCULE-2753582455 [0,0,0,0,0,2|1,0,1]=4 1063 B12R0.268 NC(=O)CCCCCCCC(=O)O MCULE-3125592334 [0,0,0,0,0,2|1,0,0]=3 1064 B12R0.268 O=C(Cl)CCCCCCCC(=O)Cl MCULE-9993434552 [0,0,0,0,0,2|2,0,0]=4 1065 B12R0.268 O=C(O)CCCCCCCC(=O)O MCULE-4093240509 [0,0,0,0,0,2|0,0,0]=2 1066 B12R0.268 O=C(O)CCCCCCON(=O)=O MCULE-5045906943 [0,0,0,0,0,2|1,0,1]=4 1067 B12R0.268 O=C(O)CCCCNCCC(=O)O MCULE-2001162043 [0,0,0,0,0,2|0,0,0]=2 1068 B12R0.268 O=C(O)CCCCNCCC(=O)O MCULE-8676764057 [0,0,0,0,0,2|0,0,0]=2 1069 B12R0.268 O=C(O)CCCNCCCC(=O)O MCULE-1624663865 [0,0,0,0,0,2|0,0,0]=2 1070 B12R0.268 O=C(O)CCCOCCCC(=O)O MCULE-5250506996 [0,0,0,0,0,2|0,0,0]=2 1071 B12R0.268 O=C(O)CCSCSCCC(=O)O MCULE-5771159784 [0,0,0,0,0,2|0,0,0]=2 1072 B12R0.268 O=C(O)CNCCCNCC(=O)O MCULE-7974649276 [0,0,0,0,0,2|0,0,0]=2 1073 B12R0.268 O=C(O)CSCCCSCC(=O)O MCULE-6412986208 [0,0,0,0,0,2|0,0,0]=2