0 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.47 C=CCCOC(C)C(=O)O Z362807908 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.47 CC(CSCCN)C(=O)O Z2379806326 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,0,0,0,0,0|2,0,0]=2 9 B9R0.47 COCCOC(C)C(=O)O Z316259198 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.47 NCC#CCC(N)C(=O)O Z1650644415 [0,0,0,0,0,0|1,0,3]=4 12 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,0,0,0,0,0|1,0,1]=2 13 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,0,0,0,0,0|1,0,1]=2 14 B8R0.7 C#CCCNCC(=O)O Z4916843541 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.7 C#CCCOCC(=O)O Z1205655947 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.7 C#CCOCCC(=O)O Z362807240 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.7 C=CCCOCC(=O)O Z362807886 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.7 C=CCNCCC(=O)O Z3388124649 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.7 CC#CCCCC(=O)O Z1205494323 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.7 CC(=O)CCCCC#N Z2350907379 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.7 CCCCCCC(=O)O Z104474412 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.7 CCCCOCC(=O)O Z409190912 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.7 CCCCSCC(=O)O Z239951532 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.7 CCOCCCC(=O)O Z316258950 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.7 COCCCCC(=O)O Z362633826 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.7 COCCNCC(=O)O Z1276446903 [1,0,0,0,0,0|3,0,0]=4 30 B8R0.7 COCCOCC(=O)O Z104477918 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.7 COCCSCC(=O)O Z167837764 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.7 CSCCCCC(=O)O Z732206636 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.7 CSCCNCC(=O)O Z2512524162 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.7 N#CCCSCC(=O)O Z1205494587 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,0,0,0,0,0|1,0,1]=3 36 B8R0.7 NCCCOCC(=O)O Z3178895188 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.7 NCCOCCC(=O)O Z1262546494 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,0,0,0,0,0|1,0,1]=3 39 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,0,0,0,0,0|1,0,1]=3 40 B8R0.7 O=C(O)CCNCCO Z53116574 [1,0,0,0,0,0|1,0,2]=4 41 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [1,0,0,0,0,0|1,0,1]=3 42 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [1,0,0,0,0,0|0,0,1]=2 43 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [1,0,0,0,0,0|0,0,3]=4 45 B8R0.8 CCCCC(C)C(=O)C Z727719632 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,0,0,0,0,0|1,0,1]=3 47 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,0,0,0,0,0|0,0,1]=2 48 B8R0.8 CCCCC(N)C(C)O Z2453175125 [1,0,0,0,0,0|1,0,2]=4 49 B8R0.8 CCCCC(O)C(=O)O Z803065156 [1,0,0,0,0,0|1,0,1]=3 50 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,0,0,0,0,0|0,0,1]=2 51 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,0,0,0,0,0|0,0,1]=2 52 B8R0.8 CCOCC(C)C(=O)O Z431541098 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [1,0,0,0,0,0|1,0,1]=3 54 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,0,0,0,0,0|1,0,1]=3 56 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,0,0,0,0,0|1,0,1]=3 57 B8R0.8 CSCCC(O)C(=O)O Z788000926 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,0,0,0,0,0|1,0,1]=3 59 