0 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.39 CCC(CC(C)C)C(=O)O Z756391140 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.39 CCC(CC(F)F)C(=O)O Z1321943682 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.39 COC(CC(C)C)C(=O)O Z1205496164 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.15 CCOC(CC)C(=O)O Z449367060 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.15 CNC(COC)C(=O)O Z1250132318 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.16 CC(C)CC(CN)CO Z1945704754 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.16 CCC(CC)CC(C)C Z3300757366 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.16 COC(CN)CC(C)C Z1270207720 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.16 COC(CO)CC(C)C Z2050575509 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [1,0,0,0,0,0|0,0,2]=3 19 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [1,0,0,0,0,0|0,0,0]=1 25 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [1,0,0,0,0,0|0,0,0]=1 26 B8R0.23 CC(C)CN(C)C(=N)N Z2526714360 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [1,0,0,0,0,0|0,0,0]=1 28 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [1,0,0,0,0,0|0,0,0]=1 29 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [1,0,0,0,0,0|1,0,0]=2 31 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [1,0,0,0,0,0|1,0,0]=2 34 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [1,0,0,0,0,0|2,0,0]=3 35 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [1,0,0,0,0,0|1,0,0]=2 36 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [1,0,0,0,0,0|2,0,1]=4 44 B10R0.23 C=CCC(CC(C)C)C(=O)O Z1262513795 [0,1,0,0,0,0|1,0,1]=3 45 B10R0.23 CCCC(NC(C)C)C(=O)O Z1665263806 [0,1,0,0,0,0|2,0,0]=3 46 B10R0.95 CCC(CC(F)(F)F)C(=O)O Z1262547938 [0,1,0,0,0,0|3,0,0]=4 47 B10R0.95 CNC(CC(C)(C)C)C(=O)O Z1041195030 [0,1,0,0,0,0|0,0,0]=1 48 B10R0.95 CNC(CC(F)(F)F)C(=O)O Z4663899960 [0,1,0,0,0,0|2,0,0]=3 49 B10R0.119 CC(C)CC(C)(CN)C(=O)O Z2890496360 [0,1,0,0,0,0|2,0,0]=3 50 B10R0.162 CC(C)C(CN(C)C)C(=O)O Z4877837656 [0,1,0,0,0,0|2,0,0]=3 51 B10R0.162 CC(C)CC(C(=O)N)C(=O)O Z1262518071 [0,1,0,0,0,0|2,0,0]=3 52 B10R0.162 CC(C)CC(C(=O)O)C(=O)O Z1198161254 [0,1,0,0,0,0|2,0,0]=3 53 B10R0.162 CC(C)CC(C(=O)O)C(C)C Z756391614 [0,1,0,0,0,0|1,0,0]=2 54 B10R0.162 CC(C)NC(C(=O)O)C(C)C Z449368982 [0,1,0,0,0,0|2,0,0]=3 55 B10R0.162 CN(C)[C@H](CC(=O)O)C(=O)O Z1262526606 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.30 CC1CCC(=O)C(C1)C=O Z854045786 [0,0,0,1,0,0|3,0,0]=4 57 B10R1.30 CCC1CC(CCC1=O)C Z854046008 [0,0,0,1,0,0|2,0,0]=3 58 B10R1.59 CC1CC(C(O1)C(=O)O)C Z1947908132 [0,0,0,1,0,0|2,0,0]=3 59 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O Z3247574257 [0,0,0,1,0,0|1,0,0]=2 60 B10R1.59 N[C@@H]1C[C@@H](C[C@@H]1C(=O)O)O Z2939860921 [0,0,0,1,0,0|3,0,0]=4 61 B10R1.64 CC(N)CN1CCOC1=O Z1262237181 [0,0,0,1,0,0|3,0,0]=4 62 B10R1.64 CN(C)CC1CCCC1=O Z1272096659 [0,0,0,1,0,0|3,0,0]=4 63 B10R1.113 CC(=O)C1CCCN(C1)C Z413815762 [0,0,0,1,0,0|3,0,0]=4 64 B10R1.113 CC(=O)C1CCOC(C1)C Z1276728239 [0,0,0,1,0,0|3,0,0]=4 65 B10R1.113 CC(=O)[C@H]1CNC[C@H](C1)C Z5212943153 [0,0,0,1,0,0|3,0,0]=4 66 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,0,0,1,0,0|2,0,0]=3 67 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,0,0,1,0,0|2,0,0]=3 68 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,0,0,1,0,0|1,0,0]=2 69 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,0,0,1,0,0|2,0,0]=3 70 B10R1.113 CC1CCCN(C1)C(=O)N Z198194364 [0,0,0,1,0,0|3,0,0]=4 71 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,0,0,1,0,0|0,0,0]=1 72 B10R1.113 CC1CCNC(C1)C(C)O Z1197886054 [0,0,0,1,0,0|1,0,1]=3 73 B10R1.113 CC1CNCC(C1)C(=O)N Z3268397570 [0,0,0,1,0,0|3,0,0]=4 74 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,0,0,1,0,0|3,0,0]=4 75 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,0,0,1,0,0|2,0,0]=3 76 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,0,0,1,0,0|2,0,0]=3 77 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,0,0,1,0,0|2,0,0]=3 78 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,0,0,1,0,0|2,0,0]=3 