0 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.7 CC(C)C(N)CCC(=O)O Z4607148563 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.7 CC(CCC(=O)O)N(C)C Z2732402258 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,0,0,0,0,0|2,0,0]=2 9 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.7 NC(CCC(=O)O)C(F)F Z2733335696 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,0,0,0,0,0|1,0,0]=1 12 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,0,0,0,0,0|1,0,0]=1 13 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.8 NCCCC(N)C(=O)O Z104476736 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [1,0,0,0,0,0|1,0,0]=2 31 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [1,0,0,0,0,0|1,0,1]=3 32 B8R0.9 CCC(C)CCC(=O)O Z955111774 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.9 COC(C)CCC(=O)O Z963595334 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.9 CSC(C)CCC(=O)O Z963595804 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [1,0,0,0,0,0|1,0,2]=4 36 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [1,0,0,0,0,0|0,0,1]=2 37 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,0,0,0,0,0|2,0,0]=3 41 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,0,0,0,0,0|1,0,1]=3 44 B8R0.28 CC(N)COCC(=O)O Z3789755599 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,0,0,0,0,0|0,0,0]=1 48 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [1,0,0,0,0,0|1,0,0]=2 50 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [1,0,0,0,0,0|1,0,0]=2 51 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,0,0,0,0,0|1,0,0]=2 52 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,0|1,0,0]=2 53 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,0,0,0,0,0|2,0,0]=3 56 B10R0.12 NC(CCC(=O)O)C(F)(F)F Z2942397371 [0,1,0,0,0,0|2,0,1]=4 57 B10R0.43 CC(=O)C(C)(C)CCC(=O)O Z1262511309 [0,1,0,0,0,0|2,0,0]=3 58 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Z1255406328 [0,1,0,0,0,0|3,0,0]=4 59 B10R0.43 CC(=O)CCC(F)(F)C(=O)[O-] Z3824931634 [0,1,0,0,0,0|3,0,0]=4 60 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Z1255464958 [0,1,0,0,0,0|2,0,0]=3 61 B10R0.43 CC(C)(SCC(=O)O)C(=O)O Z1251354570 [0,1,0,0,0,0|3,0,0]=4 62 B10R0.57 COC(=O)C(N)CCC(=O)N Z3251990215 [0,1,0,0,0,0|2,0,0]=3 63 B10R0.82 C=C(CCC(=O)OC)C(=O)O Z1262513566 [0,1,0,0,0,0|2,0,1]=4 64 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,1,0,0,0,0|1,0,0]=2 65 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,1,0,0,0,0|1,0,0]=2 66 B10R0.92 CC(C)(C)CCC(N)C(=O)N Z1889917254 [0,1,0,0,0,0|2,0,1]=4 67 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,1,0,0,0,0|2,0,0]=3 68 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N Z425449706 [0,1,0,0,0,0|1,0,1]=3 69 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,1,0,0,0,0|2,0,1]=4 70 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Z3444602422 [0,1,0,0,0,0|1,0,1]=3 71 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Z1255485193 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.13 NC(=O)C1CCC(=O)NC1 Z458890528 [0,0,0,1,0,0|2,0,0]=3 73 B10R1.13 NC(=O)C1CCC(CC1)O Z935127666 [0,0,0,1,0,0|2,0,1]=4 74 B10R1.13 NC(=O)C1CNC(=O)CN1 Z3282082973 [0,0,0,1,0,0|2,0,0]=3 75 B10R1.13 NC(=O)N1CCC(=O)CC1 Z203241936 [0,0,0,1,0,0|3,0,0]=4 76 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,0,0,1,0,0|2,0,1]=4 77 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,0,0,1,0,0|3,0,0]=4 78 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,0,0,1,0,0|3,0,0]=4 79 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,0,0,1,0,0|3,0,0]=4 80 B10R1.58 CN1CC(CC1=O)C(=O)O Z57472350 [0,0,0,1,0,0|3,0,0]=4 81 B10R1.58 CN1CC(NC1=O)C(=O)O Z1203832385 [0,0,0,1,0,0|2,0,0]=3 82 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,0,0,1,0,0|1,0,2]=4 83 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,0,0,1,0,0|1,0,2]=4 84 B10R1.58 O=C(O)C1CC(=O)N(C1)O Z1205496168 [0,0,0,1,0,0|3,0,0]=4 85 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C Z2307368764 [0,0,0,1,0,0|2,0,1]=4 86 B10R1.349 NC(=O)N1CC(C1)C(=O)O