0 B10R0.97 C=C(Br)CCCCCC(=O)O MCULE-1129581582 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.97 C=C(C)CCCCCC(=O)O MCULE-6091105789 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.97 C=C(Cl)CCCCCC(=O)O MCULE-6548751857 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.97 CC(=CCCCCC(=O)O)C MCULE-6679290438 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.97 CC(=O)CCCCCC(=O)Cl MCULE-9699420066 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [0,0,0,0,0,0|2,0,0]=2 6 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [0,0,0,0,0,0|3,0,0]=3 7 B10R0.97 CC(=O)NCCOCC(=O)O MCULE-8156973678 [0,0,0,0,0,0|4,0,0]=4 8 B10R0.97 CC(=O)NCSCCC(=O)O MCULE-1672994332 [0,0,0,0,0,0|2,0,0]=2 9 B10R0.97 CC(C)CCCCCC(=O)O MCULE-6934503036 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [0,0,0,0,0,0|2,0,1]=3 11 B10R0.97 CN(C)CCCCCC(=O)O MCULE-1002014230 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.97 CN(C)CCCCCC(=O)O MCULE-2670396647 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.97 N=C(N)NCCCCC(=O)O MCULE-2807872503 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.97 N=C(N)SCCCCC(=O)O MCULE-6602460811 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.97 NC(=O)CCSCCC(=O)N MCULE-6169485438 [0,0,0,0,0,0|2,0,0]=2 16 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [0,0,0,0,0,0|3,0,0]=3 17 B10R0.97 NC(=[NH2+])SCCCCC(=O)O MCULE-4252972328 [0,0,0,0,0,0|4,0,0]=4 18 B10R0.97 O=C(Cl)CCCCCC(=O)Cl MCULE-6184277171 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.97 O=C(O)CCCCCC(=O)O MCULE-9618389016 [0,0,0,0,0,0|1,0,0]=1 20 B10R0.97 O=C(O)CCCCCC(F)F MCULE-9302536317 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.97 O=C(O)CCCCCN(=O)=O MCULE-4861594242 [0,0,0,0,0,0|2,0,1]=3 22 B10R0.97 O=C(O)CCCCON(=O)=O MCULE-6522646680 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.97 O=C(O)CCNCCC(=O)O MCULE-9497656945 [0,0,0,0,0,0|1,0,0]=1 24 B10R0.97 O=C(O)CCOCCC(=O)O MCULE-3213537394 [0,0,0,0,0,0|0,1,0]=1 25 B10R0.97 O=C(O)CCSCCC(=O)O MCULE-1300073378 [0,0,0,0,0,0|0,0,0]=0 26 B10R0.97 O=C(O)CSCSCC(=O)O MCULE-7223873834 [0,0,0,0,0,0|3,0,0]=3 27 B9R0.2 C#CCCCCCC(=O)O MCULE-4594227399 [1,0,0,0,0,0|2,0,1]=4 28 B9R0.2 C=CCCCCCC(=O)C MCULE-7133840219 [1,0,0,0,0,0|3,0,0]=4 29 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [1,0,0,0,0,0|2,0,0]=3 30 B9R0.2 C=CCOCCCC(=O)O MCULE-5276221892 [1,0,0,0,0,0|3,0,0]=4 31 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [1,0,0,0,0,0|2,0,1]=4 32 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [1,0,0,0,0,0|1,1,1]=4 33 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [1,0,0,0,0,0|1,0,1]=3 34 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [1,0,0,0,0,0|3,0,0]=4 35 B9R0.2 CNCCOCCC(=O)O MCULE-6581967922 [1,0,0,0,0,0|2,1,0]=4 36 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [1,0,0,0,0,0|3,0,0]=4 37 B9R0.2 COCCNCCC(=O)O MCULE-3571993123 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.2 COCCOCCC(=O)O MCULE-5125891492 [1,0,0,0,0,0|2,1,0]=4 39 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [1,0,0,0,0,0|3,0,0]=4 40 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [1,0,0,0,0,0|3,0,0]=4 41 B9R0.2 N#CCCCCCC(=O)O MCULE-6510846674 [1,0,0,0,0,0|2,0,1]=4 42 B9R0.2 N#CCCNCCC(=O)O MCULE-5749626028 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.2 NC(=O)CCCCCCO MCULE-7432797193 [1,0,0,0,0,0|2,0,1]=4 44 B9R0.2 NC(=O)CCNCCCO MCULE-1089880795 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.2 NC(=O)CCNCCCO MCULE-8808474432 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.2 NCCSSCCC(=O)O MCULE-2378332819 [1,0,0,0,0,0|2,0,1]=4 49 B9R0.2 NCCSSCCC(=O)O MCULE-4249865017 [1,0,0,0,0,0|2,0,1]=4 50 B9R0.2 NOCCCCCC(=O)O MCULE-3221083368 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.2 NOCCCCCC(=O)O MCULE-6721085396 [1,0,0,0,0,0|3,0,0]=4 52 B9R0.2 NOCCCCCC(=O)O MCULE-7170875932 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [1,0,0,0,0,0|2,0,1]=4 54 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [1,0,0,0,0,0|2,0,1]=4 55 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [1,0,0,0,0,0|1,0,1]=3 56 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [1,0,0,0,0,0|1,1,1]=4 57 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [1,0,0,0,0,0|2,0,1]=4 58 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [1,0,0,0,0,0|1,0,0]=2 60 B11R0.29 CC(=CCSC[C@H](N)C(=O)O)C MCULE-5799863579 [0,1,0,0,0,0|2,0,1]=4 61 B11R0.29 CC(=O)C(C)CCCCC(=O)O MCULE-7016988868 [0,1,0,0,0,0|2,0,0]=3 62 B11R0.29 CC(=O)NCCCC(N)C(=O)O MCULE-5671867593 [0,1,0,0,0,0|3,0,0]=4 63 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-1987849167 [0,1,0,0,0,0|3,0,0]=4 64 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-5655137268 [0,1,0,0,0,0|3,0,0]=4 65 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-1098301355 [0,1,0,0,0,0|3,0,0]=4 66 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-3518739302 [0,1,0,0,0,0|3,0,0]=4 67 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-1709640374 [0,1,0,0,0,0|2,0,0]=3 68 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-3550759506 [0,1,0,0,0,0|2,0,0]=3 69 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-6373295824 [0,1,0,0,0,0|2,0,0]=3 70 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7013130042 [0,1,0,0,0,0|2,0,0]=3 71 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7188611038 [0,1,0,0,0,0|2,0,0]=3 72 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-8606728410 [0,1,0,0,0,0|2,0,0]=3 73 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-1846985795 [0,1,0,0,0,0|3,0,0]=4 74 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-2934599717 [0,1,0,0,0,0|3,0,0]=4 75 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-3474712900 [0,1,0,0,0,0|3,0,0]=4 76 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-7235564115 [0,1,0,0,0,0|3,0,0]=4 77 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O MCULE-2695923449 [0,1,0,0,0,0|2,0,0]=3 78 B11R0.29 CC(C)CCSC[C@@H](N)C(=O)O MCULE-5853886859 [0,1,0,0,0,0|2,0,1]=4 79 B11R0.29 CC(C)CCSC[C@H](N)C(=O)O MCULE-3979333384 [0,1,0,0,0,0|2,0,1]=4 80 B11R0.29 CC(C)CCSC[C@H](N)C(=O)O MCULE-8382723630 [0,1,0,0,0,0|2,0,1]=4 81 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-3107139098 [0,1,0,0,0,0|3,0,0]=4 82 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9077514633 [0,1,0,0,0,0|3,0,0]=4 83 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9892421890 [0,1,0,0,0,0|3,0,0]=4 84 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-7003128917 [0,1,0,0,0,0|3,0,0]=4 85 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-9135693560 [0,1,0,0,0,0|3,0,0]=4 