79 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,0,0,1,0,0|2,0,0]=3 80 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,0,0,1,0,0|2,0,0]=3 81 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,0,0,1,0,0|2,0,0]=3 82 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,0,0,1,0,0|2,0,0]=3 83 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,0,0,1,0,0|2,0,0]=3 84 B10R1.234 CC1CC(C1)(C#N)C(=O)O Z1209445888 [0,0,0,1,0,0|2,0,0]=3 85 B10R1.234 COC1(CC(C1)C)C(=O)O Z1847086517 [0,0,0,1,0,0|1,0,0]=2 86 B10R1.234 CS[C@@]1(C[C@H](C1)N)C(=O)O Z5354480047 [0,0,0,1,0,0|2,0,0]=3 87 B10R1.234 NCC1(CC(C1)O)C(=O)O Z2937631757 [0,0,0,1,0,0|3,0,0]=4 88 B10R1.242 CC1(CC1(C#N)C(=O)O)C Z2182005711 [0,0,0,1,0,0|2,0,0]=3 89 B10R1.359 CC1(CC(CN1)C(=O)O)C Z4238522538 [0,0,0,1,0,0|2,0,0]=3 90 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,0,0,1,0,0|1,0,0]=2 91 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,0,0,1,0,0|2,0,0]=3 92 B10R1.359 CC1(CNC(C1)C(=O)O)C Z3247793866 [0,0,0,1,0,0|0,0,0]=1 93 B10R1.359 CC1(NC(CS1)C(=O)O)C Z111883472 [0,0,0,1,0,0|3,0,0]=4 94 B10R1.359 O=C(O)C1CC(CN1)(F)F Z1815156403 [0,0,0,1,0,0|2,0,0]=3 95 B10R1.359 O=C(O)C1CCC(C1)(F)F Z1255366935 [0,0,0,1,0,0|3,0,0]=4 96 B10R1.442 CC(=O)CC1(CC1)C(=O)O Z2732453061 [0,0,0,1,0,0|2,0,1]=4 97 B10R1.442 CC(C)CC1(CC1)C(=O)O Z1270131184 [0,0,0,1,0,0|1,0,0]=2 98 B10R1.442 CC(C)NC1(CC1)C(=O)O Z4570268872 [0,0,0,1,0,0|2,0,0]=3 99 B10R1.442 CN(C)CC1(CC1)C(=O)O Z2238508630 [0,0,0,1,0,0|2,0,0]=3 100 B10R1.469 NCC(CC1CC1)C(=O)O Z2453099346 [0,0,0,1,0,0|2,0,0]=3 101 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,0,0,0,1,0|2,0,0]=3 102 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,0,0,0,1,0|2,0,0]=3 103 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,0,0,0,1,0|2,0,0]=3 104 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,0,0,0,1,0|1,0,0]=2 105 B7R0.5 C=CCC(N)C(=O)O Z317024964 [2,0,0,0,0,0|0,0,2]=4 106 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [2,0,0,0,0,0|0,0,2]=4 107 B7R0.5 CC(CCN)C(=O)O Z2298167292 [2,0,0,0,0,0|1,0,0]=3 108 B7R0.5 CCCC(C)C(=O)O Z104477112 [2,0,0,0,0,0|0,0,0]=2 109 B7R0.5 CCCC(N)C(=O)O Z317024724 [2,0,0,0,0,0|0,0,0]=2 110 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [2,0,0,0,0,0|0,0,0]=2 111 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [2,0,0,0,0,0|0,0,0]=2 112 B7R0.5 CCNC(C)C(=O)O Z3181996310 [2,0,0,0,0,0|1,0,0]=3 113 B7R0.5 CCOC(C)C(=O)O Z316258934 [2,0,0,0,0,0|1,0,0]=3 114 B7R0.5 CNCC(C)C(=O)O Z1270387301 [2,0,0,0,0,0|1,0,0]=3 115 B7R0.5 COCC(C)C(=O)O Z431541094 [2,0,0,0,0,0|1,0,0]=3 116 B7R0.5 COCC(N)C(=O)O Z1613478163 [2,0,0,0,0,0|1,0,0]=3 117 B7R0.5 CSCC(C)C(=O)O Z732206684 [2,0,0,0,0,0|1,0,0]=3 118 B7R0.5 CSCC(N)C(=O)O Z317025996 [2,0,0,0,0,0|1,0,0]=3 119 B7R0.5 NC(CCF)C(=O)O Z2470036329 [2,0,0,0,0,0|1,0,0]=3 120 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|1,0,0]=3 121 B7R0.5 NCCC(F)C(=O)O Z3235903750 [2,0,0,0,0,0|2,0,0]=4 122 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [2,0,0,0,0,0|1,0,0]=3 123 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|1,0,0]=3 125 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|1,0,0]=3 126 B7R0.12 CCCC(CO)OC Z2050356185 [2,0,0,0,0,0|1,0,1]=4 127 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [2,0,0,0,0,0|2,0,0]=4 128 B7R0.15 CCC(CC)C(=O)N Z365255920 [2,0,0,0,0,0|2,0,0]=4 129 B7R0.15 CCC(NC)C(=O)O Z818727142 [2,0,0,0,0,0|0,0,0]=2 130 B7R0.15 CCC(OC)C(=O)O Z449367058 [2,0,0,0,0,0|1,0,0]=3 131 B7R0.15 CCC(SC)C(=O)O Z732206700 [2,0,0,0,0,0|1,0,0]=3 132 B7R0.15 CNC(CN)C(=O)O Z1982493964 [2,0,0,0,0,0|1,0,0]=3 133 B7R0.15 COC(CN)C(=O)O Z1603778808 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.2 CC(C)CC(C)C#N Z415654744 [2,0,0,0,0,0|1,0,1]=4 135 B7R0.2 CC(C)CC(C)CO Z1198147790 [2,0,0,0,0,0|0,0,1]=3 136 B7R0.2 CC(C)CC(N)C#N Z449369050 [2,0,0,0,0,0|1,0,1]=4 137 B7R0.2 CC(C)CC(N)CN Z425861052 [2,0,0,0,0,0|1,0,1]=4 138 B7R0.2 CC(C)CC(N)CO Z734151210 [2,0,0,0,0,0|0,0,1]=3 139 B7R0.2 CC(C)CC(O)CN Z1259162114 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.2 CN(C)CC(N)CO