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,0,0,0,0,0|1,0,1]=3 60 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.8 NCCCC(N)C(=O)O Z104476736 [1,0,0,0,0,0|1,0,0]=2 62 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [1,0,0,0,0,0|1,0,0]=2 63 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [1,0,0,0,0,0|1,0,0]=2 64 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [1,0,0,0,0,0|2,0,0]=3 65 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [1,0,0,0,0,0|1,0,2]=4 66 B10R0.26 CCCC(C)CC(N)C(=O)O Z970064328 [0,1,0,0,0,0|1,0,1]=3 67 B10R0.42 CCCCCC(C)(C)C(=O)O Z995179614 [0,1,0,0,0,0|2,0,1]=4 68 B10R0.75 CCCCCCC(C)C(=O)O Z756390482 [0,1,0,0,0,0|2,0,1]=4 69 B10R0.75 NCCCSCC(N)C(=O)O Z2065464260 [0,1,0,0,0,0|1,0,1]=3 70 B10R0.75 N[C@@H](CSSCCO)C(=O)O Z1198169002 [0,1,0,0,0,0|1,0,2]=4 71 B10R0.81 CCCCC(N)C(O)C(=O)O Z1238572379 [0,1,0,0,0,0|2,0,1]=4 72 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,1,0,0,0,0|2,0,1]=4 73 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,1,0,0,0,0|2,0,1]=4 74 B10R0.83 CCCCCC(N)C(=O)OC Z1398461596 [0,1,0,0,0,0|1,0,1]=3 75 B10R0.83 CCCCCC(O)C(=O)OC Z965047444 [0,1,0,0,0,0|2,0,1]=4 76 B10R0.86 CCCCCC(CC)C(=O)O Z756391304 [0,1,0,0,0,0|2,0,1]=4 77 B10R0.98 CC(C)C(N)CCCC(=O)O Z4573099344 [0,1,0,0,0,0|2,0,1]=4 78 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,1,0,0,0,0|1,0,1]=3 79 B10R0.98 CC(N)CCCC(C)C(=O)O Z1258848487 [0,1,0,0,0,0|2,0,1]=4 80 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,1,0,0,0,0|1,0,0]=2 81 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,1,0,0,0,0|0,0,0]=1 82 B10R1.23 CC(C(=O)O)C1CCCC1 Z993955140 [0,0,0,1,0,0|2,0,1]=4 83 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [0,0,0,1,0,0|1,0,1]=3 84 B10R1.23 O=C(O)C(O)C1CCCC1 Z941196766 [0,0,0,1,0,0|2,0,1]=4 85 B10R1.23 O=C(O)C(O)C1CCNC1 Z1203819582 [0,0,0,1,0,0|3,0,0]=4 86 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O Z5870110869 [0,0,0,1,0,0|1,0,1]=3 87 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,0,0,1,0,0|1,0,1]=3 88 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,0,0,1,0,0|2,0,1]=4 89 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,0,0,1,0,0|3,0,0]=4 90 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,0,0,1,0,0|2,0,1]=4 91 B10R1.113 CC(C)C1CCCC(=O)N1 Z1203748309 [0,0,0,1,0,0|2,0,1]=4 92 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,0,0,1,0,0|2,0,1]=4 93 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,0,0,1,0,0|2,0,1]=4 94 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,0,0,1,0,0|2,0,1]=4 95 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,0,0,1,0,0|3,0,0]=4 96 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,0,0,1,0,0|1,0,1]=3 97 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,0,0,1,0,0|2,0,1]=4 98 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,0,0,1,0,0|2,0,1]=4 99 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,0,0,1,0,0|2,0,1]=4 100 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,0,0,1,0,0|1,0,2]=4 101 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,0,0,1,0,0|2,0,0]=3 102 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,0,0,1,0,0|0,0,0]=1 103 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,0,0,1,0,0|1,0,0]=2 104 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,0,0,1,0,0|1,0,0]=2 105 B10R1.204 NC(CC1CCC1)C(=O)O Z2306604307 [0,0,0,1,0,0|1,0,1]=3 106 B10R1.291 CC1(CCNC1=O)C(=O)O Z2034558836 [0,0,0,1,0,0|2,0,0]=3 107 B10R1.291 