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NC(CCC(=O)O)C(=O)O Z57127545 [1,0,0,0,0,0|2,0,0]=3 16 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [1,0,0,0,0,0|2,0,0]=3 17 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.56 CC(C)(C)CCCC(=O)O Z819995404 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.56 CC(O)CCCS(=O)(=O)C Z854048832 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [1,0,0,0,0,0|1,0,0]=2 21 B9R0.56 CS(=O)(=O)NCCC(=O)O Z45674355 [1,0,0,0,0,0|2,0,0]=3 22 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [1,0,0,0,0,0|1,0,1]=3 23 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [1,0,0,0,0,0|3,0,0]=4 24 B11R0.290 COC(=O)C(N)CCC(C)(F)F Z5183298762 [0,1,0,0,0,0|3,0,0]=4 25 B11R0.290 COC(=O)C(N)CCS(=O)(=O)N Z2941405023 [0,1,0,0,0,0|1,0,1]=3 26 B11R0.302 CCS(=O)(=O)NC[C@H](O)C(=O)O Z1738571159 [0,1,0,0,0,0|3,0,0]=4 27 B11R0.308 CC(C)(C)CC(O)C(N)C(=O)O Z2211231805 [0,1,0,0,0,0|3,0,0]=4 28 B11R0.313 COC(CCS(=O)(=O)C)C(=O)O Z3378119883 [0,1,0,0,0,0|2,0,0]=3 29 B11R0.429 CC(C)(C)CCC(C)(N)C(=O)O Z2028214444 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.707 CS(=O)(=O)N1CC(C1)C(=O)O Z1201628846 [0,0,0,1,0,0|3,0,0]=4 31 B11R1.707 CS(=O)(=O)[C@H]1C[C@H](C1)C(=O)O Z2944218661 [0,0,0,1,0,0|2,0,0]=3 32 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 Z826527398 [0,0,0,1,0,0|2,0,0]=3 33 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Z3353488989 [0,0,0,1,0,0|1,0,0]=2 34 B11R1.1106 NC(C(=O)O)C1CC(C1)(F)F Z3153436580 [0,0,0,1,0,0|3,0,0]=4 35 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,0,0,0,1,0|3,0,0]=4 36 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,0,0,0,1,0|3,0,0]=4 37 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [0,0,0,0,1,0|2,0,0]=3 38 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [0,0,0,0,1,0|3,0,0]=4 39 B9R0.57 CC(NS(=O)(=O)C)C(=O)O Z45674775 [0,0,0,0,1,0|3,0,0]=4 40 B9R0.57 C[C@H](NS(=O)(=O)C)C(=O)O Z115596342 [0,0,0,0,1,0|3,0,0]=4 41 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,0,0,0,1,0|2,0,0]=3 42 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Z1198232967 [0,0,0,0,1,0|3,0,0]=4 43 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.8 CCCCC(C)C(=O)O Z756390480 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.8 CCCCC(N)C(=O)O Z57127434 [2,0,0,0,0,0|1,0,0]=3 48 B8R0.8 CCCCC(O)C(=O)O Z803065156 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [2,0,0,0,0,0|1,0,0]=3 50 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [2,0,0,0,0,0|2,0,0]=4 52 B8R0.8 COCCC(C)C(=O)O Z756390554 [2,0,0,0,0,0|1,1,0]=4 53 B8R0.8 COCCC(N)C(=O)O Z317025018 [2,0,0,0,0,0|0,1,0]=3 54 B8R0.8 CSCCC(N)C(=O)O Z57127440 [2,0,0,0,0,0|0,0,1]=3 55 B8R0.8 CSCCC(O)C(=O)O Z788000926 [2,0,0,0,0,0|1,0,1]=4 56 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [2,0,0,0,0,0|0,0,1]=3 57 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [2,0,0,0,0,0|0,0,1]=3 58 B8R0.8 NCCCC(N)C(=O)O Z104476736 [2,0,0,0,0,0|1,0,1]=4 59 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [2,0,0,0,0,0|1,0,1]=4 60 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [2,0,0,0,0,0|1,0,1]=4 61 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [2,0,0,0,0,0|0,1,1]=4 62 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [2,0,0,0,0,0|1,0,0]=3 63 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [2,0,0,0,0,0|2,0,0]=4 64 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [2,0,0,0,0,0|2,0,0]=4 65 B8R0.28 CC(C)CCCC(=O)O Z426022098 [2,0,0,0,0,0|2,0,0]=4 66 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [2,0,0,0,0,0|1,0,1]=4 67 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [2,0,0,0,0,0|1,0,1]=4 68 