86 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-2081339988 [0,1,0,0,0,0|3,0,0]=4 87 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5380647071 [0,1,0,0,0,0|3,0,0]=4 88 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5746772887 [0,1,0,0,0,0|3,0,0]=4 89 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,1,0,0,0,0|1,0,0]=2 90 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-7425052021 [0,1,0,0,0,0|1,0,1]=3 91 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-8991194580 [0,1,0,0,0,0|1,0,1]=3 92 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [0,1,0,0,0,0|0,0,0]=1 93 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-3187192569 [0,1,0,0,0,0|2,0,1]=4 94 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7635800556 [0,1,0,0,0,0|2,0,1]=4 95 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7716159403 [0,1,0,0,0,0|2,0,1]=4 96 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-8309654000 [0,1,0,0,0,0|2,0,1]=4 97 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,1,0,0,0,0|1,0,0]=2 98 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,1,0,0,0,0|1,0,0]=2 99 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-1378566517 [0,1,0,0,0,0|1,0,1]=3 100 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-2158139364 [0,1,0,0,0,0|1,0,1]=3 101 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8839722581 [0,1,0,0,0,0|1,0,1]=3 102 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8903543883 [0,1,0,0,0,0|1,0,1]=3 103 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [0,1,0,0,0,0|0,0,0]=1 104 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [0,1,0,0,0,0|0,0,0]=1 105 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,1,0,0,0,0|1,0,0]=2 106 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,1,0,0,0,0|1,0,0]=2 107 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [0,1,0,0,0,0|0,0,0]=1 108 B11R0.29 O=C(O)CCCCC(=O)C(=O)O MCULE-2399783714 [0,1,0,0,0,0|1,0,1]=3 109 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-5543687296 [0,1,0,0,0,0|2,0,0]=3 110 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-9668621656 [0,1,0,0,0,0|2,0,0]=3 111 B11R0.29 [C@H]([NH3+])(CSCNC(=O)C)C(=O)O MCULE-9323832704 [0,1,0,0,0,0|2,0,0]=3 112 B11R0.31 NS(=O)(=O)CCCCCC(=O)O MCULE-7600274441 [0,1,0,0,0,0|2,0,1]=4 113 B11R0.31 O=C(O)CCCCCP(=O)(O)O MCULE-8946955517 [0,1,0,0,0,0|2,0,0]=3 114 B11R0.31 O=C(O)CCSCCC(F)(F)F MCULE-9951761838 [0,1,0,0,0,0|2,0,1]=4 115 B11R0.85 CC(=O)CCC(=O)CCC(=O)O MCULE-5526835762 [0,1,0,0,0,0|2,0,0]=3 116 B11R0.85 CN(CCC(=O)O)CCC(=O)O MCULE-6422087692 [0,1,0,0,0,0|1,0,0]=2 117 B11R0.85 CN(CCC(=O)O)CCC(=O)O MCULE-9753433782 [0,1,0,0,0,0|1,0,0]=2 118 B11R0.85 NC(=O)CCS(=O)CCC(=O)N MCULE-8007819304 [0,1,0,0,0,0|2,0,1]=4 119 B11R0.85 NC(=O)CNC(=O)CCC(=O)O MCULE-2519011568 [0,1,0,0,0,0|3,0,0]=4 120 B11R0.85 NC(CCC(=O)O)CCC(=O)O MCULE-1718560114 [0,1,0,0,0,0|1,0,0]=2 121 B11R0.85 O=C(O)CCC(=O)CCC(=O)O MCULE-2914369907 [0,1,0,0,0,0|1,0,0]=2 122 B11R0.85 O=C(O)CCC(=O)CCN(=O)=O MCULE-2588325470 [0,1,0,0,0,0|2,0,1]=4 123 B11R0.85 O=C(O)CCC(=O)NCC(=O)O MCULE-7360241516 [0,1,0,0,0,0|2,0,0]=3 124 B11R0.85 O=C(O)CCS(=O)CCC(=O)O MCULE-6732412360 [0,1,0,0,0,0|0,0,1]=2 125 B11R0.85 O=C(O)CSC(=S)SCC(=O)O MCULE-1853026961 [0,1,0,0,0,0|3,0,0]=4 126 B11R0.111 CCC(=O)CCCCCC(=O)O MCULE-8603570043 [0,1,0,0,0,0|2,0,0]=3 127 B11R0.111 COC(=O)CCCCCC(=O)O MCULE-7307151830 [0,1,0,0,0,0|1,0,0]=2 128 B11R0.111 COC(=O)CCCCCN(=O)=O MCULE-7934969106 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.75 CC1=NN(CC1)CCC(=O)O MCULE-4908327918 [0,0,0,1,0,0|3,0,0]=4 130 B11R1.75 CC1CCC(O1)CCC(=O)O MCULE-5394626301 [0,0,0,1,0,0|2,0,1]=4 131 B11R1.75 O=C(O)CCC1CCC(=O)C1 MCULE-4974585357 [0,0,0,1,0,0|2,0,0]=3 132 B11R1.75 O=C(O)CCC1CCC(=O)N1 MCULE-5441119091 [0,0,0,1,0,0|2,0,0]=3 133 B11R1.75 O=C(O)CCC1CCC(=O)O1 MCULE-8294926143 [0,0,0,1,0,0|1,0,0]=2 134 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)O1 MCULE-3037208101 [0,0,0,1,0,0|1,0,0]=2 135 B11R1.75 O=C(O)CSC1CCC(=O)N1 MCULE-5586941236 [0,0,0,1,0,0|3,0,0]=4 136 B11R1.157 CC(=O)CC1CCCC(=O)N1 MCULE-4485387072 [0,0,0,1,0,0|3,0,0]=4 137 B11R1.157 O=C(O)CC1CCCC(=O)C1 MCULE-2070450942 [0,0,0,1,0,0|2,0,0]=3 138 B11R1.157 O=C(O)CC1CCCC(=O)N1 MCULE-7470301343 [0,0,0,1,0,0|2,0,0]=3 139 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-3498688720 [0,0,0,1,0,0|3,0,0]=4 140 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-8598228573 [0,0,0,1,0,0|3,0,0]=4 141 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-1813411528 [0,0,0,1,0,0|3,0,0]=4 142 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-9022800854 [0,0,0,1,0,0|3,0,0]=4 143 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-1405603447 [0,0,0,1,0,0|3,0,0]=4 144 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-9216589773 [0,0,0,1,0,0|3,0,0]=4 145 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-1169221802 [0,0,0,1,0,0|3,0,0]=4 146 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-9915147289 [0,0,0,1,0,0|3,0,0]=4 147 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-6153628068 [0,0,0,1,0,0|2,0,0]=3 148 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-9095175540 [0,0,0,1,0,0|2,0,0]=3 149 B11R1.178 CC(=O)N1CSC[C@@H]1C(=O)O MCULE-5248938328 [0,0,0,1,0,0|2,0,0]=3 150 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-4068934366 [0,0,0,1,0,0|2,0,0]=3 151 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-8624310818 [0,0,0,1,0,0|2,0,0]=3 152 B11R1.178 NC(=O)C1CCCC1C(=O)N MCULE-4017914562 [0,0,0,1,0,0|3,0,0]=4 153 B11R1.178 NC(=O)N1CCCC1C(=O)O MCULE-2099814008 [0,0,0,1,0,0|3,0,0]=4 154 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-1581234645 [0,0,0,1,0,0|3,0,0]=4 155 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-2695707693 [0,0,0,1,0,0|3,0,0]=4 156 B11R1.178 O=C(O)C1=C(CCC1)C(=O)O MCULE-7488890401 [0,0,0,1,0,0|1,0,2]=4 157 B11R1.178 O=C(O)C1CCCC1C(=O)O MCULE-1370613174 [0,0,0,1,0,0|1,0,0]=2 158 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-2316581520 [0,0,0,1,0,0|2,0,0]=3 159 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-9331741117 [0,0,0,1,0,0|2,0,0]=3 160 B11R1.178 O=C(O)C1COCC1C(=O)O MCULE-4469020347 [0,0,0,1,0,0|0,1,0]=2 161 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)O MCULE-1970767326 [0,0,0,1,0,0|2,0,0]=3 162 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-5772739452 [0,0,0,1,0,0|1,0,0]=2 163 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-6923663809 [0,0,0,1,0,0|1,0,0]=2 164 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O MCULE-7094844570 [0,0,0,1,0,0|1,0,0]=2 165 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O