CC1CCCC1(C)C(=O)O Z1205495850 [0,0,0,1,0,0|2,0,1]=4 108 B10R1.291 CC1CCCC1(N)C(=O)N Z1258614045 [0,0,0,1,0,0|2,0,1]=4 109 B10R1.291 CC1CCCC1(N)C(=O)O Z3037488514 [0,0,0,1,0,0|1,0,1]=3 110 B10R1.348 O=C(O)C1CCC=CCC1 Z447899262 [0,0,0,1,0,0|2,0,1]=4 111 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,0,0,1,0,0|1,0,1]=3 112 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,0,0,1,0,0|2,0,1]=4 113 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,0,0,1,0,0|3,0,0]=4 114 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,0,0,1,0,0|2,0,1]=4 115 B10R1.363 CC(=O)C1(CCCCC1)N Z2106606026 [0,0,0,1,0,0|2,0,1]=4 116 B10R1.363 CC1(C=CCCC1)C(=O)O Z1205494611 [0,0,0,1,0,0|2,0,0]=3 117 B10R1.363 CC1(C=CCCN1)C(=O)O Z4648131040 [0,0,0,1,0,0|3,0,0]=4 118 B10R1.363 CC1(CC=CCC1)C(=O)O Z1198158411 [0,0,0,1,0,0|2,0,1]=4 119 B10R1.363 CC1(CCCCC1)C(=O)O Z995180964 [0,0,0,1,0,0|2,0,1]=4 120 B10R1.363 CC1(CCCCN1)C(=O)O Z1623864156 [0,0,0,1,0,0|2,0,1]=4 121 B10R1.363 CC1(CCCCO1)C(=O)O Z1198235237 [0,0,0,1,0,0|1,0,2]=4 122 B10R1.363 CC1(CCCNC1)C(=O)O Z1262691675 [0,0,0,1,0,0|3,0,0]=4 123 B10R1.363 CC1(CCCOC1)C(=O)O Z1079130408 [0,0,0,1,0,0|3,0,0]=4 124 B10R1.363 NC(=O)C1(CCCCC1)N Z426041556 [0,0,0,1,0,0|2,0,1]=4 125 B10R1.363 NC(=O)C1(CCCNC1)N Z3172933410 [0,0,0,1,0,0|3,0,0]=4 126 B10R1.363 NC1(CCCNC1)C(=O)O Z2509346558 [0,0,0,1,0,0|2,0,0]=3 127 B10R1.363 NC1(CCCOC1)C(=O)O Z3719007739 [0,0,0,1,0,0|2,0,0]=3 128 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [0,0,0,1,0,0|2,0,0]=3 129 B10R1.363 NC1(CCNCC1)C(=O)O Z1255490001 [0,0,0,1,0,0|2,0,1]=4 130 B10R1.363 NC1(CCOCC1)C(=O)O Z440604890 [0,0,0,1,0,0|2,0,1]=4 131 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [0,0,0,1,0,0|2,0,1]=4 132 B10R1.363 O=C(O)C1(CCCCC1)O Z220542624 [0,0,0,1,0,0|2,0,1]=4 133 B10R1.363 O=C(O)C1(CCCNC1)O Z2738500676 [0,0,0,1,0,0|3,0,0]=4 134 B10R1.363 O=C(O)C1(CCCOC1)F Z3243070298 [0,0,0,1,0,0|3,0,0]=4 135 B10R0.6 CCCCCC(C)CC(=O)O Z1198151370 [0,0,0,0,0,1|2,0,1]=4 136 B10R0.6 CCCCCC(O)CC(=O)O Z982131990 [0,0,0,0,0,1|2,0,1]=4 137 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|0,0,1]=3 138 B7R0.4 C=CCNCC(=O)O Z803145546 [2,0,0,0,0,0|1,0,1]=4 139 B7R0.4 C=CCOCC(=O)O Z362807794 [2,0,0,0,0,0|1,0,1]=4 140 B7R0.4 C=CCSCC(=O)O Z149151274 [2,0,0,0,0,0|1,0,1]=4 141 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|0,0,1]=3 142 B7R0.4 CCCNCC(=O)O Z744582718 [2,0,0,0,0,0|1,0,1]=4 143 B7R0.4 CCCOCC(=O)O Z406677750 [2,0,0,0,0,0|1,0,1]=4 144 B7R0.4 CCCSCC(=O)O Z228425458 [2,0,0,0,0,0|1,0,1]=4 145 B7R0.4 CCNCCC(=O)O Z1869802098 [2,0,0,0,0,0|1,0,1]=4 146 B7R0.4 CCOCCC(=O)O Z316258938 [2,0,0,0,0,0|1,0,1]=4 147 B7R0.4 CCSCCC(=O)O Z197206046 [2,0,0,0,0,0|1,0,1]=4 148 B7R0.4 CNCCCC(=O)O Z57043473 [2,0,0,0,0,0|1,0,1]=4 149 B7R0.4 COCCCC(=O)O Z316258912 [2,0,0,0,0,0|1,0,1]=4 150 B7R0.4 CSCCCC(=O)O Z54602911 [2,0,0,0,0,0|1,0,1]=4 151 B7R0.4 N#CCCCC(=O)O Z1198152304 [2,0,0,0,0,0|1,0,1]=4 152 B7R0.4 NCCCCC(=O)N Z1639630947 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.4 NCCCCC(=O)O Z271111992 [2,0,0,0,0,0|1,0,0]=3 154 B7R0.4 NCCNCC(=O)O Z2692249907 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.4 NCCOCC(=O)O Z1650039500 [2,0,0,0,0,0|2,0,0]=4 156 B7R0.4 NCCSCC(=O)O Z1381287295 [2,0,0,0,0,0|2,0,0]=4 157 B7R0.4 O=C(O)CCCCBr Z104479696 [2,0,0,0,0,0|1,0,0]=3 158 B7R0.4 O=C(O)CCCCS Z808230828 [2,0,0,0,0,0|0,1,0]=3 159 B7R0.4 O=C(O)CNCCO Z425411352 [2,0,0,0,0,0|1,0,1]=4 160 B7R0.4 O=C([O-])CCCCO