Z2092369044 [2,0,0,0,0,0|1,0,1]=4 141 B7R0.2 CNC(=N)CC(C)C Z4121959005 [2,0,0,0,0,0|1,0,1]=4 142 B7R0.2 CNC(=O)CC(C)N Z1457935170 [2,0,0,0,0,0|1,0,1]=4 143 B7R0.6 CC(=O)CCC(=O)O Z104477318 [2,0,0,0,0,0|1,0,1]=4 144 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [2,0,0,0,0,0|0,0,2]=4 145 B7R0.6 CC(C)CCC(=N)N Z2522503133 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.6 CC(C)CCC(=O)O Z56347204 [2,0,0,0,0,0|0,0,0]=2 147 B7R0.6 CC(C)CNC(=O)N Z56895708 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.6 CC(C)NCC(=O)N Z56969693 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.6 CC(C)NCC(=O)O Z359419672 [2,0,0,0,0,0|1,0,0]=3 150 B7R0.6 CC(C)OCC(=O)O Z316259244 [2,0,0,0,0,0|1,0,0]=3 151 B7R0.6 CC(C)SCC(=O)O Z214812600 [2,0,0,0,0,0|1,0,0]=3 152 B7R0.6 CC(N)CCC(=O)O Z1235963367 [2,0,0,0,0,0|1,0,0]=3 153 B7R0.6 CC(O)CCC(=O)O Z838959470 [2,0,0,0,0,0|1,0,0]=3 154 B7R0.6 CN(C)CCC(=O)N Z168912842 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.6 CN(C)CCC(=O)O Z168912830 [2,0,0,0,0,0|1,0,0]=3 156 B7R0.6 CS(=O)CCC(=O)O Z667974346 [2,0,0,0,0,0|2,0,0]=4 157 B9R0.12 CCNC(CC)C(=O)OC Z2903872428 [1,1,0,0,0,0|2,0,0]=4 158 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [1,1,0,0,0,0|1,0,0]=3 159 B9R0.13 CCCCC(CC)C(=O)N Z394696486 [1,1,0,0,0,0|2,0,0]=4 160 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [1,1,0,0,0,0|1,0,0]=3 161 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [1,1,0,0,0,0|1,0,0]=3 162 B9R0.15 CCCC(CCC)C(=O)N Z995089344 [1,1,0,0,0,0|2,0,0]=4 163 B9R0.15 CCCC(CCC)C(=O)O Z756391526 [1,1,0,0,0,0|1,0,0]=3 164 B9R0.15 NCCC(CCN)C(=O)O Z1415893857 [1,1,0,0,0,0|2,0,0]=4 165 B9R0.29 CCC(C)C(CC)C(=O)N Z1198155509 [1,1,0,0,0,0|2,0,0]=4 166 B9R0.29 CCC(C)C(NC)C(=O)O Z2472857058 [1,1,0,0,0,0|0,0,0]=2 167 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [1,1,0,0,0,0|1,0,0]=3 168 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [1,1,0,0,0,0|0,0,0]=2 169 B9R0.33 CCNC(C(=O)O)C(C)C Z1259273177 [1,1,0,0,0,0|2,0,0]=4 170 B9R0.33 CCSC(C(=O)O)C(C)C Z332377408 [1,1,0,0,0,0|2,0,0]=4 171 B9R0.33 CN(C)C(CCO)C(=O)O Z5134019755 [1,1,0,0,0,0|1,0,0]=3 172 B9R0.33 COCC(C(=O)O)N(C)C Z4653441284 [1,1,0,0,0,0|1,0,0]=3 173 B9R0.74 CCC(C)(COC)C(=O)O Z1627075139 [1,1,0,0,0,0|2,0,0]=4 174 B9R0.74 CCC(N)(COC)C(=O)O Z2217033049 [1,1,0,0,0,0|2,0,0]=4 175 B9R0.74 CNC(C)(COC)C(=O)O Z2234185714 [1,1,0,0,0,0|1,0,0]=3 176 B9R0.52 CNC(CO)CC(C)(C)C Z2235803819 [1,1,0,0,0,0|0,0,1]=3 177 B9R0.10 CC(C)CC(C)S(=O)(=O)N Z954606604 [1,1,0,0,0,0|1,0,1]=4 178 B9R0.11 CC(=O)C(C)(C)CN(C)C Z1259162017 [1,1,0,0,0,0|2,0,0]=4 179 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [1,1,0,0,0,0|1,0,1]=4 180 B9R0.11 CC(C)(CC(F)F)C(=O)O Z1321944873 [1,1,0,0,0,0|2,0,0]=4 181 B9R0.11 CC(C)CC(C)(C)C(=O)O Z995179602 [1,1,0,0,0,0|0,0,0]=2 182 B9R0.11 CC(C)CC(C)(N)C(=O)N Z477337822 [1,1,0,0,0,0|1,0,0]=3 183 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [1,1,0,0,0,0|0,0,0]=2 184 B9R0.11 CC(C)OC(C)(C)C(=O)O Z803494892 [1,1,0,0,0,0|1,0,0]=3 185 B9R0.11 CN(C)CC(C)(C)C(=O)O Z2941395068 [1,1,0,0,0,0|1,0,0]=3 186 B9R0.23 CCC(=O)C(C)CC(C)C Z1138187020 [1,1,0,0,0,0|1,0,0]=3 187 B9R0.23 CNC(=O)C(N)CC(C)C Z815264052 [1,1,0,0,0,0|1,0,0]=3 188 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [1,1,0,0,0,0|1,0,1]=4 189 B9R0.23 COC(=O)C(N)CC(C)C Z56960272 [1,1,0,0,0,0|0,0,0]=2 190 B9R0.23 COC(=O)C(N)CN(C)C Z2096088400 [1,1,0,0,0,0|1,0,0]=3 191 B9R0.23 COC(=O)C(O)CC(C)C Z965047572 [1,1,0,0,0,0|1,0,0]=3 192 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [1,1,0,0,0,0|1,0,1]=4 193 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [1,1,0,0,0,0|0,0,0]=2 194 B9R0.42 CNC(C)CN(C)C(=O)C Z4994365145 [1,1,0,0,0,0|2,0,0]=4 195 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [1,1,0,0,0,0|1,0,1]=4 196 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [1,1,0,0,0,0|2,0,0]=4 197 B9R0.57 C/C(=C\C(C)(C)C)/C(=O)O Z1868430509 [1,1,0,0,0,0|0,0,2]=4 198 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [1,1,0,0,0,0|0,0,0]=2 199 B9R0.57 CC(C)(C)CC(O)C(=O)O Z1041195612 [1,1,0,0,0,0|1,0,0]=3 200 