MCULE-2959853524 [0,0,0,1,0,0|0,1,0]=2 166 B11R1.178 O=C(O)[C@@H]1COC[C@H]1C(=O)O MCULE-9190757159 [0,0,0,1,0,0|0,1,0]=2 167 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O MCULE-2898188373 [0,0,0,1,0,0|1,0,0]=2 168 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-4154653911 [0,0,0,1,0,0|0,1,0]=2 169 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-5321587208 [0,0,0,1,0,0|0,1,0]=2 170 B11R1.234 O=C(O)CC1CCCS1(=O)=O MCULE-9153779974 [0,0,0,1,0,0|2,0,1]=4 171 B11R1.497 CC(=O)C1CCCCC(=O)C1 MCULE-8090726810 [0,0,0,1,0,0|3,0,0]=4 172 B11R1.497 NC(=O)C1CSCCC(=O)N1 MCULE-9167752507 [0,0,0,1,0,0|2,0,0]=3 173 B11R1.497 O=C(O)C1CCCCC(C1)O MCULE-8775414897 [0,0,0,1,0,0|2,0,1]=4 174 B11R1.497 O=C1CCCCC(C1)C(=O)O MCULE-7646723801 [0,0,0,1,0,0|2,0,0]=3 175 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [0,0,0,1,0,0|2,0,0]=3 176 B11R1.497 O=C1CCSCC(N1)C(=O)O MCULE-1237852498 [0,0,0,1,0,0|1,0,0]=2 177 B11R1.740 O=C(O)CC1CC1CC(=O)O MCULE-8348402050 [0,0,0,1,0,0|1,0,0]=2 178 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [0,0,0,0,1,0|2,0,0]=3 179 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [0,0,0,0,1,0|2,0,0]=3 180 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [0,0,0,0,1,0|2,0,0]=3 181 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [0,0,0,0,1,0|2,0,1]=4 182 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [0,0,0,0,1,0|2,0,0]=3 183 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [0,0,0,0,1,0|1,0,0]=2 184 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [0,0,0,0,1,0|3,0,0]=4 185 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [0,0,0,0,1,0|2,0,0]=3 186 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [0,0,0,0,1,0|2,0,0]=3 187 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [0,0,0,0,1,0|2,0,0]=3 188 B9R0.55 CC(C)CCCCC(=O)O MCULE-9552597130 [0,0,0,0,1,0|2,0,1]=4 189 B9R0.55 CC(C)CCSCC(=O)O MCULE-6718693744 [0,0,0,0,1,0|2,0,1]=4 190 B9R0.55 CC(C)CSCCC(=O)O MCULE-9529480904 [0,0,0,0,1,0|2,0,1]=4 191 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [0,0,0,0,1,0|2,0,1]=4 192 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [0,0,0,0,1,0|2,0,1]=4 193 B9R0.55 CN(C)CCCCC(=O)O MCULE-9080305665 [0,0,0,0,1,0|3,0,0]=4 194 B9R0.55 CN(C)CCCCC(=O)O MCULE-9325797900 [0,0,0,0,1,0|3,0,0]=4 195 B9R0.55 CN(C)CCSCC(=O)O MCULE-5970767298 [0,0,0,0,1,0|3,0,0]=4 196 B9R0.55 CN(C)CCSCC(=O)O MCULE-6364036095 [0,0,0,0,1,0|3,0,0]=4 197 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [0,0,0,0,1,0|3,0,0]=4 198 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [0,0,0,0,1,0|2,0,0]=3 199 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [0,0,0,0,1,0|1,0,0]=2 200 B9R0.55 NC(=O)CCNCC(=O)N MCULE-5287507547 [0,0,0,0,1,0|3,0,0]=4 201 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [0,0,0,0,1,0|1,0,0]=2 202 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [0,0,0,0,1,0|2,0,0]=3 203 B9R0.55 O=C(Cl)CCCCC(=O)Cl MCULE-9846069486 [0,0,0,0,1,0|2,0,0]=3 204 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [0,0,0,0,1,0|0,0,2]=3 205 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [0,0,0,0,1,0|0,0,2]=3 206 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [0,0,0,0,1,0|0,0,2]=3 207 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [0,0,0,0,1,0|0,0,2]=3 208 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [0,0,0,0,1,0|0,0,0]=1 209 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [0,0,0,0,1,0|0,0,0]=1 210 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [0,0,0,0,1,0|0,0,0]=1 211 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [0,0,0,0,1,0|0,0,0]=1 212 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [0,0,0,0,1,0|0,0,0]=1 213 B9R0.55 O=C(O)CCCCC(F)F MCULE-4491962830 [0,0,0,0,1,0|2,0,1]=4 214 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [0,0,0,0,1,0|2,0,0]=3 215 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [0,0,0,0,1,0|1,0,0]=2 216 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [0,0,0,0,1,0|1,0,0]=2 217 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [0,0,0,0,1,0|0,0,1]=2 218 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [0,0,0,0,1,0|0,0,1]=2 219 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [0,0,0,0,1,0|0,0,1]=2 220 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-3830406639 [0,0,0,0,1,0|0,0,2]=3 221 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-8364635624 [0,0,0,0,1,0|0,0,2]=3 222 B11R0.30 C=C(Br)CCCCCCC(=O)O MCULE-6895852201 [0,0,0,0,0,1|3,0,0]=4 223 B11R0.30 C=C(C)CCCCCCC(=O)O MCULE-4818988928 [0,0,0,0,0,1|3,0,0]=4 224 B11R0.30 C=C(Cl)CCCCCCC(=O)O MCULE-6082663554 [0,0,0,0,0,1|3,0,0]=4 225 B11R0.30 CC(=O)CCCCCCC(=O)C MCULE-3854362746 [0,0,0,0,0,1|3,0,0]=4 226 B11R0.30 CC(=O)CCCCCCC(=O)O MCULE-6390414263 [0,0,0,0,0,1|2,0,0]=3 227 B11R0.30 CC(=O)NCCCCCC(=O)Cl MCULE-3079585004 [0,0,0,0,0,1|3,0,0]=4 228 B11R0.30 CC(=O)NCCCCCC(=O)O MCULE-2324288602 [0,0,0,0,0,1|2,0,0]=3 229 B11R0.30 CC(=O)SCCCCCC(=O)O MCULE-7058924302 [0,0,0,0,0,1|2,0,0]=3 230 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [0,0,0,0,0,1|2,0,1]=4 231 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-3719990664 [0,0,0,0,0,1|3,0,0]=4 232 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-6681139380 [0,0,0,0,0,1|3,0,0]=4 233 B11R0.30 NC(=O)CCSSCCC(=O)N MCULE-5939885983 [0,0,0,0,0,1|2,0,0]=3 234 B11R0.30 NC(=O)NCCCCCC(=O)O MCULE-5723327422 [0,0,0,0,0,1|2,0,0]=3 235 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl MCULE-1634153909 [0,0,0,0,0,1|3,0,0]=4 236 B11R0.30 O=C(O)CC/C=C/CCC(=O)O MCULE-1948311077 [0,0,0,0,0,1|1,0,0]=2 237 B11R0.30 O=C(O)CCC=CCCC(=O)O MCULE-2875946233 [0,0,0,0,0,1|1,0,0]=2 238 B11R0.30 O=C(O)CCCCCCC(=O)O MCULE-1380155289 [0,0,0,0,0,1|1,0,0]=2 239 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2095125616 [0,0,0,0,0,1|1,0,0]=2 240 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2375984351 [0,0,0,0,0,1|1,0,0]=2 241 B11R0.30 O=C(O)CCCNCCC(=O)O MCULE-6189914759 [0,0,0,0,0,1|1,0,0]=2 242 B11R0.30 O=C(O)CCCNCCC(=O)O MCULE-8504773832 [0,0,0,0,0,1|1,0,0]=2 243 B11R0.30 O=C(O)CCSSCCC(=O)O MCULE-3923810057 [0,0,0,0,0,1|0,0,0]=1 244 B11R0.30 O=C(O)CNCCNCC(=O)O MCULE-1432102503 [0,0,0,0,0,1|2,0,0]=3 245 B11R0.30 O=C(O)COCCOCC(=O)O MCULE-8327328188 [0,0,0,0,0,1|2,0,0]=3 246 B11R0.30 O=C(O)CSCCSCC(=O)O MCULE-2894370528 [0,0,0,0,0,1|2,0,0]=3 247 B8R0.4 C=CCCCCCC=O MCULE-9514877352 [2,0,0,0,0,0|2,0,0]=4 248 B8R0.4 O=CCCCCCC=O MCULE-7016999051 [2,0,0,0,0,0|1,0,0]=3 249 B8R0.4 OCCCSCCCO MCULE-2025331376 [2,0,0,0,0,0|0,0,2]=4 250 B8R0.7 C#CCCCCC(=O)O MCULE-5828767633 [2,0,0,0,0,0|1,0,1]=4 251 