Z2335631573 [2,0,0,0,0,0|0,0,2]=4 161 B7R0.5 C=CCC(N)C(=O)O Z317024964 [2,0,0,0,0,0|0,0,1]=3 162 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [2,0,0,0,0,0|0,0,1]=3 163 B7R0.5 CC(CCN)C(=O)O Z2298167292 [2,0,0,0,0,0|2,0,0]=4 164 B7R0.5 CC(NC=O)C(=O)O Z56757230 [2,0,0,0,0,0|2,0,0]=4 165 B7R0.5 CCCC(C)C(=O)O Z104477112 [2,0,0,0,0,0|1,0,0]=3 166 B7R0.5 CCCC(N)C(=O)O Z317024724 [2,0,0,0,0,0|0,0,0]=2 167 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [2,0,0,0,0,0|0,0,0]=2 168 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [2,0,0,0,0,0|0,0,0]=2 169 B7R0.5 CCNC(C)C(=O)O Z3181996310 [2,0,0,0,0,0|2,0,0]=4 170 B7R0.5 CCOC(C)C(=O)O Z316258934 [2,0,0,0,0,0|2,0,0]=4 171 B7R0.5 CNCC(C)C(=O)O Z1270387301 [2,0,0,0,0,0|2,0,0]=4 172 B7R0.5 COCC(C)C(=O)O Z431541094 [2,0,0,0,0,0|2,0,0]=4 173 B7R0.5 COCC(N)C(=O)O Z1613478163 [2,0,0,0,0,0|1,0,0]=3 174 B7R0.5 CSCC(C)C(=O)O Z732206684 [2,0,0,0,0,0|2,0,0]=4 175 B7R0.5 CSCC(N)C(=O)O Z317025996 [2,0,0,0,0,0|1,0,0]=3 176 B7R0.5 NC(CCF)C(=O)O Z2470036329 [2,0,0,0,0,0|1,0,0]=3 177 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|0,0,1]=3 178 B7R0.5 NCCC(F)C(=O)O Z3235903750 [2,0,0,0,0,0|2,0,0]=4 179 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [2,0,0,0,0,0|1,0,0]=3 180 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [2,0,0,0,0,0|2,0,0]=4 181 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|0,0,1]=3 182 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|0,0,1]=3 183 B9R0.2 C#CCCCCCC(=O)O Z1205493707 [1,1,0,0,0,0|1,0,1]=4 184 B9R0.2 C=CCOCCCC(=O)O Z362807808 [1,1,0,0,0,0|1,0,0]=3 185 B9R0.2 CCCCCCCC(=O)O Z104495238 [1,1,0,0,0,0|1,0,1]=4 186 B9R0.2 CCCCCOCC(=O)O Z409357548 [1,1,0,0,0,0|1,0,1]=4 187 B9R0.2 CCCCSCCC(=O)O Z149304844 [1,1,0,0,0,0|1,0,1]=4 188 B9R0.2 CCNCCCCC(=O)O Z2893830564 [1,1,0,0,0,0|1,0,1]=4 189 B9R0.2 COCCNCCC(=O)O Z53116030 [1,1,0,0,0,0|2,0,0]=4 190 B9R0.2 COCCOCCC(=O)O Z316259200 [1,1,0,0,0,0|2,0,0]=4 191 B9R0.2 NCCCCCCC(=O)O Z56896351 [1,1,0,0,0,0|1,0,1]=4 192 B9R0.2 NCCOCCCC(=O)O Z5080450038 [1,1,0,0,0,0|1,0,1]=4 193 B9R0.2 O=C(O)CCNCCCO Z53116999 [1,1,0,0,0,0|0,0,2]=4 194 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [1,1,0,0,0,0|1,0,1]=4 195 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [1,1,0,0,0,0|1,0,1]=4 196 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [1,1,0,0,0,0|2,0,0]=4 197 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [1,1,0,0,0,0|0,0,0]=2 198 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [1,1,0,0,0,0|1,0,0]=3 199 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [1,1,0,0,0,0|1,0,0]=3 200 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [1,1,0,0,0,0|0,0,0]=2 201 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [1,1,0,0,0,0|0,0,1]=3 202 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [1,1,0,0,0,0|1,0,1]=4 203 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [1,1,0,0,0,0|0,0,0]=2 204 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [1,1,0,0,0,0|0,0,1]=3 205 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [1,1,0,0,0,0|1,0,0]=3 206 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [1,1,0,0,0,0|0,0,0]=2 207 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [1,1,0,0,0,0|0,0,0]=2 208 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [1,1,0,0,0,0|0,0,0]=2 209 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [1,1,0,0,0,0|0,0,0]=2 210 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [1,1,0,0,0,0|0,0,0]=2 