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [2,0,0,0,0,0|2,0,0]=4 69 B8R0.29 CC(N)CCS(=O)(=O)C Z992990700 [2,0,0,0,0,0|1,0,1]=4 70 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Z1255406328 [1,1,0,0,0,0|2,0,0]=4 71 B10R0.43 CC(C)CCC(C)(N)C(=O)O Z398557150 [1,1,0,0,0,0|2,0,0]=4 72 B10R0.57 COC(=O)C(N)CCC(=O)N Z3251990215 [1,1,0,0,0,0|1,0,1]=4 73 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [1,1,0,0,0,0|1,0,0]=3 74 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [1,1,0,0,0,0|1,0,0]=3 75 B10R0.31 CS(=O)(=O)C[C@H](O)CC(=O)O Z3271509641 [1,1,0,0,0,0|1,0,0]=3 76 B10R0.60 COC(=O)CCCS(=O)(=O)N Z734460660 [1,1,0,0,0,0|1,0,1]=4 77 B10R0.65 CCS(=O)(=O)NCCC(=O)O Z53825543 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Z4433641075 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.365 CC1(CCC1(N)C(=O)O)C Z5783123373 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [1,0,0,1,0,0|1,0,1]=4 90 B10R1.26 O=CC1CCS(=O)(=O)CC1 Z1255416808 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.238 CC1(CCS(=O)(=O)C1)C=O Z2301248237 [1,0,0,1,0,0|2,0,0]=4 92 B10R1.238 NC1(CCS(=O)(=O)C1)CO Z4075023754 [1,0,0,1,0,0|1,0,1]=4 93 B10R1.371 O=C(O)CC1CS(=O)(=O)C1 Z1551962059 [1,0,0,1,0,0|1,0,0]=3 94 B12R1.254 CS(=O)(=O)N1CCC(C1)C(=O)O Z1078659258 [0,0,0,1,0,1|2,0,0]=4 95 B12R1.254 CS(=O)(=O)[C@H]1CN[C@@H](C1)C(=O)O Z3925936147 [0,0,0,1,0,1|2,0,0]=4 96 B12R1.1381 CS(=O)(=O)N[C@H]1C[C@H](C1)C(=O)O Z2438057408 [0,0,0,1,0,1|2,0,0]=4 97 B12R1.2203 NC(C(=O)O)C1CCS(=O)(=O)C1 Z4602860434 [0,0,0,1,0,1|1,0,0]=3 98 B12R1.3097 NC1(CCCS(=O)(=O)C1)C(=O)O Z2216303132 [0,0,0,1,0,1|1,0,0]=3 99 B12R1.1819 N=S1(=O)CCN(CC1)CC(=O)O Z4606877606 [0,0,0,1,0,1|2,0,0]=4 100 B12R1.1819 O=C(O)CC1CCS(=O)(=O)CC1 Z826527100 [0,0,0,1,0,1|2,0,0]=4 101 B12R1.1831 NC1(CCS(=O)(=O)C1)CC(=O)O Z2238510843 [0,0,0,1,0,1|1,0,0]=3 102 B12R1.1274 CC1CC(CCS1(=O)=O)C(=O)O Z3073159106 [0,1,0,1,0,0|2,0,0]=4 103 B12R1.1704 COC(=O)C1CCS(=N)(=O)CC1 Z3013890418 [0,1,0,1,0,0|1,0,0]=3 104 B12R1.1704 COC(=O)C1CCS(=O)(=O)CN1 Z3624634519 [0,1,0,1,0,0|1,0,0]=3 105 B12R1.1737 COC(=O)C1(CCS(=O)(=O)C1)N Z3727505851 [0,1,0,1,0,0|1,0,0]=3 106 B12R1.3088 NC(=O)C1(CCS(=O)(=O)CC1)N Z826527226 [0,1,0,1,0,0|2,0,0]=4 107 B12R1.3088 NC1(CCS(=O)(=O)CC1)C(=O)O Z826527348 [0,1,0,1,0,0|1,0,0]=3 108 B12R1.2447 COC1(CCS(=O)(=O)C1)C(=O)O Z1723746101 [0,1,0,1,0,0|2,0,0]=4 109 B12R2.3063 O=C(O)[C@]12C[C@H]1CS(=O)(=O)C2 Z6037679956 [0,0,0,2,0,0|2,0,0]=4 110 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [1,0,0,0,1,0|2,0,0]=4 111 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [1,0,0,0,1,0|2,0,0]=4 112 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [1,0,0,0,1,0|2,0,0]=4 113 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [1,0,0,0,1,0|2,0,0]=4 114 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [1,0,0,0,1,0|1,0,1]=4 115 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [1,0,0,0,1,0|1,0,1]=4 116 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [1,0,0,0,1,0|1,0,1]=4 117 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [1,0,0,0,1,0|1,0,1]=4 118 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [1,0,0,0,1,0|2,0,0]=4 119 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [1,0,0,0,1,0|2,0,0]=4 120 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [1,0,0,0,1,0|2,0,0]=4 121 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,0,0,0,2,0|2,0,0]=4 122 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [1,0,0,0,0,1|2,0,0]=4 123 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [1,0,0,0,0,1|2,0,0]=4 124 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [1,0,0,0,0,1|2,0,0]=4 125 B10R0.15 CS(=O)(=O)NCCCC(=O)[O-] Z415727988 [1,0,0,0,0,1|1,0,1]=4