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [2,0,0,0,0,0|2,0,0]=4 252 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [2,0,0,0,0,0|1,0,0]=3 253 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [2,0,0,0,0,0|2,0,0]=4 254 B8R0.7 C=CCCOCC(=O)O MCULE-8626594933 [2,0,0,0,0,0|1,1,0]=4 255 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [2,0,0,0,0,0|0,1,1]=4 256 B8R0.7 CC(=O)CCCOC=O MCULE-7473574321 [2,0,0,0,0,0|2,0,0]=4 257 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [2,0,0,0,0,0|1,0,1]=4 258 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [2,0,0,0,0,0|1,0,1]=4 259 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [2,0,0,0,0,0|1,0,1]=4 260 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [2,0,0,0,0,0|1,0,1]=4 261 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [2,0,0,0,0,0|1,0,1]=4 262 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [2,0,0,0,0,0|0,1,1]=4 263 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [2,0,0,0,0,0|0,0,1]=3 264 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [2,0,0,0,0,0|2,0,0]=4 265 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [2,0,0,0,0,0|2,0,0]=4 266 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [2,0,0,0,0,0|2,0,0]=4 267 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [2,0,0,0,0,0|2,0,0]=4 268 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [2,0,0,0,0,0|2,0,0]=4 269 B8R0.7 N#CCCCCC(=O)O MCULE-1900756226 [2,0,0,0,0,0|1,0,1]=4 270 B8R0.7 NC(=O)CCCCCO MCULE-2654184294 [2,0,0,0,0,0|1,0,1]=4 271 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [2,0,0,0,0,0|1,0,1]=4 272 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [2,0,0,0,0,0|1,0,1]=4 273 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [2,0,0,0,0,0|2,0,0]=4 274 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [2,0,0,0,0,0|1,1,0]=4 275 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [2,0,0,0,0,0|1,1,0]=4 276 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [2,0,0,0,0,0|1,0,0]=3 277 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [2,0,0,0,0,0|2,0,0]=4 278 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [2,0,0,0,0,0|2,0,0]=4 279 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [2,0,0,0,0,0|1,0,1]=4 280 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [2,0,0,0,0,0|1,0,1]=4 281 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [2,0,0,0,0,0|1,0,1]=4 282 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [2,0,0,0,0,0|0,0,1]=3 283 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [2,0,0,0,0,0|0,1,1]=4 284 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [2,0,0,0,0,0|1,0,0]=3 285 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [2,0,0,0,0,0|1,1,0]=4 286 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [2,0,0,0,0,0|0,1,0]=3 287 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [2,0,0,0,0,0|0,2,0]=4 288 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [2,0,0,0,0,0|0,0,0]=2 289 B8R0.7 O=C([O-])CCCCCO MCULE-5897469112 [2,0,0,0,0,0|0,0,2]=4 290 B8R0.7 O=C([O-])CCCCCO MCULE-9397608140 [2,0,0,0,0,0|0,0,2]=4 291 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [2,0,0,0,0,0|0,0,0]=2 292 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [2,0,0,0,0,0|1,0,0]=3 293 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [1,1,0,0,0,0|2,0,0]=4 294 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [1,1,0,0,0,0|1,0,1]=4 295 B10R0.4 COCCCOCCC(=O)O MCULE-5178930362 [1,1,0,0,0,0|0,1,1]=4 296 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [1,1,0,0,0,0|1,0,1]=4 297 B10R0.4 O=CCCCCCCC(=O)O MCULE-3146118588 [1,1,0,0,0,0|1,0,0]=3 298 B10R0.4 O=CNCCCCCC(=O)O MCULE-1392572274 [1,1,0,0,0,0|1,0,0]=3 299 B10R0.74 COC(=O)CCCCCC=O MCULE-1071696685 [1,1,0,0,0,0|1,0,0]=3 300 B10R0.74 COC(=O)CCCCCCO MCULE-1234987175 [1,1,0,0,0,0|1,0,1]=4 301 B10R0.74 COC(=O)CCNCCCO MCULE-4138256366 [1,1,0,0,0,0|1,0,1]=4 302 B10R0.74 COC(=O)CCOCCCO MCULE-5017264772 [1,1,0,0,0,0|0,1,1]=4 303 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [1,1,0,0,0,0|2,0,0]=4 304 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [1,1,0,0,0,0|2,0,0]=4 305 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [1,1,0,0,0,0|2,0,0]=4 306 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [1,1,0,0,0,0|2,0,0]=4 307 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [1,1,0,0,0,0|2,0,0]=4 308 B10R0.75 C=CCSSC[C@H](N)C(=O)O MCULE-8012244687 [1,1,0,0,0,0|2,0,0]=4 309 B10R0.75 CCCCSC[C@@H](N)C(=O)O MCULE-8737283640 [1,1,0,0,0,0|1,0,1]=4 310 B10R0.75 CCCCSC[C@H](N)C(=O)O MCULE-5383064231 [1,1,0,0,0,0|1,0,1]=4 311 B10R0.75 COCCSCC(N)C(=O)O MCULE-1808987613 [1,1,0,0,0,0|2,0,0]=4 312 B10R0.75 N#CCCSCC(N)C(=O)O MCULE-3478080944 [1,1,0,0,0,0|1,0,1]=4 313 B10R0.75 NC(CCNCC=O)C(=O)O MCULE-6659524915 [1,1,0,0,0,0|2,0,0]=4 314 B10R0.75 NC(CSCCCO)C(=O)O MCULE-6250464318 [1,1,0,0,0,0|0,0,1]=3 315 B10R0.75 NCCCSC[C@H](N)C(=O)O MCULE-9670718396 [1,1,0,0,0,0|1,0,1]=4 316 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-1323141415 [1,1,0,0,0,0|0,0,1]=3 317 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-8256841743 [1,1,0,0,0,0|0,0,1]=3 318 B10R0.75 N[C@@H](CSSCCO)C(=O)O MCULE-7717227685 [1,1,0,0,0,0|1,0,1]=4 319 B10R0.78 O=CCCC(=O)CCC(=O)O MCULE-4413858827 [1,1,0,0,0,0|1,0,0]=3 320 B10R0.15 O=C(O)CCCCP(=O)(O)O MCULE-9230270330 [0,1,0,0,1,0|1,0,0]=3 321 B10R0.96 CC(=O)CC(=O)CCC(=O)O MCULE-6445854186 [0,1,0,0,1,0|1,0,1]=4 322 B10R0.96 CC(CCC(=O)O)CC(=O)O MCULE-7386549049 [0,1,0,0,1,0|0,0,0]=2 323 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-1721699813 [0,1,0,0,1,0|0,0,0]=2 324 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-7525360323 [0,1,0,0,1,0|0,0,0]=2 325 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-3003314518 [0,1,0,0,1,0|1,0,0]=3 326 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-7683510788 [0,1,0,0,1,0|1,0,0]=3 327 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8316748928 [0,1,0,0,1,0|1,0,0]=3 328 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8667775229 [0,1,0,0,1,0|1,0,0]=3 329 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-2836546299 [0,1,0,0,1,0|1,0,0]=3 330 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4298371176 [0,1,0,0,1,0|1,0,0]=3 331 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4441176096 [0,1,0,0,1,0|1,0,0]=3 332 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-5599562900 [0,1,0,0,1,0|1,0,0]=3 333 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8155260586 [0,1,0,0,1,0|0,0,0]=2 334 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8574900055 [0,1,0,0,1,0|0,0,0]=2 335 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-5068946859 [0,1,0,0,1,0|0,0,0]=2 336 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8151605170 [0,1,0,0,1,0|0,0,0]=2 337 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8505675120 [0,1,0,0,1,0|0,0,0]=2 338 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-9871725008 [0,1,0,0,1,0|0,0,0]=2 339 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-3923729315 [0,1,0,0,1,0|0,0,0]=2 340 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-6851763365 [0,1,0,0,1,0|0,0,0]=2 341 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,1,0,0,1,0|1,0,0]=3 342 B10R0.98 CC(=O)N(C)CCCC(=O)O MCULE-1764265267 [0,1,0,0,1,0|2,0,0]=4 343 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,1,0,0,1,0|2,0,0]=4 344 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,1,0,0,1,0|2,0,0]=4 345 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,1,0,0,1,0|2,0,0]=4 346 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,1,0,0,1,0|2,0,0]=4 347 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,1,0,0,1,0|2,0,0]=4 348 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,1,0,0,1,0|2,0,0]=4 349 B10R0.98 CC(CCCC(=O)Cl)C(=O)Cl MCULE-7532082954 [0,1,0,0,1,0|2,0,0]=4 350 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,1,0,0,1,0|0,0,0]=2 351 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,1,0,0,1,0|0,0,0]=2 352 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,1,0,0,1,0|0,0,0]=2 353 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,1,0,0,1,0|0,0,0]=2 354 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,1,0,0,1,0|0,0,0]=2 355 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,1,0,0,1,0|0,0,0]=2 356 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,1,0,0,1,0|0,0,0]=2 357 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,1,0,0,1,0|0,0,0]=2 358 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,1,0,0,1,0|0,0,0]=2 359 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,1,0,0,1,0|0,0,0]=2 360 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,1,0,0,1,0|0,0,1]=3 361 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,1,0,0,1,0|0,0,0]=2 362 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,1,0,0,1,0|0,0,0]=2 363 B10R0.98 O=C([O-])CCCC(O)C(=O)[O-] MCULE-7990606586 [0,1,0,0,1,0|0,0,2]=4 364 B12R0.42 CC(=O)C(C)CCCCCC(=O)O MCULE-9391199319 [0,1,0,0,0,1|2,0,0]=4 365 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-8560922815 [0,1,0,0,0,1|2,0,0]=4 366 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-9405826819 [0,1,0,0,0,1|2,0,0]=4 367 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-4363164306 [0,1,0,0,0,1|2,0,0]=4 368 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-7418953050 [0,1,0,0,0,1|2,0,0]=4 369 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O MCULE-2826730309 [0,1,0,0,0,1|2,0,0]=4 370 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2500699001 [0,1,0,0,0,1|2,0,0]=4 371 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2747158053 [0,1,0,0,0,1|2,0,0]=4 372 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8086021811 [0,1,0,0,0,1|2,0,0]=4 373 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-9503615061 [0,1,0,0,0,1|2,0,0]=4 374 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-5422005056 [0,1,0,0,0,1|2,0,0]=4 375 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-6598703304 [0,1,0,0,0,1|2,0,0]=4 376 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-6382139330 [0,1,0,0,0,1|2,0,0]=4 377 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-7025106309 [0,1,0,0,0,1|2,0,0]=4 378 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7636320216 [0,1,0,0,0,1|2,0,0]=4 379 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7719006708 [0,1,0,0,0,1|2,0,0]=4 380 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MCULE-7949829956 [0,1,0,0,0,1|1,0,0]=3 381 B12R0.42 NC(CSCCCC(=O)O)C(=O)O MCULE-6552348472 [0,1,0,0,0,1|0,0,0]=2 382 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-2069821066 [0,1,0,0,0,1|1,0,0]=3 383 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-3495032122 [0,1,0,0,0,1|1,0,0]=3 384 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-1221416102 [0,1,0,0,0,1|0,0,0]=2 385 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-2038684739 [0,1,0,0,0,1|0,0,0]=2 386 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-2692259414 [0,1,0,0,0,1|1,0,0]=3 387 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-6806526657 [0,1,0,0,0,1|1,0,0]=3 388 B12R0.42 O=C(O)CCCCCC(=O)C(=O)O MCULE-9194508818 [0,1,0,0,0,1|1,0,0]=3 389 B12R0.42 [C@@H](N)(CCCCNC(=O)C)C(=O)O MCULE-9387648281 [0,1,0,0,0,1|2,0,0]=4 390 B12R0.44 O=C(O)CCNC(=O)CCC(=O)O MCULE-3427480404 [0,1,0,0,0,1|1,0,0]=3 391 B12R0.184 C=CC(=O)NCCCCCC(=O)O MCULE-9666008928 [0,1,0,0,0,1|2,0,0]=4 392 B12R0.184 CCC(=O)CCCCCCC(=O)O MCULE-4717498477 [0,1,0,0,0,1|2,0,0]=4 393 B12R0.184 COC(=O)CCCCCCC(=O)Cl MCULE-8021290059 [0,1,0,0,0,1|2,0,0]=4 394 B12R0.184 COC(=O)CCCCCCC(=O)O MCULE-9793115364 [0,1,0,0,0,1|1,0,0]=3 395 B12R0.184 COC(=O)CCCCCOC(=O)C MCULE-6683368772 [0,1,0,0,0,1|2,0,0]=4 396 B12R0.184 O=C(O)CCCCCCC(=O)NO MCULE-8631395600 [0,1,0,0,0,1|1,0,0]=3 397 B12R0.184 O=C(O)CCCCCNC(=O)CCl MCULE-7503199226 [0,1,0,0,0,1|2,0,0]=4 398 B12R0.270 CC(=O)NCCC[C@@H](N)CC(=O)O MCULE-4886618146 [0,1,0,0,0,1|2,0,0]=4 399 B12R0.258 NC(CC(=O)O)C(=O)NCC(=O)O MCULE-3453286522 [0,2,0,0,0,0|2,0,0]=4 400 B12R0.258 N[C@@H](CC(=O)O)C(=O)NCC(=O)O MCULE-8017213724 [0,2,0,0,0,0|2,0,0]=4 401 B12R0.139 CC(NC(=O)CCC(=O)O)C(=O)O MCULE-3728027711 [0,2,0,0,0,0|2,0,0]=4 402 B12R0.139 NC(CC(=O)NCC(=O)O)C(=O)O MCULE-3722590501 [0,2,0,0,0,0|2,0,0]=4 403 B12R0.139 N[C@@H](CC(=O)NCC(=O)O)C(=O)O MCULE-5859277015 [0,2,0,0,0,0|2,0,0]=4 404 B12R0.238 CCC(NCCCC(=O)O)C(=O)O MCULE-4648933282 [0,2,0,0,0,0|2,0,0]=4 405 B12R0.238 CCC(NCCCC(=O)O)C(=O)O MCULE-8765195520 [0,2,0,0,0,0|2,0,0]=4 406 B12R0.264 NC(CCCCP(=O)(O)O)C(=O)O MCULE-4265556920 [0,2,0,0,0,0|2,0,0]=4 407 B12R0.264 [C@H](N)(CCCCP(=O)(O)O)C(=O)O MCULE-3135079588 [0,2,0,0,0,0|2,0,0]=4 408 B12R0.627 CC(CSCC(N)C(=O)O)C(=O)O MCULE-8019160796 [0,2,0,0,0,0|0,0,0]=2 409 B12R0.627 CC(CSC[C@H](N)C(=O)O)C(=O)O MCULE-1141812385 [0,2,0,0,0,0|0,0,0]=2 410 B12R0.627 CC(CSC[C@H](N)C(=O)O)C(=O)O MCULE-8490230025 [0,2,0,0,0,0|0,0,0]=2 411 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O MCULE-5199298661 [0,2,0,0,0,0|1,0,0]=3 412 B12R0.627 NC(CSCC(N)C(=O)O)C(=O)O MCULE-7420458378 [0,2,0,0,0,0|0,0,0]=2 413 B12R0.627 N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O MCULE-5816483960 [0,2,0,0,0,0|1,0,0]=3 414 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-1778670578 [0,2,0,0,0,0|1,0,0]=3 415 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-9178941791 [0,2,0,0,0,0|1,0,0]=3 416 B12R0.627 N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O MCULE-1932719723 [0,2,0,0,0,0|0,0,0]=2 417 B12R0.627 N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O MCULE-3341203729 [0,2,0,0,0,0|0,0,0]=2 418 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|0,1,0]=3 419 B12R0.692 O=C(O)CCCCC(F)(F)C(=O)O MCULE-1731217275 [0,2,0,0,0,0|1,0,0]=3 420 B12R0.189 COC(=O)CNC(=O)CCC(=O)O MCULE-2893632890 [0,2,0,0,0,0|2,0,0]=4 421 B12R0.388 O=C(O)CCP(=O)(O)CCC(=O)O MCULE-5797332263 [0,2,0,0,0,0|1,0,0]=3 422 B12R0.388 O=C(O)CCS(=O)(=O)CCC(=O)O MCULE-1391414537 [0,2,0,0,0,0|0,0,1]=3 423 B12R0.183 COC(=O)CCCCCC(=O)OC MCULE-4367657579 [0,2,0,0,0,0|1,0,0]=3 424 B12R0.183 COC(=O)CCNCCC(=O)OC MCULE-8864984762 [0,2,0,0,0,0|1,0,0]=3 425 B12R0.183 COC(=O)CCNCCC(=O)OC MCULE-9314655557 [0,2,0,0,0,0|1,0,0]=3 426 B12R0.183 COC(=O)CCSCCC(=O)OC MCULE-8773115535 [0,2,0,0,0,0|0,0,0]=2 427 B12R0.277 CCCC(=O)CCCCCC(=O)O MCULE-2592304646 [0,2,0,0,0,0|2,0,0]=4 428 B12R0.277 CCOC(=O)CCCCCC(=O)C MCULE-9869285908 [0,2,0,0,0,0|2,0,0]=4 429 B12R0.277 CCOC(=O)CCCCCC(=O)Cl MCULE-5720452434 [0,2,0,0,0,0|2,0,0]=4 430 B12R0.277 CCOC(=O)CCCCCC(=O)O MCULE-3615439341 [0,2,0,0,0,0|1,0,0]=3 431 B10R1.18 O=C(O)CC1C=CCCC1 MCULE-3207533436 [1,0,0,1,0,0|2,0,0]=4 432 B10R1.18 O=C(O)CC1CCCCO1 MCULE-2711682647 [1,0,0,1,0,0|1,0,1]=4 433 B10R1.18 O=C(O)CC1CSCCS1 MCULE-4793456872 [1,0,0,1,0,0|2,0,0]=4 434 B10R1.18 O=C(O)CC1OCCCO1 MCULE-1471723881 [1,0,0,1,0,0|0,1,1]=4 435 B10R1.39 O=C(O)C1CNCC1CO MCULE-4689035983 [1,0,0,1,0,0|1,0,1]=4 436 B10R1.39 O=CN1CCC[C@H]1C(=O)O MCULE-4414225416 [1,0,0,1,0,0|2,0,0]=4 437 B10R1.39 O=CN1CCC[C@H]1C(=O)O MCULE-8771289289 [1,0,0,1,0,0|2,0,0]=4 438 B10R1.61 CC(=O)C1CCCCC1=O MCULE-4487262627 [1,0,0,1,0,0|2,0,0]=4 439 B10R1.61 NC(=O)C1CCCCC1=O MCULE-4980594289 [1,0,0,1,0,0|2,0,0]=4 440 B10R1.61 NC(=O)C1CNCCC1=O MCULE-5445807694 [1,0,0,1,0,0|2,0,0]=4 441 B10R1.61 O=C(O)C1CCCCC1=O MCULE-1684765148 [1,0,0,1,0,0|1,0,0]=3 442 B10R1.61 O=C(O)C1CCCCC1O MCULE-4502285714 [1,0,0,1,0,0|1,0,1]=4 443 B10R1.61 O=C(O)C1CCCCN1O MCULE-1338694603 [1,0,0,1,0,0|2,0,0]=4 444 B10R1.61 O=C(O)C1CCCNC1=O MCULE-5733950200 [1,0,0,1,0,0|2,0,0]=4 445 B10R1.61 O=C(O)C1CNCCC1=O MCULE-3624462455 [1,0,0,1,0,0|1,0,0]=3 446 B10R1.61 O=C([O-])C1CCCCC1=O MCULE-2483955816 [1,0,0,1,0,0|1,0,1]=4 447 B10R1.64 O=C(Cl)CC1CCCC1=O MCULE-7029776897 [1,0,0,1,0,0|2,0,0]=4 448 B10R1.64 O=C(O)CC1CCCC1=O MCULE-9371811615 [1,0,0,1,0,0|1,0,0]=3 449 B10R1.64 O=C(O)CC1CCNC1=O MCULE-4096969007 [1,0,0,1,0,0|2,0,0]=4 450 B10R1.64 O=C(O)CN1CCCC1=O MCULE-3122232316 [1,0,0,1,0,0|2,0,0]=4 451 B10R1.66 O=C(O)CCC1CCCO1 MCULE-4111498968 [1,0,0,1,0,0|1,0,1]=4 452 B10R1.66 O=C(O)CCN1CCCO1 MCULE-4658280001 [1,0,0,1,0,0|1,0,1]=4 453 B10R1.66 O=C(O)CCN1CCCO1 MCULE-5549624995 [1,0,0,1,0,0|1,0,1]=4 454 B10R1.66 O=C(O)CC[C@@H]1CCCO1 MCULE-8942407071 [1,0,0,1,0,0|1,0,1]=4 455 B10R1.66 O=C(O)CC[C@H]1CCCO1 MCULE-8877470669 [1,0,0,1,0,0|1,0,1]=4 456 B10R1.77 O=C1CCCCCC(=O)C1 MCULE-5507646577 [1,0,0,1,0,0|2,0,0]=4 457 B10R1.77 O=C1CCCCCC(=O)O1 MCULE-4901663442 [1,0,0,1,0,0|1,0,0]=3 458 B10R1.126 O=C(O)CCSCC1CC1 MCULE-6245691771 [1,0,0,1,0,0|1,0,1]=4 459 B10R1.348 O=C(O)C1CNCCCO1 MCULE-2282415374 [1,0,0,1,0,0|1,0,1]=4 460 B10R1.348 O=C(O)C1CNCCCO1 MCULE-3064687044 [1,0,0,1,0,0|1,0,1]=4 461 B10R1.54 CC(=O)CC1CCC(=O)N1 MCULE-5590242632 [0,0,0,1,1,0|2,0,0]=4 462 B10R1.54 CC1CCC(O1)CC(=O)O MCULE-8857014749 [0,0,0,1,1,0|1,0,1]=4 463 B10R1.54 O=C(O)CC1=NC(=O)CS1 MCULE-1484851404 [0,0,0,1,1,0|1,0,1]=4 464 B10R1.54 O=C(O)CC1CCC(=O)C1 MCULE-8065311815 [0,0,0,1,1,0|1,0,0]=3 465 B10R1.54 O=C(O)CC1CCC(=O)N1 MCULE-4378271581 [0,0,0,1,1,0|1,0,0]=3 466 B10R1.54 O=C(O)CC1CCC(=O)O1 MCULE-3722776234 [0,0,0,1,1,0|0,0,0]=2 467 B10R1.54 O=C(O)CC1CCC(C1)O MCULE-1306554926 [0,0,0,1,1,0|1,0,1]=4 468 B10R1.54 O=C(O)CC1CNC(=O)C1 MCULE-1228415378 [0,0,0,1,1,0|2,0,0]=4 469 B10R1.54 O=C(O)CC1COC(=O)C1 MCULE-9024324984 [0,0,0,1,1,0|2,0,0]=4 470 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-1558139461 [0,0,0,1,1,0|2,0,0]=4 471 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-6202445610 [0,0,0,1,1,0|2,0,0]=4 472 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-2294433482 [0,0,0,1,1,0|1,0,0]=3 473 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-6637712682 [0,0,0,1,1,0|1,0,0]=3 474 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](C1)O MCULE-2394601749 [0,0,0,1,1,0|1,0,1]=4 475 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-1700675888 [0,0,0,1,1,0|1,0,0]=3 476 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-3179723751 [0,0,0,1,1,0|1,0,0]=3 477 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-1080082151 [0,0,0,1,1,0|1,0,0]=3 478 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-2947978966 [0,0,0,1,1,0|1,0,0]=3 479 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 MCULE-1807368276 [0,0,0,1,1,0|2,0,0]=4 480 B10R1.82 O=C(O)CCC1CC(=O)C1 MCULE-8509527472 [0,0,0,1,1,0|1,0,0]=3 481 B10R1.113 CC1CCCC(O1)C(=O)O MCULE-2545962496 [0,0,0,1,1,0|1,0,1]=4 482 B10R1.113 NC(=O)C1CCCC(=O)C1 MCULE-3502536681 [0,0,0,1,1,0|2,0,0]=4 483 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,0,0,1,1,0|1,0,1]=4 484 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,0,0,1,1,0|1,0,1]=4 485 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,0,0,1,1,0|1,0,1]=4 486 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,0,0,1,1,0|1,0,1]=4 487 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,0,0,1,1,0|1,0,1]=4 488 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,0,0,1,1,0|1,0,1]=4 489 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,0,0,1,1,0|1,0,1]=4 490 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,0,0,1,1,0|1,0,1]=4 491 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,0,0,1,1,0|1,0,1]=4 492 B10R1.113 O=C1C=C(CCC1)C(=O)O MCULE-6477437107 [0,0,0,1,1,0|1,0,1]=4 493 B10R1.113 O=C1CC(CCN1)C(=O)O MCULE-8037650535 [0,0,0,1,1,0|2,0,0]=4 494 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [0,0,0,1,1,0|1,0,0]=3 495 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [0,0,0,1,1,0|1,0,0]=3 496 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [0,0,0,1,1,0|1,0,0]=3 497 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [0,0,0,1,1,0|1,0,0]=3 498 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [0,0,0,1,1,0|1,0,0]=3 499 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [0,0,0,1,1,0|1,0,0]=3 500 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [0,0,0,1,1,0|1,0,0]=3 501 