211 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [1,1,0,0,0,0|0,0,0]=2 212 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [1,1,0,0,0,0|1,0,1]=4 213 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [1,1,0,0,0,0|1,0,1]=4 214 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [1,1,0,0,0,0|1,0,1]=4 215 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [1,1,0,0,0,0|0,0,2]=4 216 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [1,1,0,0,0,0|0,0,1]=3 217 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [1,1,0,0,0,0|1,0,1]=4 218 B9R0.51 CC(C)(CCCN)C(=O)O Z1516115695 [1,1,0,0,0,0|2,0,0]=4 219 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [1,1,0,0,0,0|1,0,1]=4 220 B11R0.163 CCCCS(=O)C[C@H](N)C(=O)O Z1198151261 [0,2,0,0,0,0|1,0,1]=4 221 B11R0.125 CCCCCCC(C)(N)C(=O)O Z362825342 [0,2,0,0,0,0|1,0,1]=4 222 B11R0.202 CN(C)CCCC(C)(N)C(=O)O Z2418411247 [0,2,0,0,0,0|2,0,0]=4 223 B11R0.29 CC(=CCSCC(N)C(=O)O)C Z317025846 [0,2,0,0,0,0|1,0,1]=4 224 B11R0.29 CC(=CCSC[C@H](N)C(=O)O)C Z760035506 [0,2,0,0,0,0|1,0,1]=4 225 B11R0.29 CC(=O)C(C)CCCCC(=O)O Z1262513809 [0,2,0,0,0,0|2,0,0]=4 226 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O Z3661982306 [0,2,0,0,0,0|0,0,0]=2 227 B11R0.29 N=C(N)NCCCC(N)C(=O)O Z56896349 [0,2,0,0,0,0|1,0,0]=3 228 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Z1201618596 [0,2,0,0,0,0|1,0,0]=3 229 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Z1143220275 [0,2,0,0,0,0|1,0,0]=3 230 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Z1255438848 [0,2,0,0,0,0|0,0,0]=2 231 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Z1198149761 [0,2,0,0,0,0|0,0,0]=2 232 B11R0.42 C#CCCCCCC(N)C(=O)O Z4920921873 [0,2,0,0,0,0|1,0,1]=4 233 B11R0.76 CCCCCCC(NC)C(=O)O Z446011802 [0,2,0,0,0,0|1,0,1]=4 234 B11R0.150 CC(SC[C@H](N)C(=O)O)C(=O)O Z4607373725 [0,2,0,0,0,0|1,0,0]=3 235 B11R0.145 COC(=O)N(C)CCCC(=O)O Z382705220 [0,2,0,0,0,0|2,0,0]=4 236 B9R1.2 COC1CCCC(=O)N1 Z1203731823 [1,0,0,1,0,0|2,0,0]=4 237 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [1,0,0,1,0,0|0,0,1]=3 238 B9R1.2 O=C1CNC[C@@H](N1)CO Z1203822229 [1,0,0,1,0,0|1,0,1]=4 239 B9R1.2 O=C1CNC[C@H](N1)CO Z1203822228 [1,0,0,1,0,0|1,0,1]=4 240 B9R1.3 CC1=C(C(CCC1)N)C Z3814443111 [1,0,0,1,0,0|2,0,0]=4 241 B9R1.3 CN1CCCC(C1=O)N Z1203581592 [1,0,0,1,0,0|2,0,0]=4 242 B9R1.3 NC1CCCN(C1=O)O Z1203581684 [1,0,0,1,0,0|1,0,1]=4 243 B9R1.5 NC1CCCCCC1=O Z2213893401 [1,0,0,1,0,0|1,0,1]=4 244 B9R1.5 NC1CCCCNC1=O Z281895050 [1,0,0,1,0,0|1,0,1]=4 245 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [1,0,0,1,0,0|1,0,0]=3 246 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [1,0,0,1,0,0|2,0,0]=4 247 B9R1.6 O=C(O)C1C=CCNC1 Z3488456277 [1,0,0,1,0,0|2,0,0]=4 248 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [1,0,0,1,0,0|1,0,1]=4 249 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [1,0,0,1,0,0|1,0,1]=4 250 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [1,0,0,1,0,0|1,0,1]=4 251 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [1,0,0,1,0,0|0,0,2]=4 252 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [1,0,0,1,0,0|2,0,0]=4 253 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [1,0,0,1,0,0|2,0,0]=4 254 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [1,0,0,1,0,0|2,0,0]=4 255 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [1,0,0,1,0,0|1,1,0]=4 256 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [1,0,0,1,0,0|2,0,0]=4 