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [1,1,0,0,0,0|0,0,0]=2 201 B9R0.57 CC(CC(C)(C)C)C(=O)O Z1198149948 [1,1,0,0,0,0|0,0,0]=2 202 B9R0.57 CC(CC(C)(C)N)C(=O)O Z1742056030 [1,1,0,0,0,0|0,0,0]=2 203 B9R0.57 CC(CC(F)(F)F)C(=O)O Z1201619644 [1,1,0,0,0,0|2,0,0]=4 204 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [1,1,0,0,0,0|2,0,0]=4 205 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [1,1,0,0,0,0|1,0,0]=3 206 B9R0.57 NC(CC(F)(F)F)C(=O)O Z1357902358 [1,1,0,0,0,0|2,0,0]=4 207 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [1,1,0,0,0,0|0,0,0]=2 208 B9R0.79 CC(C)C(N)C(O)C(=O)O Z1203578698 [1,1,0,0,0,0|1,0,0]=3 209 B9R0.54 CC(C)C(C(=O)O)C(=O)O Z1201617379 [0,1,0,0,1,0|2,0,0]=4 210 B9R0.54 CC(C)C(C(=O)O)C(C)N Z2357417371 [0,1,0,0,1,0|1,0,0]=3 211 B9R0.54 CC(C)C(C(=O)O)N(C)C Z1259273255 [0,1,0,0,1,0|0,0,0]=2 212 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C Z1198175490 [0,1,0,0,1,0|0,0,0]=2 213 B9R0.54 CC(C)[C@H](C(=O)O)N(C)C Z1205495496 [0,1,0,0,1,0|0,0,0]=2 214 B9R0.72 CC(C)(C)C(CO)C(=O)O Z1205656785 [0,1,0,0,1,0|2,0,0]=4 215 B9R0.72 CSC(C(=O)O)C(C)(C)C Z1645899704 [0,1,0,0,1,0|1,0,0]=3 216 B9R0.76 CCC(N)(C(=O)N)C(C)C Z727616020 [0,1,0,0,1,0|2,0,0]=4 217 B11R0.118 CNC(COC(C)C)C(=O)OC Z1463351176 [0,1,0,0,0,1|0,0,0]=2 218 B11R0.371 CCC(C)(CCC(C)C)C(=O)O Z995182176 [0,1,0,0,0,1|1,0,0]=3 219 B11R0.56 CCOC(=O)C(CC(C)C)NC Z1809367705 [0,2,0,0,0,0|0,0,0]=2 220 B11R0.56 CCOC(=O)C(CN)CC(C)C Z2234631215 [0,2,0,0,0,0|2,0,0]=4 221 B11R0.123 COC(=O)C(CN)CC(C)(C)C Z3328021029 [0,2,0,0,0,0|2,0,0]=4 222 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [1,0,0,1,0,0|1,0,0]=3 223 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [1,0,0,1,0,0|1,0,0]=3 224 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [1,0,0,1,0,0|1,0,0]=3 225 B9R1.6 CC(O)C1CCCCN1 Z995042172 [1,0,0,1,0,0|1,0,1]=4 226 B9R1.6 N=C(N)C1CCCCN1 Z1269145449 [1,0,0,1,0,0|2,0,0]=4 227 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [1,0,0,1,0,0|2,0,0]=4 228 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [1,0,0,1,0,0|1,0,0]=3 229 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [1,0,0,1,0,0|2,0,0]=4 230 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [1,0,0,1,0,0|2,0,0]=4 231 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [1,0,0,1,0,0|1,0,1]=4 232 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [1,0,0,1,0,0|0,0,2]=4 233 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [1,0,0,1,0,0|0,0,2]=4 234 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [1,0,0,1,0,0|1,0,0]=3 235 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [1,0,0,1,0,0|0,0,0]=2 236 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [1,0,0,1,0,0|1,0,0]=3 237 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [1,0,0,1,0,0|2,0,0]=4 240 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [1,0,0,1,0,0|2,0,0]=4 241 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [1,0,0,1,0,0|2,0,0]=4 242 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [1,0,0,1,0,0|2,0,0]=4 243 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [1,0,0,1,0,0|2,0,0]=4 244 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [1,0,0,1,0,0|1,0,0]=3 245 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [1,0,0,1,0,0|1,0,0]=3 246 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [1,0,0,1,0,0|1,0,0]=3 247 B9R1.6 O=C(O)C1COCCO1 Z362763682 [1,0,0,1,0,0|2,0,0]=4 248 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [1,0,0,1,0,0|2,0,0]=4 249 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [1,0,0,1,0,0|0,0,0]=2 251 B9R1.15 CCC1CCCNC1=O Z1203731521 [1,0,0,1,0,0|2,0,0]=4 252 B9R1.15 CNC1CCCNC1=O Z1795818556 [1,0,0,1,0,0|1,0,0]=3 253 B9R1.15 CSC1CCCCC1=O Z732208578 [1,0,0,1,0,0|2,0,0]=4 254 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [1,0,0,1,0,0|2,0,0]=4 255 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [1,0,0,1,0,0|1,0,0]=3 256 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [1,0,0,1,0,0|1,0,0]=3 257 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [1,0,0,1,0,0|2,0,0]=4 258 