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [0,0,0,1,1,0|1,0,0]=3 502 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [0,0,0,1,1,0|1,0,0]=3 503 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [0,0,0,1,1,0|2,0,0]=4 504 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [0,0,0,1,1,0|2,0,0]=4 505 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [0,0,0,1,1,0|2,0,0]=4 506 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [0,0,0,1,1,0|2,0,0]=4 507 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [0,0,0,1,1,0|2,0,0]=4 508 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [0,0,0,1,1,0|2,0,0]=4 509 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [0,0,0,1,1,0|2,0,0]=4 510 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [0,0,0,1,1,0|2,0,0]=4 511 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [0,0,0,1,1,0|2,0,0]=4 512 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [0,0,0,1,1,0|1,0,0]=3 513 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [0,0,0,1,1,0|1,0,0]=3 514 B10R1.113 O=C1C[C@@H](CCN1)C(=O)O MCULE-5205458306 [0,0,0,1,1,0|2,0,0]=4 515 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-6254957663 [0,0,0,1,1,0|2,0,0]=4 516 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-9670666580 [0,0,0,1,1,0|2,0,0]=4 517 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [0,0,0,1,1,0|2,0,0]=4 518 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [0,0,0,1,1,0|2,0,0]=4 519 B10R1.113 O=C1NCCC(O1)C(=O)O MCULE-1272116406 [0,0,0,1,1,0|1,0,0]=3 520 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [0,0,0,1,1,0|2,0,0]=4 521 B10R1.128 O=C(O)C1CCCS1(=O)=O MCULE-6333477940 [0,0,0,1,1,0|1,0,1]=4 522 B10R1.361 CC(=O)N1CCC1C(=O)O MCULE-4216069349 [0,0,0,1,1,0|2,0,0]=4 523 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O MCULE-3086147567 [0,0,0,1,1,0|2,0,0]=4 524 B10R1.361 NC(=O)C1CCC1C(=O)O MCULE-3903818494 [0,0,0,1,1,0|1,0,0]=3 525 B10R1.361 NC(=O)[C@H]1CC[C@H]1C(=O)N MCULE-7732298882 [0,0,0,1,1,0|2,0,0]=4 526 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [0,0,0,1,1,0|0,0,0]=2 527 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [0,0,0,1,1,0|0,0,0]=2 528 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [0,0,0,1,1,0|0,0,0]=2 529 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [0,0,0,1,1,0|0,0,0]=2 530 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [0,0,0,1,1,0|0,0,0]=2 531 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [0,0,0,1,1,0|0,0,0]=2 532 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]=2 533 B12R1.226 O=C(O)CCC1CCCC(=O)N1 MCULE-3373923105 [0,0,0,1,0,1|2,0,0]=4 534 B12R1.226 O=C(O)CCN1CCNC(=O)C1 MCULE-1196913749 [0,0,0,1,0,1|2,0,0]=4 535 B12R1.261 CC(=O)N1CCCCC1C(=O)O MCULE-9909402121 [0,0,0,1,0,1|2,0,0]=4 536 B12R1.261 CC(=O)N1CCNCC1C(=O)O MCULE-8968360886 [0,0,0,1,0,1|2,0,0]=4 537 B12R1.261 CC(=O)N1CCOCC1C(=O)O MCULE-4489986949 [0,0,0,1,0,1|1,1,0]=4 538 B12R1.261 NC(=O)C1CCCCC1C(=O)O MCULE-3798252597 [0,0,0,1,0,1|2,0,0]=4 539 B12R1.261 NC(=O)N1CCCCC1C(=O)O MCULE-9551488406 [0,0,0,1,0,1|2,0,0]=4 540 B12R1.261 NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-9257976565 [0,0,0,1,0,1|2,0,0]=4 541 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-7178475126 [0,0,0,1,0,1|2,0,0]=4 542 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-8672445916 [0,0,0,1,0,1|2,0,0]=4 543 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-2394611865 [0,0,0,1,0,1|2,0,0]=4 544 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4597512342 [0,0,0,1,0,1|2,0,0]=4 545 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3656636765 [0,0,0,1,0,1|2,0,0]=4 546 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3887795119 [0,0,0,1,0,1|2,0,0]=4 547 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-4029989910 [0,0,0,1,0,1|2,0,0]=4 548 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-6704294440 [0,0,0,1,0,1|2,0,0]=4 549 B12R1.261 O=C(O)C1=C(CCCC1)C(=O)O MCULE-2633452606 [0,0,0,1,0,1|1,0,1]=4 550 B12R1.261 O=C(O)C1CC=CCC1C(=O)O MCULE-8208403883 [0,0,0,1,0,1|1,0,0]=3 551 B12R1.261 O=C(O)C1CCCCC1C(=O)O MCULE-3185409075 [0,0,0,1,0,1|1,0,0]=3 552 B12R1.261 O=C(O)C1CCCCN1C(=O)O MCULE-9397034021 [0,0,0,1,0,1|1,0,0]=3 553 B12R1.261 O=C(O)C1CCCNC1C(=O)O MCULE-3938002780 [0,0,0,1,0,1|1,0,0]=3 554 B12R1.261 O=C(O)C1CCCNC1C(=O)O MCULE-6316865811 [0,0,0,1,0,1|1,0,0]=3 555 B12R1.261 O=C(O)C1CCNCC1C(=O)O MCULE-6895708229 [0,0,0,1,0,1|1,0,0]=3 556 B12R1.261 O=C(O)C1CCNCC1C(=O)O MCULE-8118548559 [0,0,0,1,0,1|1,0,0]=3 557 B12R1.261 O=C(O)C1NCCNC1C(=O)O MCULE-5683104657 [0,0,0,1,0,1|2,0,0]=4 558 B12R1.261 O=C(O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-3658680121 [0,0,0,1,0,1|1,0,0]=3 559 B12R1.261 O=C(O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-5277132939 [0,0,0,1,0,1|1,0,0]=3 560 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4895515726 [0,0,0,1,0,1|1,0,0]=3 561 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4906980900 [0,0,0,1,0,1|1,0,0]=3 562 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-7747323415 [0,0,0,1,0,1|1,0,0]=3 563 B12R1.261 O=C(O)[C@@H]1NCCN[C@H]1C(=O)O MCULE-1130925107 [0,0,0,1,0,1|2,0,0]=4 564 B12R1.261 O=C(O)[C@H]1CC=CC[C@H]1C(=O)O MCULE-7062667000 [0,0,0,1,0,1|1,0,0]=3 565 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-1184405040 [0,0,0,1,0,1|1,0,0]=3 566 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3346909877 [0,0,0,1,0,1|1,0,0]=3 567 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O MCULE-9506589203 [0,0,0,1,0,1|1,0,0]=3 568 B12R1.261 O=C(O)[C@H]1CCCN[C@H]1C(=O)O MCULE-4882537337 [0,0,0,1,0,1|1,0,0]=3 569 B12R1.261 O=C(O)[C@H]1CCCN[C@H]1C(=O)O MCULE-6755541512 [0,0,0,1,0,1|1,0,0]=3 570 B12R1.261 O=C(O)[C@H]1NCCC[C@H]1C(=O)O MCULE-3174459162 [0,0,0,1,0,1|1,0,0]=3 571 B12R1.261 O=C(O)[C@H]1NCCC[C@H]1C(=O)O MCULE-5812717043 [0,0,0,1,0,1|1,0,0]=3 572 B12R1.392 O=C(O)CN1CCCC1C(=O)O MCULE-3986378820 [0,0,0,1,0,1|1,0,0]=3 573 B12R1.874 O=C(O)CC1CCCCC(=O)N1 MCULE-9763824152 [0,0,0,1,0,1|2,0,0]=4 574 B12R1.874 O=C(O)CC1CCCNC(=O)C1 MCULE-2622321919 [0,0,0,1,0,1|2,0,0]=4 575 B12R1.1011 O=C1CCCCCC(C1)C(=O)O MCULE-3072060660 [0,0,0,1,0,1|2,0,0]=4 576 B12R1.258 NC(=O)C1CCCC(C1)C(=O)O MCULE-2730743019 [0,1,0,1,0,0|2,0,0]=4 577 B12R1.258 NC(=O)C1CCC[C@@H](C1)C(=O)O MCULE-6377571763 [0,1,0,1,0,0|2,0,0]=4 578 B12R1.258 O=C(O)C1=CSCC(N1)C(=O)O MCULE-3571330151 [0,1,0,1,0,0|0,0,2]=4 579 B12R1.258 O=C(O)C1CCCC(C1)C(=O)O MCULE-7196171464 [0,1,0,1,0,0|1,0,0]=3 580 B12R1.258 O=C(O)C1CCCC(N1)C(=O)O MCULE-1816268674 [0,1,0,1,0,0|1,0,0]=3 581 B12R1.258 O=C(O)C1CCNC(C1)C(=O)O MCULE-5359047625 [0,1,0,1,0,0|2,0,0]=4 582 