Z1217191917 [0,0,0,1,0,0|2,0,0]=3 87 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O Z2740745597 [0,0,0,1,0,0|3,0,0]=4 88 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,0,0,1,0,0|2,0,1]=4 89 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,0,0,0,1,0|3,0,0]=4 90 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,0,0,0,1,0|2,0,1]=4 91 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,0,0,0,1,0|3,0,0]=4 92 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,0,0,0,1,0|3,0,0]=4 93 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,0,0,0,1,0|2,0,1]=4 94 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,0,0,0,1,0|3,0,0]=4 95 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,0,0,0,1,0|1,0,0]=2 96 B8R0.23 CN(CC(=O)O)C(=N)N Z1203577925 [0,0,0,0,1,0|3,0,0]=4 97 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [0,0,0,0,1,0|2,0,0]=3 98 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,0,0,0,1,0|2,0,0]=3 99 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,0,0,0,1,0|2,0,0]=3 100 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,0,0,0,1,0|2,0,0]=3 101 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,0,0,0,1,0|0,0,0]=1 102 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,0,0,0,1,0|1,0,0]=2 103 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,0,0,0,1,0|1,0,0]=2 104 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,0,0,0,1,0|1,0,0]=2 105 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,0,0,0,1,0|2,0,1]=4 106 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,0,0,1,0|2,0,0]=3 107 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,0,0,1,0|2,0,0]=3 108 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,0,0,1,0|2,0,0]=3 109 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,0,0,1,0|2,0,0]=3 110 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,0,0,0,0,1|2,0,0]=3 111 B10R0.98 CC(C)C(N)CCCC(=O)O Z4573099344 [0,0,0,0,0,1|2,0,1]=4 112 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,0,0,0,0,1|1,0,0]=2 113 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,0,0,0,0,1|1,0,0]=2 114 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|1,0,0]=3 115 B7R0.4 C=CCNCC(=O)O Z803145546 [2,0,0,0,0,0|2,0,0]=4 116 B7R0.4 C=CCOCC(=O)O Z362807794 [2,0,0,0,0,0|2,0,0]=4 117 B7R0.4 C=CCSCC(=O)O Z149151274 [2,0,0,0,0,0|2,0,0]=4 118 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|1,0,1]=4 119 B7R0.4 CNCCCC(=O)O Z57043473 [2,0,0,0,0,0|2,0,0]=4 120 B7R0.4 COCCCC(=O)O Z316258912 [2,0,0,0,0,0|2,0,0]=4 121 B7R0.4 CSCCCC(=O)O Z54602911 [2,0,0,0,0,0|2,0,0]=4 122 B7R0.4 N#CCCCC(=O)O Z1198152304 [2,0,0,0,0,0|0,0,2]=4 123 B7R0.4 NC(=O)COCCO Z1198148880 [2,0,0,0,0,0|1,0,1]=4 124 B7R0.4 NC(=O)NCCCO Z198194722 [2,0,0,0,0,0|1,0,1]=4 125 B7R0.4 NCCCCC(=O)N Z1639630947 [2,0,0,0,0,0|1,0,1]=4 126 B7R0.4 NCCCCC(=O)O Z271111992 [2,0,0,0,0,0|0,0,1]=3 127 B7R0.4 NCCNCC(=O)O Z2692249907 [2,0,0,0,0,0|1,0,1]=4 128 B7R0.4 NCCOCC(=O)O Z1650039500 [2,0,0,0,0,0|1,0,1]=4 129 B7R0.4 NCCSCC(=O)O Z1381287295 [2,0,0,0,0,0|1,0,1]=4 130 B7R0.4 O=C(O)CCCCBr Z104479696 [2,0,0,0,0,0|1,0,1]=4 131 B7R0.4 O=C(O)CCCCS Z808230828 [2,0,0,0,0,0|0,1,1]=4 132 B7R0.4 O=C([O-])CCCCO Z2335631573 [2,0,0,0,0,0|1,0,1]=4 133 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [2,0,0,0,0,0|0,0,2]=4 134 B7R0.5 C=CCC(N)C(=O)O Z317024964 [2,0,0,0,0,0|1,0,1]=4 135 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [2,0,0,0,0,0|1,0,1]=4 136 B7R0.5 CCCC(N)C(=O)O Z317024724 [2,0,0,0,0,0|1,0,1]=4 137 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [2,0,0,0,0,0|1,0,1]=4 138 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [2,0,0,0,0,0|1,0,1]=4 139 B7R0.5 NC(CCF)C(=O)O Z2470036329 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|1,0,0]=3 141 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|1,0,0]=3 143 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|1,0,0]=3 144 B7R0.6 CC(=O)CCC(=O)O Z104477318 [2,0,0,0,0,0|1,0,1]=4 145 B7R0.6 CC(C)CCC(=O)O Z56347204 [2,0,0,0,0,0|1,0,1]=4 146 B7R0.6 CC(N)CCC(=O)O