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [1,0,0,1,0,0|2,0,0]=4 259 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [1,0,0,1,0,0|2,0,0]=4 260 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [1,0,0,1,0,0|2,0,0]=4 261 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F Z1203582968 [1,0,0,1,0,0|2,0,0]=4 262 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [1,0,0,1,0,0|2,0,0]=4 263 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [1,0,0,1,0,0|2,0,0]=4 264 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [1,0,0,1,0,0|1,0,0]=3 265 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [1,0,0,1,0,0|1,0,0]=3 266 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [1,0,0,1,0,0|1,0,0]=3 267 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [1,0,0,1,0,0|1,0,1]=4 268 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [1,0,0,1,0,0|1,0,1]=4 269 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,0,0,1,0,0|1,0,0]=3 270 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [1,0,0,1,0,0|2,0,0]=4 271 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [1,0,0,1,0,0|2,0,0]=4 272 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [1,0,0,1,0,0|2,0,0]=4 273 B9R1.41 CN1CCCC1C(=O)O Z424762078 [1,0,0,1,0,0|0,0,0]=2 274 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [1,0,0,1,0,0|0,0,0]=2 275 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [1,0,0,1,0,0|1,0,0]=3 276 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [1,0,0,1,0,0|2,0,0]=4 277 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [1,0,0,1,0,0|1,0,0]=3 278 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [1,0,0,1,0,0|1,0,0]=3 279 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [1,0,0,1,0,0|2,0,0]=4 280 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [1,0,0,1,0,0|2,0,0]=4 281 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,0,0,1,0,0|2,0,0]=4 282 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [1,0,0,1,0,0|2,0,0]=4 283 B9R1.119 CCC1(CCC1)C(=O)O Z1205494281 [1,0,0,1,0,0|1,0,0]=3 284 B9R1.119 CCC1(COC1)C(=O)O Z1205656653 [1,0,0,1,0,0|2,0,0]=4 285 B9R1.119 CNC1(CCC1)C(=O)O Z2327124607 [1,0,0,1,0,0|0,0,0]=2 286 B9R1.119 COC1(CCC1)C(=O)O Z1592683230 [1,0,0,1,0,0|1,0,0]=3 287 B9R1.119 N#CC1(CCC1)C(=O)O Z825761124 [1,0,0,1,0,0|2,0,0]=4 288 B9R1.119 NCC1(CCC1)C(=O)O Z2037266975 [1,0,0,1,0,0|2,0,0]=4 289 B9R1.119 O=C(O)C1(CCC1)CO Z1263714391 [1,0,0,1,0,0|2,0,0]=4 290 B9R1.130 CC1CC1(C#N)C(=O)O Z1650185273 [1,0,0,1,0,0|2,0,0]=4 291 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Z3409601701 [1,0,0,1,0,0|2,0,0]=4 292 B9R1.179 CCCC1(CC1)C(=O)O Z1205496166 [1,0,0,1,0,0|1,0,0]=3 293 B9R1.179 O=C(O)C1(CC1)CCO Z1321950923 [1,0,0,1,0,0|2,0,0]=4 294 B9R1.2 CC1CC(CCO1)C=O Z1268606322 [1,0,0,1,0,0|2,0,0]=4 295 B9R1.2 CC1CCCC(C1)C=O Z1217182161 [1,0,0,1,0,0|1,0,0]=3 296 B9R1.2 CNC1CCCC(C1)C Z367452444 [1,0,0,1,0,0|1,0,1]=4 297 B9R1.2 O=CC1CCCC(C1)F Z1813182338 [1,0,0,1,0,0|2,0,0]=4 298 B9R1.13 CC(C)CC1CCCN1 Z2301511576 [1,0,0,1,0,0|1,0,1]=4 299 B9R1.13 CN(C)CC1C=CCN1 Z4618517190 [1,0,0,1,0,0|2,0,0]=4 300 B9R1.128 CC(C)OC1(CC1)C=O Z2301377590 [1,0,0,1,0,0|2,0,0]=4 301 B9R1.133 CC1(CCC(C1)C=O)C Z1416223919 [1,0,0,1,0,0|1,0,0]=3 302 B9R1.133 CNC1CCC(C1)(C)C Z1946005329 [1,0,0,1,0,0|1,0,1]=4 303 B9R1.36 CC1CC(NC1=O)(C)C Z1263714376 [1,0,0,1,0,0|1,0,0]=3 304 B9R1.69 CC1CCC(=O)C(C1)C Z854046072 [1,0,0,1,0,0|1,0,0]=3 305 B9R1.69 CC1CCC(C(C1)C)O Z854051758 [1,0,0,1,0,0|1,0,1]=4 306 B9R1.69 CC1CN(CCC1=O)C Z825753356 [1,0,0,1,0,0|2,0,0]=4 307 B9R1.69 CC1CNC(=O)C(C1)C Z1203733670 [1,0,0,1,0,0|1,0,0]=3 308 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [1,0,0,1,0,0|0,0,0]=2 309 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [1,0,0,1,0,0|1,0,0]=3 310 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [1,0,0,1,0,0|0,0,2]=4 311 B9R1.152 CC1(CC(C1)F)C(=O)O Z3211847948 [1,0,0,1,0,0|1,0,0]=3 312 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [1,0,0,1,0,0|0,0,0]=2 313 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [1,0,0,1,0,0|1,0,1]=4 314 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [1,0,0,1,0,0|1,0,0]=3 