B12R1.258 O=C(O)C1CNCC(C1)C(=O)O MCULE-2177789382 [0,1,0,1,0,0|1,0,0]=3 583 B12R1.258 O=C(O)[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-3140137492 [0,1,0,1,0,0|1,0,0]=3 584 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C1)C(=O)O MCULE-4449782615 [0,1,0,1,0,0|1,0,0]=3 585 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C1)C(=O)O MCULE-8158708245 [0,1,0,1,0,0|1,0,0]=3 586 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]=3 587 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2075996893 [0,1,0,1,0,0|1,0,0]=3 588 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2751748723 [0,1,0,1,0,0|1,0,0]=3 589 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-9442455281 [0,1,0,1,0,0|1,0,0]=3 590 B12R1.258 O=C(O)[C@H]1CCC[C@H](C1)C(=O)O MCULE-3306746591 [0,1,0,1,0,0|1,0,0]=3 591 B12R1.258 O=C(O)[C@H]1CCN[C@H](C1)C(=O)O MCULE-6924240838 [0,1,0,1,0,0|2,0,0]=4 592 B12R1.2709 CC1(CCCCC(=O)N1)C(=O)O MCULE-4375736331 [0,1,0,1,0,0|2,0,0]=4 593 B12R1.21 O=C(O)CCC1=NNC(=O)CC1 MCULE-7763668133 [0,1,0,1,0,0|2,0,0]=4 594 B12R1.21 O=C(O)CCC1CCC(=O)CC1 MCULE-5805639266 [0,1,0,1,0,0|2,0,0]=4 595 B12R1.21 O=C(O)CCC1CCC(=O)NC1 MCULE-4463958596 [0,1,0,1,0,0|2,0,0]=4 596 B12R1.21 O=C(O)CCN1CCC(=O)CC1 MCULE-3345805432 [0,1,0,1,0,0|2,0,0]=4 597 B12R1.850 CC1CC(C(C1)C(=O)O)C(=O)O MCULE-5449345895 [0,1,0,1,0,0|1,0,0]=3 598 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]=3 599 B12R1.850 O=C(O)[C@@H]1C[C@@H](CN1C(=O)O)Cl MCULE-4142014126 [0,1,0,1,0,0|2,0,0]=4 600 B12R1.850 O=C1CC(C(C1)C(=O)O)C(=O)O MCULE-4393869476 [0,1,0,1,0,0|1,0,0]=3 601 B12R1.850 O=C1CC(C(O1)C(=O)O)C(=O)O MCULE-6848457652 [0,1,0,1,0,0|2,0,0]=4 602 B12R1.850 O=C1CC([C@@H](C1)C(=O)O)C(=O)O MCULE-9478964359 [0,1,0,1,0,0|1,0,0]=3 603 B12R1.3799 CC1(CCC(=O)N1)CCC(=O)O MCULE-8613144351 [0,1,0,1,0,0|2,0,0]=4 604 B12R1.50 COC(=O)CC1CC(=O)CCO1 MCULE-6097920602 [0,1,0,1,0,0|1,1,0]=4 605 B12R1.50 COC(=O)CC1CCCC(=O)C1 MCULE-1248399119 [0,1,0,1,0,0|2,0,0]=4 606 B12R1.368 COC(=O)C1CCCC1C(=O)O MCULE-9581431032 [0,1,0,1,0,0|1,0,0]=3 607 B12R1.368 COC(=O)C1CCOC1C(=O)O MCULE-9344196403 [0,1,0,1,0,0|2,0,0]=4 608 B12R1.368 COC(=O)N1CCCC1C(=O)O MCULE-6437652218 [0,1,0,1,0,0|2,0,0]=4 609 B12R1.368 COC(=O)N1CCC[C@H]1C(=O)O MCULE-6677449749 [0,1,0,1,0,0|2,0,0]=4 610 B12R1.368 COC(=O)[C@@H]1CCC[C@H]1C(=O)O MCULE-3708284379 [0,1,0,1,0,0|1,0,0]=3 611 B12R1.368 COC(=O)[C@@H]1CCC[C@H]1C(=O)O MCULE-7207251404 [0,1,0,1,0,0|1,0,0]=3 612 B12R1.368 COC(=O)[C@H]1CCC[C@@H]1C(=O)O MCULE-2395296422 [0,1,0,1,0,0|1,0,0]=3 613 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O MCULE-1837515410 [0,1,0,1,0,0|1,0,0]=3 614 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O MCULE-4611068546 [0,1,0,1,0,0|1,0,0]=3 615 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O MCULE-7157008551 [0,1,0,1,0,0|1,0,0]=3 616 B12R1.1657 COC(=O)C1CCCCC(=O)C1 MCULE-4513192027 [0,1,0,1,0,0|2,0,0]=4 617 B12R2.1145 O=C(O)C1CC2CC(=O)C1C2 MCULE-9601771232 [0,0,0,2,0,0|2,0,0]=4 618 B12R2.1145 O=C(O)C1CC2CC1C(=O)O2 MCULE-4878928430 [0,0,0,2,0,0|1,0,0]=3 619 B12R2.1145 O=C(O)C1C[C@H]2CC(=O)[C@@H]1C2 MCULE-8622443304 [0,0,0,2,0,0|2,0,0]=4 620 B12R2.1145 [C@@H]12C[C@H]([C@@H](C1)C(=O)O2)C(=O)O MCULE-2764304664 [0,0,0,2,0,0|1,0,0]=3 621 B12R2.1168 O=C1CCC2(O1)CCC(=O)O2 MCULE-3516974672 [0,0,0,2,0,0|1,0,0]=3 622 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,0,0,0,2,0|2,0,0]=4 623 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,2,0|2,0,0]=4 624 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,0,0,0,2,0|2,0,0]=4 625 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,0,0,0,2,0|2,0,0]=4 626 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,0,0,2,0|2,0,0]=4 627 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,2,0|1,0,0]=3 628 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,2,0|2,0,0]=4 629 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,2,0|1,1,0]=4 630 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,0,0,0,2,0|2,0,0]=4 631 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,2,0|1,0,0]=3 632 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,0,0,2,0|1,0,1]=4 633 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,0,0,0,2,0|2,0,0]=4 634 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,0,0,0,2,0|2,0,0]=4 635 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,0,0,0,2,0|2,0,0]=4 636 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,0,0,2,0|1,0,0]=3 637 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,2,0|2,0,0]=4 638 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,0,0,2,0|1,1,0]=4 639 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [0,0,0,0,2,0|2,0,0]=4 640 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,0,0,2,0|1,0,0]=3 641 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,2,0|2,0,0]=4 642 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,0,0,0,2,0|1,1,0]=4 643 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,0,0,0,2,0|2,0,0]=4 644 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,0,0,0,2,0|0,0,2]=4 645 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,0,0,0,2,0|0,0,2]=4 646 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,0,0,2,0|0,0,0]=2 647 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,0,0,0,2,0|1,0,1]=4 648 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,0,0,2,0|1,0,0]=3 649 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,0,0,2,0|0,1,0]=3 650 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,0,0,2,0|0,0,0]=2 651 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,0,0,0,2,0|0,0,2]=4 652 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,0,0,2,0|0,1,1]=4 653 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,0,0,2,0|0,1,1]=4 654 B12R0.268 CC(=O)CCCCCC=CC(=O)O MCULE-5335097568 [0,0,0,0,0,2|2,0,0]=4 655 B12R0.268 CC(=O)CCCCCCCC(=O)O MCULE-5299092348 [0,0,0,0,0,2|2,0,0]=4 656 B12R0.268 CC(=O)NCCSCCNC(=O)C MCULE-1077829614 [0,0,0,0,0,2|2,0,0]=4 657 B12R0.268 NC(=O)CCCCCCCC(=O)O MCULE-3125592334 [0,0,0,0,0,2|2,0,0]=4 658 B12R0.268 O=C(O)CCCCCCCC(=O)O MCULE-4093240509 [0,0,0,0,0,2|1,0,0]=3 659 B12R0.268 O=C(O)CCCCNCCC(=O)O MCULE-2001162043 [0,0,0,0,0,2|1,0,0]=3 660 B12R0.268 O=C(O)CCCCNCCC(=O)O MCULE-8676764057 [0,0,0,0,0,2|1,0,0]=3 661 B12R0.268 O=C(O)CCCNCCCC(=O)O MCULE-1624663865 [0,0,0,0,0,2|1,0,0]=3 662 B12R0.268 O=C(O)CCCOCCCC(=O)O MCULE-5250506996 [0,0,0,0,0,2|0,1,0]=3 663 B12R0.268 O=C(O)CCSCSCCC(=O)O MCULE-5771159784 [0,0,0,0,0,2|0,0,0]=2 664 B12R0.268 O=C(O)CNCCCNCC(=O)O MCULE-7974649276 [0,0,0,0,0,2|1,0,0]=3 665 B12R0.268 O=C(O)CSCCCSCC(=O)O MCULE-6412986208 [0,0,0,0,0,2|1,0,0]=3