257 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [1,0,0,1,0,0|1,0,1]=4 258 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [1,0,0,1,0,0|1,0,0]=3 259 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [1,0,0,1,0,0|1,0,1]=4 260 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [1,0,0,1,0,0|1,0,1]=4 261 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [1,0,0,1,0,0|2,0,0]=4 262 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [1,0,0,1,0,0|2,0,0]=4 263 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [1,0,0,1,0,0|0,0,2]=4 264 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [1,0,0,1,0,0|2,0,0]=4 265 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [1,0,0,1,0,0|1,0,1]=4 266 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,0,0,1,0,0|1,0,1]=4 267 B9R1.41 CN1CCCC1C(=O)O Z424762078 [1,0,0,1,0,0|2,0,0]=4 268 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [1,0,0,1,0,0|2,0,0]=4 269 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [1,0,0,1,0,0|1,0,1]=4 270 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [1,0,0,1,0,0|2,0,0]=4 271 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [1,0,0,1,0,0|2,0,0]=4 272 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [1,0,0,1,0,0|1,0,1]=4 273 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [1,0,0,1,0,0|1,0,1]=4 274 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [1,0,0,1,0,0|1,0,1]=4 275 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,0,0,1,0,0|0,0,2]=4 276 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [1,0,0,1,0,0|1,0,0]=3 277 B9R1.48 O=C1CCCCC(=O)C1 Z607750376 [1,0,0,1,0,0|1,0,0]=3 278 B9R1.48 O=C1CCCNC(=O)C1 Z1203731695 [1,0,0,1,0,0|2,0,0]=4 279 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [1,0,0,1,0,0|1,0,1]=4 280 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [1,0,0,1,0,0|1,0,1]=4 281 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [1,0,0,1,0,0|1,0,1]=4 282 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [1,0,0,1,0,0|1,0,1]=4 283 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [1,0,0,1,0,0|1,0,1]=4 284 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [1,0,0,1,0,0|1,0,1]=4 285 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [1,0,0,1,0,0|0,0,1]=3 286 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [1,0,0,1,0,0|1,0,1]=4 287 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [1,0,0,1,0,0|2,0,0]=4 288 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [1,0,0,1,0,0|2,0,0]=4 289 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [1,0,0,1,0,0|2,0,0]=4 290 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [1,0,0,1,0,0|2,0,0]=4 291 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [1,0,0,1,0,0|2,0,0]=4 292 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,1,0,0|1,0,0]=3 293 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [1,0,0,1,0,0|0,0,0]=2 294 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [1,0,0,1,0,0|1,0,0]=3 295 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [1,0,0,1,0,0|1,0,0]=3 296 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [1,0,0,1,0,0|0,0,0]=2 297 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [1,0,0,1,0,0|0,0,0]=2 298 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [1,0,0,1,0,0|2,0,0]=4 299 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [1,0,0,1,0,0|2,0,0]=4 300 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [1,0,0,1,0,0|1,0,0]=3 