Z1235963367 [2,0,0,0,0,0|0,0,1]=3 147 B7R0.6 CC(O)CCC(=O)O Z838959470 [2,0,0,0,0,0|1,0,1]=4 148 B7R0.6 CS(=O)CCC(=O)O Z667974346 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.6 NC(=O)NCC(=O)O Z57009586 [2,0,0,0,0,0|1,0,1]=4 150 B7R0.6 O=C(O)CCC(=O)O Z57127453 [2,0,0,0,0,0|1,0,1]=4 151 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [1,1,0,0,0,0|1,0,1]=4 152 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [1,1,0,0,0,0|2,0,0]=4 153 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [1,1,0,0,0,0|1,0,1]=4 154 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [1,1,0,0,0,0|2,0,0]=4 155 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [1,1,0,0,0,0|2,0,0]=4 156 B9R0.1 CNC(=O)CCCC(=O)[O-] Z1625822283 [1,1,0,0,0,0|0,0,1]=3 157 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [1,1,0,0,0,0|1,0,0]=3 158 B9R0.1 COC(=O)CCCS(=O)C Z802572168 [1,1,0,0,0,0|2,0,0]=4 159 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [1,1,0,0,0,0|2,0,0]=4 160 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [1,1,0,0,0,0|2,0,0]=4 161 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [1,1,0,0,0,0|2,0,0]=4 162 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [1,1,0,0,0,0|1,0,0]=3 163 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [1,1,0,0,0,0|1,0,0]=3 164 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [1,1,0,0,0,0|2,0,0]=4 165 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [1,1,0,0,0,0|1,0,0]=3 166 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [1,1,0,0,0,0|2,0,0]=4 167 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [1,1,0,0,0,0|1,0,0]=3 168 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [1,1,0,0,0,0|2,0,0]=4 169 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,1,0,0,1,0|2,0,0]=4 170 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,1,0,0,1,0|2,0,0]=4 171 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,0,0,1,0|1,0,0]=3 172 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,1,0,0,1,0|2,0,0]=4 173 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,1,0,0,1,0|2,0,0]=4 174 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,1,0,0,1,0|2,0,0]=4 175 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,1,0,0,1,0|2,0,0]=4 176 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,1,0,0,1,0|2,0,0]=4 177 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [0,1,0,0,1,0|2,0,0]=4 178 B11R0.150 CC(SC[C@H](N)C(=O)O)C(=O)O Z4607373725 [0,1,0,0,0,1|1,0,0]=3 179 B11R0.201 COC(=O)CCC(C)(C)C(=O)O Z1262512264 [0,2,0,0,0,0|2,0,0]=4 180 B11R0.288 COC(=O)C(C)(C)CCC(=O)O Z1198331064 [0,2,0,0,0,0|2,0,0]=4 181 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Z1809258545 [0,2,0,0,0,0|1,0,0]=3 182 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O Z1741979091 [0,2,0,0,0,0|2,0,0]=4 183 B9R1.5 NC1CCCCNC1=O Z281895050 [1,0,0,1,0,0|1,0,1]=4 184 B9R1.6 NC(=O)C1CC=CCC1 Z145119476 [1,0,0,1,0,0|2,0,0]=4 185 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [1,0,0,1,0,0|1,0,1]=4 186 B9R1.35 NC(=O)C1CNC(=O)C1 Z57248576 [1,0,0,1,0,0|2,0,0]=4 187 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,1,0,0|2,0,0]=4 188 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [1,0,0,1,0,0|1,0,0]=3 189 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [1,0,0,1,0,0|1,0,0]=3 192 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [1,0,0,1,0,0|1,0,0]=3 193 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [1,0,0,1,0,0|2,0,0]=4 194 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [1,0,0,1,0,0|2,0,0]=4 195 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [1,0,0,1,0,0|2,0,0]=4 196 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [1,0,0,1,0,0|2,0,0]=4 197 B9R1.69 CC1CNC(=O)NC1=O Z55928832 [1,0,0,1,0,0|2,0,0]=4 198 B9R1.69 CC1NC(=O)CCC1N Z1509112048 [1,0,0,1,0,0|1,0,1]=4 199 B9R1.69 CN1CCC(=O)NC1=O Z852405042 [1,0,0,1,0,0|2,0,0]=4 200 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [1,0,0,1,0,0|0,0,0]=2 201 B9R1.69 O=C1NCC(C(=O)N1)Br Z119984126 [1,0,0,1,0,0|2,0,0]=4 202 