315 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [1,0,0,1,0,0|1,0,0]=3 316 B9R1.152 NC1CC(C1)(O)C(=O)O Z4445501853 [1,0,0,1,0,0|2,0,0]=4 317 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [1,0,0,1,0,0|0,0,0]=2 318 B9R1.164 CC1(CC(C1)C(=O)O)C Z1198158394 [1,0,0,1,0,0|0,0,0]=2 319 B9R1.164 CC1(CC(C1)C(=O)O)O Z1205497177 [1,0,0,1,0,0|1,0,0]=3 320 B9R1.164 O=C(O)C1CC(C1)(F)F Z316121458 [1,0,0,1,0,0|2,0,0]=4 321 B9R1.169 CC1(CC1(F)F)C(=O)O Z1201624185 [1,0,0,1,0,0|2,0,0]=4 322 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [1,0,0,1,0,0|0,0,0]=2 323 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [0,0,0,1,1,0|1,0,0]=3 324 B9R1.166 CC1(CNC1C(=O)O)C Z2690814529 [0,0,0,1,1,0|0,0,0]=2 325 B9R1.168 CC(C)C1(CC1)C(=O)O Z1205498035 [0,0,0,1,1,0|1,0,0]=3 326 B9R1.168 CN(C)C1(CC1)C(=O)O Z1205494515 [0,0,0,1,1,0|2,0,0]=4 327 B11R1.157 CC(C)CC1CC(=O)CCO1 Z1192341315 [0,0,0,1,0,1|2,0,0]=4 328 B11R1.157 CC1CCCC(C1)CC(=O)O Z352783434 [0,0,0,1,0,1|1,0,0]=3 329 B11R1.157 CC1CNCC(C1)CC(=O)O Z2235790824 [0,0,0,1,0,1|2,0,0]=4 330 B11R1.157 CN1CCCC(C1)CC(=O)O Z2310699362 [0,0,0,1,0,1|2,0,0]=4 331 B11R1.157 C[C@@H]1CCC[C@@H](O1)CC(=O)O Z4946669801 [0,0,0,1,0,1|2,0,0]=4 332 B11R1.157 NC1CCCC(C1)CC(=O)O Z5087190945 [0,0,0,1,0,1|2,0,0]=4 333 B11R1.157 NC1CCOC(C1)CC(=O)O Z4579787506 [0,0,0,1,0,1|2,0,0]=4 334 B11R1.157 O=C(O)CC1CCCC(C1)O Z1262524441 [0,0,0,1,0,1|2,0,0]=4 335 B11R1.710 CC1(CC(CN1)CC(=O)O)C Z3490506320 [0,0,0,1,0,1|2,0,0]=4 336 B11R1.710 CC1(CCN(C1)CC(=O)O)C Z1459996186 [0,0,0,1,0,1|2,0,0]=4 337 B11R1.710 CC1(CNC(C1)CC(=O)O)C Z3186442614 [0,0,0,1,0,1|0,0,0]=2 338 B11R1.710 O=C(O)C[C@@H]1CC(CN1)(F)F Z4777922022 [0,0,0,1,0,1|2,0,0]=4 339 B11R1.90 CC(C)CCC1CCCC1=O Z813018302 [0,0,0,1,0,1|2,0,0]=4 340 B11R1.166 CC1CC(C(CN1)C(=O)O)C Z3213439686 [0,0,0,1,0,1|1,0,0]=3 341 B11R1.166 CC1CCC(C(N1)C)C(=O)O Z2379448768 [0,0,0,1,0,1|2,0,0]=4 342 B11R1.166 CC1CNC(C(C1)C)C(=O)O Z3251990496 [0,0,0,1,0,1|1,0,0]=3 343 B11R1.166 CC1CNC(C(O1)C)C(=O)O Z2380417725 [0,0,0,1,0,1|2,0,0]=4 344 B11R1.166 CN1CC(CCC1C(=O)O)N Z4383496345 [0,0,0,1,0,1|1,0,0]=3 345 B11R1.166 C[C@H]1CNC([C@H](O1)C)C(=O)O Z4685707855 [0,0,0,1,0,1|2,0,0]=4 346 B11R1.175 CN(C)[C@@H]1CC[C@@H](C1)C(=O)O Z4129693343 [0,0,0,1,0,1|2,0,0]=4 347 B11R1.565 NC1CCCC(CC1)C(=O)O Z3478634516 [0,0,0,1,0,1|2,0,0]=4 348 B11R1.727 CC1(CCC(CC1)C(=O)O)C Z1227600825 [0,0,0,1,0,1|1,0,0]=3 349 B11R1.727 CC1(CCC(CC1)C(=O)O)O Z1255462988 [0,0,0,1,0,1|2,0,0]=4 350 B11R1.727 CC1(CCC(CN1)C(=O)N)C Z5093991254 [0,0,0,1,0,1|2,0,0]=4 351 B11R1.727 CC1(CCC(CN1)C(=O)O)C Z4986317694 [0,0,0,1,0,1|1,0,0]=3 352 B11R1.727 CC1(CNC(CO1)C(=O)O)C Z1255416501 [0,0,0,1,0,1|0,0,0]=2 353 B11R1.727 CC1(COC(CN1)C(=O)O)C Z3485466720 [0,0,0,1,0,1|1,0,0]=3 354 B11R1.727 C[C@@]1(CC[C@@H](CC1)C(=O)O)O Z1262519032 [0,0,0,1,0,1|2,0,0]=4 355 B11R1.727 C[C@@]1(CC[C@H](CC1)C(=O)O)F Z3772394552 [0,0,0,1,0,1|2,0,0]=4 356 B11R1.727 C[C@@]1(CC[C@H](CC1)C(=O)O)O Z1262516380 [0,0,0,1,0,1|2,0,0]=4 357 B11R1.1391 CN(C)CCC1(CC1)C(=O)O Z3417039454 [0,0,0,1,0,1|2,0,0]=4 358 B11R1.74 CC(=O)C1CC(CC(C1)C)C Z1250005092 [0,1,0,1,0,0|2,0,0]=4 359 B11R1.74 CC1CC(CC(C1)C(=O)O)C Z1249998224 [0,1,0,1,0,0|1,0,0]=3 360 B11R1.74 CC1CN(CC(O1)C(=O)O)C Z2512632675 [0,1,0,1,0,0|1,0,0]=3 361 B11R1.74 CC1CS(=O)CC(N1)C(=O)O Z4053136472 [0,1,0,1,0,0|2,0,0]=4 362 B11R1.74 C[C@@H]1CN(C[C@@H](O1)C(=O)O)C Z2647353831 [0,1,0,1,0,0|1,0,0]=3 363 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,1,0,1,0,0|0,0,1]=3 364 B11R1.74 C[C@H]1CC(C[C@H](O1)C)C(=O)O Z2733317950 [0,1,0,1,0,0|2,0,0]=4 365 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C(=O)O)C Z2507795569 [0,1,0,1,0,0|0,0,0]=2 366 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C)C(=O)O Z2688995654 [0,1,0,1,0,0|2,0,0]=4 367 B11R1.74 C[C@H]1C[C@H](C[C@H](O1)C)C(=O)O Z2894292333 [0,1,0,1,0,0|2,0,0]=4 368 B11R1.86 CC(C)CC1CNCCC1O Z5041247022 [0,1,0,1,0,0|1,0,1]=4 369 B11R1.108 CC(C)C1NC(=O)C1C(C)C Z1509245657 [0,1,0,1,0,0|2,0,0]=4 370 B11R1.178 CC(C)C1NCCC1C(=O)O Z2065788419 [0,1,0,1,0,0|1,0,0]=3 371 B11R1.178 CC(C)N1CCCC1C(=O)O