301 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [1,0,0,1,0,0|1,0,0]=3 302 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [1,0,0,1,0,0|1,0,0]=3 303 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [1,0,0,1,0,0|2,0,0]=4 304 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [1,0,0,1,0,0|1,0,0]=3 305 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [1,0,0,1,0,0|2,0,0]=4 306 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [1,0,0,1,0,0|1,0,0]=3 307 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [1,0,0,1,0,0|2,0,0]=4 308 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [1,0,0,1,0,0|1,0,1]=4 309 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [1,0,0,1,0,0|0,0,1]=3 310 B9R1.110 O=C(O)C(O)C1CCC1 Z1205496047 [1,0,0,1,0,0|1,0,1]=4 311 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [1,0,0,1,0,0|0,0,1]=3 312 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [1,0,0,1,0,0|1,0,1]=4 313 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [1,0,0,1,0,0|1,0,1]=4 314 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [1,0,0,1,0,0|1,0,1]=4 315 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [1,0,0,1,0,0|2,0,0]=4 316 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [1,0,0,1,0,0|1,0,1]=4 317 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [1,0,0,1,0,0|1,1,0]=4 318 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [1,0,0,1,0,0|1,0,1]=4 319 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [1,0,0,1,0,0|1,0,1]=4 320 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [1,0,0,1,0,0|0,0,1]=3 321 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [1,0,0,1,0,0|1,0,1]=4 322 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [1,0,0,1,0,0|1,0,1]=4 323 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [1,0,0,1,0,0|1,0,1]=4 324 B11R1.77 NC(CC(=O)O)C1CCCC1 Z975823288 [0,0,0,1,0,1|1,0,1]=4 325 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Z2306862306 [0,0,0,1,0,1|1,0,1]=4 326 B11R1.157 CC(=O)CC1CCCC(=O)N1 Z2301684556 [0,0,0,1,0,1|1,0,0]=3 327 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,0,0,1,0,1|1,0,0]=3 328 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [0,0,0,1,0,1|0,0,0]=2 329 B11R1.928 NC1(CCCCC1)CC(=O)O Z1741975256 [0,0,0,1,0,1|1,0,1]=4 330 B11R1.35 NC(CC1CCCC1)C(=O)O Z1558210079 [0,1,0,1,0,0|1,0,1]=4 331 B11R1.35 NC(CC1CCCO1)C(=O)O Z317025024 [0,1,0,1,0,0|0,0,2]=4 332 B11R1.35 NC(CC1CCOC1)C(=O)O Z2740400903 [0,1,0,1,0,0|0,0,2]=4 333 B11R1.35 NC(CC1CCSC1)C(=O)O Z3465027322 [0,1,0,1,0,0|0,1,1]=4 334 B11R1.74 C[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3779337331 [0,1,0,1,0,0|2,0,0]=4 335 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,1,0,1,0,0|0,0,0]=2 336 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C(=O)O)C Z2507795569 [0,1,0,1,0,0|1,0,1]=4 337 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O Z1198153153 [0,1,0,1,0,0|1,0,1]=4 338 B11R1.89 CC(C(=O)O)N1CCOC1=O Z323040336 [0,1,0,1,0,0|2,0,0]=4 339 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [0,1,0,1,0,0|0,0,0]=2 340 B11R1.667 CC1CCCC(C1)(N)C(=O)O Z317024768 [0,1,0,1,0,0|1,0,1]=4 341 B11R1.173 CC(N)(C(=O)O)C1CCCC1 Z4500621822 [0,1,0,1,0,0|1,0,1]=4 342 B11R1.737 NC1(CCCCCC1)C(=O)O Z317024840 [0,1,0,1,0,0|1,0,1]=4 343 B11R1.36 NC(C(=O)O)C1CC=CCC1 Z3562671618 [0,1,0,1,0,0|1,0,0]=3 344 B11R1.36 NC(C(=O)O)C1CCCCC1 Z752370756 [0,1,0,1,0,0|1,0,1]=4 345 B11R1.36 NC(C(=O)O)C1CCOCC1 Z2895181969 [0,1,0,1,0,0|1,0,1]=4 346 B11R1.266 CCC1CCCC(N1)C(=O)O Z1612958646 [0,1,0,1,0,0|1,0,1]=4 347 B11R1.266 CC[C@@H]1COC[C@@H](N1)C(=O)O Z4767064022 [0,1,0,1,0,0|1,0,1]=4 348 B11R1.520 CC1(CCCNC1=O)C(=O)O Z1262521202 [0,1,0,1,0,0|1,0,0]=3 349 B11R1.520 CC1CCCCC1(N)C(=O)O Z317024760 [0,1,0,1,0,0|1,0,1]=4 350 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [0,1,0,1,0,0|1,0,1]=4 351 B11R1.167 CC1CCC(C(N1)C(=O)O)C Z4075226032 [0,1,0,1,0,0|1,0,1]=4 352 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 Z2255110079 [0,1,0,1,0,0|1,0,0]=3 353 B11R1.3 CCC1CCC(NC1)C(=O)O Z4108992291 [0,1,0,1,0,0|1,0,1]=4 354 B11R1.3 O=CC1=CNC(CC1)C(=O)O Z3446087356 [0,1,0,1,0,0|0,0,1]=3 355 B11R1.21 CC1CCC(NC1C)C(=O)O Z2350909288 [0,1,0,1,0,0|1,0,1]=4 356 B11R1.220 CC1CCC(CC1)(N)C(=O)O Z317024836 [0,1,0,1,0,0|1,0,1]=4 357 B11R1.220 NC1CCC(CC1)(N)C(=O)O Z1483956645 [0,1,0,1,0,0|1,0,1]=4 358 B11R1.565 O=C1CCC(CCO1)C(=O)O Z1216841619 [0,1,0,1,0,0|2,0,0]=4 359 B11R1.23 COC(=O)C1CCCC(=O)C1 Z1198183330 [0,1,0,1,0,0|1,0,0]=3 360 B11R1.23 COC(=O)C1CCCC(=O)N1 Z1198314890 [0,1,0,1,0,0|0,0,0]=2 361 B11R1.23 COC(=O)C1CCNC(=O)C1 Z1255401784 [0,1,0,1,0,0|2,0,0]=4 362 B11R1.31 COC(=O)C(N)C1CCCC1 Z3247510653 [0,1,0,1,0,0|1,0,1]=4 363 B11R1.44 COC(=O)[C@@H]1CC[C@@H](C1)C=O Z3033510991 [0,1,0,1,0,0|1,0,0]=3 364 B11R1.121 COC(=O)C1CC(C1)CC=O Z5509910336 [0,1,0,1,0,0|1,0,0]=3 365 B11R1.293 COC(=O)C(N)CC1CCC1 Z1946684509 [0,1,0,1,0,0|1,0,1]=4 366 B11R1.852 COC(=O)C1CCCCCN1 Z2232973413 [0,1,0,1,0,0|1,0,1]=4 367 B11R1.878 COC(=O)C1(CCCCC1)N Z235351541 [0,1,0,1,0,0|1,0,1]=4 368 B11R1.878 COC(=O)C1(CCCOC1)N Z2310702450 [0,1,0,1,0,0|2,0,0]=4 369 B11R1.159 CN1C(=O)CCCC1C(=O)O Z1262558916 [0,1,0,1,0,0|0,0,0]=2 370 B11R1.1074 CNC1(CCCCC1)C(=O)O Z446011394 [0,1,0,1,0,0|1,0,1]=4 371 B11R1.1074 NCC1(CCCCC1)C(=O)O Z3235017457 [0,1,0,1,0,0|1,0,1]=4 372 B11R1.1074 NCC1(CCCOC1)C(=O)O Z2724010460 [0,1,0,1,0,0|2,0,0]=4 373 B11R1.175 CC(=O)N1CCC(C1)C(=O)O Z1078654182 [0,1,0,1,0,0|2,0,0]=4 374 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O Z1814367061 [0,1,0,1,0,0|1,0,0]=3 375 B11R1.175 O=C(O)C1CCC(C1)C(=O)O Z274502046 [0,1,0,1,0,0|1,0,0]=3 376 B11R1.175 O=C(O)C1CCC(O1)C(=O)O Z1198155989 [0,1,0,1,0,0|1,0,0]=3 377 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O Z1262511442 [0,1,0,1,0,0|1,0,0]=3 378 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O Z1954802631 [0,1,0,1,0,0|1,0,0]=3 379 B11R1.1386 CC1(CCCC1(N)C(=O)O)C Z1198173988 [0,1,0,1,0,0|1,0,1]=4 380 B11R1.1386 CC1(CCCS1(=O)=O)C(=O)O Z1262525069 [0,1,0,1,0,0|2,0,0]=4 381 B11R2.8 N[C@H]1C(=O)O[C@@H]2[C@H]1CCC2 Z3371285302 [0,0,0,2,0,0|1,0,1]=4 382 B11R2.845 O=C(O)C1CC2C=CC1C2 Z104495016 [0,0,0,2,0,0|2,0,0]=4 383 B11R2.845 O=C(O)[C@@H]1C[C@H]2C=C[C@@H]1C2 Z2507795603 [0,0,0,2,0,0|2,0,0]=4 384 B11R2.1825 NC1(C2C1CCC2)C(=O)O Z5343255683 [0,0,0,2,0,0|1,0,1]=4 385 B11R2.822 O=C(O)[C@@H]1NC[C@@H]2[C@H]1CC2 Z3484275452 [0,0,0,2,0,0|1,0,1]=4 386 B11R2.1868 O=C(O)C1CCC2(N1)CC2 Z4655556783 [0,0,0,2,0,0|1,0,1]=4 387 B11R2.530 O=C(O)[C@@H]1[C@@H]2[C@H]1C(=O)NC2 Z4164710568 [0,0,0,2,0,0|2,0,0]=4 388 B11R2.612 O=C1N[C@H]([C@@H]2[C@H]1C2)C(=O)O Z3638167617 [0,0,0,2,0,0|0,0,0]=2 389 B11R2.813 O=C(O)[C@]12C[C@H]1CCCN2 Z2896884384 [0,0,0,2,0,0|1,0,1]=4 390 B11R2.849 NC1(CCC2C1C2)C(=O)O Z3282783244 [0,0,0,2,0,0|1,0,1]=4 391 B11R2.820 NC1(CC2CC1C2)C(=O)O Z4896413827 [0,0,0,2,0,0|1,0,1]=4 392 B11R2.819 O=C(O)[C@]12CC[C@H]1CCN2 Z3181907870 [0,0,0,2,0,0|1,0,1]=4