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [1,0,0,1,0,0|1,0,1]=4 203 B9R1.1 O=CC1CCC(=O)CC1 Z1198165293 [1,0,0,1,0,0|2,0,0]=4 204 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [1,0,0,1,0,0|1,0,1]=4 205 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [1,0,0,1,0,0|1,0,1]=4 206 B9R1.53 CC(=O)CC1CC(=O)N1 Z1203732573 [1,0,0,1,0,0|1,0,0]=3 207 B9R1.53 NC1CC(C1)CC(=O)O Z2832014018 [1,0,0,1,0,0|1,0,1]=4 208 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O Z3032846287 [1,0,0,1,0,0|1,0,1]=4 209 B9R1.66 O=C1CCCS(=O)(=O)N1 Z1201624740 [1,0,0,1,0,0|1,0,1]=4 210 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [1,0,0,1,0,0|0,0,0]=2 211 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [1,0,0,1,0,0|1,0,0]=3 212 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Z2309898871 [1,0,0,1,0,0|2,0,0]=4 213 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [1,0,0,1,0,0|1,0,0]=3 214 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,0,0,1,1,0|2,0,0]=4 215 B11R1.74 C[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3779337331 [0,0,0,1,0,1|2,0,0]=4 216 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,0,0,1,0,1|1,0,0]=3 217 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O Z1198153153 [0,0,0,1,0,1|1,0,1]=4 218 B11R1.75 O=C(O)CCC1=CNC(=O)N1 Z1262517531 [0,0,0,1,0,1|1,0,1]=4 219 B11R1.75 O=C(O)CCC1=NC(=O)NN1 Z1695669919 [0,0,0,1,0,1|0,0,1]=3 220 B11R1.75 O=C(O)CCC1CCC(=O)N1 Z1198163513 [0,0,0,1,0,1|2,0,0]=4 221 B11R1.75 O=C(O)CCC1CNC(=O)N1 Z1262531245 [0,0,0,1,0,1|1,0,0]=3 222 B11R1.75 O=C(O)CSC1=NC(=O)NN1 Z1725377461 [0,0,0,1,0,1|1,0,1]=4 223 B11R1.645 O=C(O)CC1NC(=O)NC1=O Z57662377 [0,0,0,1,0,1|1,0,1]=4 224 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O Z1814367061 [0,0,0,1,0,1|1,0,0]=3 225 B11R1.175 O=C(O)C1CCC(C1)C(=O)O Z274502046 [0,0,0,1,0,1|2,0,0]=4 226 B11R1.175 O=C(O)C1CCC(O1)C(=O)O Z1198155989 [0,0,0,1,0,1|2,0,0]=4 227 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O Z1262511442 [0,0,0,1,0,1|2,0,0]=4 228 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O Z1954802631 [0,0,0,1,0,1|2,0,0]=4 229 B11R1.313 C[C@H]1C(=O)CC[C@@H]1CC(=O)O Z4287087572 [0,1,0,1,0,0|2,0,0]=4 230 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O Z1270392248 [0,1,0,1,0,0|1,0,0]=3 231 B11R1.1389 O=C(O)[C@H]1C[C@](C1)(O)C(=O)O Z3271169452 [0,1,0,1,0,0|2,0,0]=4 232 B11R1.853 CNC(=O)N1CC(C1)C(=O)O Z1269648323 [0,1,0,1,0,0|2,0,0]=4 233 B11R1.3 O=CC1=CNC(CC1)C(=O)O Z3446087356 [0,1,0,1,0,0|2,0,0]=4 234 B11R2.612 O=C1N[C@H]([C@@H]2[C@H]1C2)C(=O)O Z3638167617 [0,0,0,2,0,0|1,0,0]=3 235 B7R0.2 CC(CN)CC(=O)O Z1436472873 [1,0,0,0,1,0|1,0,1]=4 236 B7R0.2 CCC(N)CC(=O)O Z1708090940 [1,0,0,0,1,0|1,0,1]=4 237 B7R0.2 NCC(O)CC(=O)O Z1255390571 [1,0,0,0,1,0|1,0,1]=4 238 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [1,0,0,0,1,0|1,0,1]=4 239 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [1,0,0,0,1,0|1,0,1]=4 240 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,0,0,0,2,0|2,0,0]=4 241 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,0,0,0,2,0|2,0,0]=4 242 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,0,0,0,2,0|2,0,0]=4 243 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,0,0,0,2,0|1,0,0]=3 244 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,0,0,0,2,0|2,0,0]=4 245 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [1,0,0,0,0,1|1,0,1]=4 246 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [1,0,0,0,0,1|0,0,0]=2 247 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [1,0,0,0,0,1|0,0,0]=2 248 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [1,0,0,0,0,1|0,0,0]=2 249 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [1,0,0,0,0,1|1,0,0]=3 250 B11R0.29 CC(=O)C(C)CCCCC(=O)O Z1262513809 [0,0,0,0,0,2|2,0,0]=4 251 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O Z3661982306 [0,0,0,0,0,2|2,0,0]=4 252 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Z1255438848 [0,0,0,0,0,2|2,0,0]=4 253 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Z1198149761 [0,0,0,0,0,2|2,0,0]=4