Z424762070 [0,1,0,1,0,0|2,0,0]=4 372 B11R1.178 CC(C)[C@@H]1CCO[C@@H]1C(=O)O Z2310169937 [0,1,0,1,0,0|1,0,0]=3 373 B11R1.178 CC(C)[C@@H]1CNC[C@H]1C(=O)O Z2307018221 [0,1,0,1,0,0|0,0,0]=2 374 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(F)F Z2307327965 [0,1,0,1,0,0|2,0,0]=4 375 B11R1.730 CC1(CC(CCN1)C(=O)O)C Z3717120914 [0,1,0,1,0,0|1,0,0]=3 376 B11R1.730 CC1(CC(CCO1)C(=O)O)C Z1192344101 [0,1,0,1,0,0|1,0,0]=3 377 B11R1.730 CC1(CCCC(C1)C(=O)O)C Z1229795777 [0,1,0,1,0,0|1,0,0]=3 378 B11R1.730 CC1(CCCC(O1)C(=O)O)C Z1836444615 [0,1,0,1,0,0|2,0,0]=4 379 B11R1.730 CC1(CCNC(C1)C(=O)O)C Z2306604258 [0,1,0,1,0,0|0,0,0]=2 380 B11R1.730 CC1(CNCC(C1)C(=O)O)C Z3753017050 [0,1,0,1,0,0|0,0,0]=2 381 B11R1.730 CC1(CNCC(O1)C(=O)O)C Z3477046674 [0,1,0,1,0,0|1,0,0]=3 382 B11R1.730 CC1(COCC(N1)C(=O)O)C Z1739253890 [0,1,0,1,0,0|2,0,0]=4 383 B11R1.730 O=C(O)C1CC(CCN1)(F)F Z2311245126 [0,1,0,1,0,0|1,0,0]=3 384 B11R1.730 O=C(O)C1CCCC(C1)(F)F Z1222424911 [0,1,0,1,0,0|2,0,0]=4 385 B11R1.730 O=C(O)C1CNCC(C1)(F)F Z3301405365 [0,1,0,1,0,0|2,0,0]=4 386 B11R1.730 O=C(O)C1CS(=O)(=O)CCN1 Z1762997260 [0,1,0,1,0,0|2,0,0]=4 387 B11R1.782 CSCC1(CC(C1)N)C(=O)O Z5144870349 [0,1,0,1,0,0|2,0,0]=4 388 B11R1.806 COCC(NC1CC1)C(=O)O Z1824511453 [0,1,0,1,0,0|2,0,0]=4 389 B11R1.929 CC(C)CC1(CCC1)C(=O)O Z1255468300 [0,1,0,1,0,0|1,0,0]=3 390 B11R1.21 CC1=C(CC(CC1)C(=O)O)C Z1198156483 [0,1,0,1,0,0|1,0,1]=4 391 B11R1.21 CC1CC(CCC1=O)C(=O)O Z1262513284 [0,1,0,1,0,0|1,0,1]=4 392 B11R1.21 CC1CCC(CC1C)C(=O)O Z1250017822 [0,1,0,1,0,0|1,0,0]=3 393 B11R1.21 CC1CCC(CC1N)C(=O)O Z1262537169 [0,1,0,1,0,0|2,0,0]=4 394 B11R1.21 CC1CCC(NC1C)C(=O)O Z2350909288 [0,1,0,1,0,0|2,0,0]=4 395 B11R1.21 CN1CC(NCC1=O)C(=O)O Z3004727554 [0,1,0,1,0,0|1,0,1]=4 396 B11R1.21 C[C@@H]1CN[C@@H](C[C@@H]1C)C(=O)O Z4076052338 [0,1,0,1,0,0|0,0,0]=2 397 B11R1.21 C[C@@H]1C[C@@H](CCN1C)C(=O)O Z2309899010 [0,1,0,1,0,0|1,0,0]=3 398 B11R1.21 NC1CC(CCC1O)C(=O)O Z4296875227 [0,1,0,1,0,0|2,0,0]=4 399 B11R1.21 O=C(O)[C@H]1C[C@@H]([C@@H](CO1)O)O Z3664725069 [0,1,0,1,0,0|2,0,0]=4 400 B11R1.167 CC1CC(C(CN1)C)C(=O)O Z3214138136 [0,1,0,1,0,0|1,0,0]=3 401 B11R1.167 CC1CCC(C(N1)C(=O)O)C Z4075226032 [0,1,0,1,0,0|2,0,0]=4 402 B11R1.266 CCC1CC(CCO1)C(=O)O Z1192344099 [0,1,0,1,0,0|2,0,0]=4 403 B11R1.266 CCC1CCCC(N1)C(=O)O Z1612958646 [0,1,0,1,0,0|2,0,0]=4 404 B11R1.266 CCN1CCCC(C1)C(=O)O Z763029984 [0,1,0,1,0,0|2,0,0]=4 405 B11R1.266 CCN1CCOC(C1)C(=O)O Z1459939099 [0,1,0,1,0,0|2,0,0]=4 406 B11R1.266 COC1CCCC(C1)C(=O)O Z1192182025 [0,1,0,1,0,0|1,0,0]=3 407 B11R1.266 COC1CCNC(C1)C(=O)O Z2768171860 [0,1,0,1,0,0|0,0,0]=2 408 B11R1.266 COC1CNCC(C1)C(=O)O Z5209028633 [0,1,0,1,0,0|2,0,0]=4 409 B11R1.266 N#CC1CCCC(C1)C(=O)O Z1515406065 [0,1,0,1,0,0|1,0,1]=4 410 B11R1.266 N#C[C@H]1CCC[C@H](C1)C(=O)O Z4790589241 [0,1,0,1,0,0|1,0,1]=4 411 B11R1.266 NCC1CC(CCO1)C(=O)O Z5712882945 [0,1,0,1,0,0|2,0,0]=4 412 B11R1.417 NC[C@]1(CC[C@@H](C1)C(=O)O)F Z3682735312 [0,1,0,1,0,0|2,0,0]=4 413 B11R1.417 NC[C@]1(CC[C@H](C1)C(=O)O)F Z3717955439 [0,1,0,1,0,0|2,0,0]=4 414 B11R1.23 CC1CCCN(C1)C(=O)CO Z228585534 [0,1,0,1,0,0|2,0,0]=4 415 B11R1.23 COC(=O)C1CC(CCN1)C Z1723897915 [0,1,0,1,0,0|0,0,0]=2 416 B11R1.23 COC(=O)C1CCCC(C1)O Z1255439712 [0,1,0,1,0,0|2,0,0]=4 417 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N Z2306922211 [0,1,0,1,0,0|2,0,0]=4 418 B11R1.23 COC(=O)[C@@H]1CCN[C@@H](C1)C Z2309778197 [0,1,0,1,0,0|2,0,0]=4 419 B11R1.225 COC(=O)C1CC(CN1C)O Z2940632313 [0,1,0,1,0,0|1,0,0]=3 420 B11R1.866 CNC(=O)C1CC(CN1)(C)C Z5607959291 [0,1,0,1,0,0|1,0,0]=3 421 B11R1.866 COC(=O)C1CC(CN1)(C)C Z1509063438 [0,1,0,1,0,0|0,0,0]=2 422 B11R1.866 COC(=O)C1CNC(C1)(C)C Z3502435344 [0,1,0,1,0,0|2,0,0]=4 423 B11R1.884 COC(=O)C1(CC(C1)C)C#N Z1209445849 [0,1,0,1,0,0|2,0,0]=4 424 B11R1.884 COC(=O)C1(CC(C1)N)SC Z5185825546 [0,1,0,1,0,0|2,0,0]=4 425 B11R1.159 O=C(O)[C@H]1NCC[C@H]([C@H]1O)O Z4130211458 [0,1,0,1,0,0|1,0,0]=3 426 B11R1.488 CN1CC(CC1C(=O)O)(C)C Z3325036964 [0,1,0,1,0,0|0,0,0]=2 427 B11R1.731 CC(C)(C)N1CCC1C(=O)O Z1201622156 [0,1,0,1,0,0|2,0,0]=4 428 B11R1.667 CC1(CC(CCO1)N)C(=O)O Z2830783135 [0,1,0,1,0,0|2,0,0]=4 429 B11R1.667 CC1CC(CCO1)(C)C(=O)O Z2690351087 [0,1,0,1,0,0|2,0,0]=4 430 B11R1.667 CC1CC(CCO1)(N)C(=O)O Z3006084661 [0,1,0,1,0,0|2,0,0]=4 431 B11R1.667 CC1CCCC(C1)(N)C(=O)O Z317024768 [0,1,0,1,0,0|1,0,0]=3 432 B11R1.738 CC1(CC(CN1)(C)C(=O)O)C Z4456655366 [0,1,0,1,0,0|2,0,0]=4 433 B11R1.738 CC1(CC(CN1)(F)F)C(=O)O Z2311245115 [0,1,0,1,0,0|2,0,0]=4 434 B11R1.581 CC1CC(C1)(C(=O)O)C(=O)O Z1262516283 [0,1,0,1,0,0|2,0,0]=4 435 B11R1.1381 O=C(O)C(CC1CC1)C(=O)O Z1198161252 [0,1,0,1,0,0|2,0,0]=4 436 B11R2.357 O=C1CCC2CCNC1C2 Z3013817851 [0,0,0,2,0,0|1,0,0]=3 437 B11R2.357 OC1CCC2CCNC1C2 Z2238768422 [0,0,0,2,0,0|1,0,1]=4 438 B11R2.357 O[C@@H]1CC[C@H]2CCN[C@H]1C2 Z3063687175 [0,0,0,2,0,0|1,0,1]=4 439 B11R2.612 N[C@@H]1C[C@@H]([C@@H]2[C@H]1C2)C(=O)O Z2896140319 [0,0,0,2,0,0|2,0,0]=4 440 B11R2.840 NC12CC(C1)CC2C(=O)O Z5935014615 [0,0,0,2,0,0|2,0,0]=4 441 B11R2.845 CC(=O)C1CC2CCC1C2 Z1386913059 [0,0,0,2,0,0|2,0,0]=4 442 B11R2.845 O=C(O)C1CC2CCC1C2 Z147433488 [0,0,0,2,0,0|1,0,0]=3 443 B11R2.845 O=C(O)C1CC2CCC1N2 Z2899600133 [0,0,0,2,0,0|2,0,0]=4 444 B11R2.845 O=C(O)C1CN2CCC1C2 Z1262558196 [0,0,0,2,0,0|2,0,0]=4 445 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 Z3301415369 [0,0,0,2,0,0|2,0,0]=4 446 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 Z1197865945 [0,0,0,2,0,0|2,0,0]=4 447 B11R2.115 O=C1NCCC1CC2CC2 Z1255439551 [0,0,0,2,0,0|2,0,0]=4 448 B11R2.818 C[C@@]12CNC[C@@]1(C2)C(=O)O Z4120110312 [0,0,0,2,0,0|2,0,0]=4 449 B11R2.839 O=C(O)C1CCC2CC2C1 Z1509040982 [0,0,0,2,0,0|1,0,0]=3 450 B11R2.1826 O=C(O)C12CNCC(C1)C2 Z3244821611 [0,0,0,2,0,0|2,0,0]=4 451 B11R2.2454 CC12CNC(C1)(C2)C(=O)O Z2517220205 [0,0,0,2,0,0|0,0,0]=2 452 B11R2.2454 O=C(O)C12CC(C1)(CO2)Cl Z5479974706 [0,0,0,2,0,0|2,0,0]=4 453 B11R2.1868 O=C(O)C1CC2(CC2)CO1 Z2432627355 [0,0,0,2,0,0|1,0,0]=3 454 B11R2.1868 O=C(O)C1CCC2(C1)CC2 Z1205498074 [0,0,0,2,0,0|1,0,0]=3 455 B11R2.1868 O=C(O)C1CCC2(N1)CC2 Z4655556783 [0,0,0,2,0,0|2,0,0]=4 456 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [1,0,0,0,1,0|2,0,0]=4 457 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [1,0,0,0,1,0|1,0,0]=3 458 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [1,0,0,0,1,0|0,0,0]=2 459 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [1,0,0,0,1,0|1,0,0]=3 460 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [1,0,0,0,1,0|1,0,0]=3 461 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [1,0,0,0,1,0|0,0,0]=2 462 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [1,0,0,0,1,0|1,0,0]=3 463 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [1,0,0,0,1,0|1,0,0]=3 464 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [1,0,0,0,1,0|0,0,0]=2 465 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [1,0,0,0,1,0|0,0,0]=2 466 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [1,0,0,0,1,0|1,0,0]=3 467 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [1,0,0,0,1,0|1,0,0]=3 468 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [1,0,0,0,1,0|1,0,0]=3 469 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [1,0,0,0,1,0|1,0,0]=3 470 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [1,0,0,0,1,0|1,0,0]=3 471 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [1,0,0,0,1,0|1,0,0]=3 472 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [1,0,0,0,1,0|1,0,0]=3 473 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [1,0,0,0,0,1|0,0,1]=3 474 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [1,0,0,0,0,1|1,0,1]=4 475 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [1,0,0,0,0,1|0,0,0]=2 476 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [1,0,0,0,0,1|0,0,0]=2 477 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [1,0,0,0,0,1|1,0,0]=3 478 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [1,0,0,0,0,1|2,0,0]=4 479 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [1,0,0,0,0,1|0,0,0]=2 480 B9R0.53 CC(C)CC(C)CC(C)O Z1238571962 [1,0,0,0,0,1|1,0,1]=4 481 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [1,0,0,0,0,1|0,0,0]=2 482 B9R0.53 CC(CC(=O)O)CN(C)C Z2824350104 [1,0,0,0,0,1|1,0,0]=3