0 B10R1.128 CC(=O)N1COCC1(C)C Z2027160972 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.128 CC1(CCC=C1C(=O)O)C Z1205498101 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.128 CC1(CCCC1C(=O)O)C Z1205494169 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.128 CC1(CCNC1C(=O)O)C Z2301438439 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.128 CC1(CNCC1C(=O)O)C Z1741975323 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.128 CC1(NCCC1C(=O)O)C Z3485881429 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.128 CC1(OCCC1C(=O)O)C Z1205495057 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N Z2306832357 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.128 O=C(O)C1CCCC1(F)F Z1222424705 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.128 O=C(O)C1CCCS1(=O)=O Z1259179102 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.24 CC1(CCCC1C#N)C Z1350877578 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.24 CC1(CCCC1CN)C Z1203586019 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.24 CC1(OCCC1C=O)C Z1511769442 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.24 CC1(SCCC1C=O)C Z1255356876 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.41 CN1CCCC1C(=O)O Z424762078 [1,0,0,0,0,0|0,0,2]=3 20 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [1,0,0,0,0,0|0,0,2]=3 21 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)N Z2235592159 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [1,0,0,0,0,0|1,0,2]=4 28 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.227 CC1(CCCN1C(=O)CCl)C Z1098918340 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.227 COC(=O)C1CCNC1(C)C Z3484293844 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.227 COC(=O)C1CNCC1(C)C Z1341383037 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.1386 CC1(CCCC1(N)C(=O)O)C Z1198173988 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.1386 CC1(CNCC1(F)C(=O)O)C Z4415009728 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.32 CCC(C)(C)C(N)C(=O)O Z2429425649 [0,0,1,0,0,0|2,0,1]=4 37 B9R0.33 C=CCC(C(=O)[O-])N(C)C Z3005519360 [0,0,1,0,0,0|0,0,3]=4 38 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [0,0,1,0,0,0|1,0,1]=3 39 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [0,0,1,0,0,0|0,0,2]=3 40 B9R0.33 CCNC(C(=O)O)C(C)C Z1259273177 [0,0,1,0,0,0|2,0,1]=4 41 B9R0.33 CCSC(C(=O)O)C(C)C Z332377408 [0,0,1,0,0,0|2,0,1]=4 42 B9R0.33 CN(C)C(CCO)C(=O)O Z5134019755 [0,0,1,0,0,0|1,0,2]=4 43 B9R0.33 COCC(C(=O)O)N(C)C Z4653441284 [0,0,1,0,0,0|1,0,2]=4 44 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [0,0,1,0,0,0|1,0,1]=3 45 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [0,0,1,0,0,0|2,0,1]=4 46 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [0,0,1,0,0,0|2,0,1]=4 47 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [0,0,1,0,0,0|2,0,1]=4 48 B9R0.55 CC(C)COCCC(=O)O Z316259216 [0,0,1,0,0,0|2,0,1]=4 49 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [0,0,1,0,0,0|2,0,1]=4 50 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [0,0,1,0,0,0|2,0,1]=4 51 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [0,0,1,0,0,0|2,0,1]=4 52 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,0,1,0,0,0|2,0,1]=4 53 B9R0.55 CN(C)CCCCC(=N)N Z5208162498 [0,0,1,0,0,0|2,0,1]=4 54 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [0,0,1,0,0,0|0,0,2]=3 55 B9R0.55 CN(C)CCCNC(=O)N Z935140758 [0,0,1,0,0,0|2,0,1]=4 56 B9R0.58 CCCC(C)(C)CC(=O)O Z1198160073 [0,0,1,0,0,0|1,0,1]=3 57 B9R0.58 COCC(C)(C)CC(=O)O Z1434171899 [0,0,1,0,0,0|2,0,1]=4 58 B9R0.58 C[N+](C)(CCO)CC(=O)[O-] Z1198155437 [0,0,1,0,0,0|1,0,0]=2 59 B9R0.72 CC(C)(C)C(CO)C(=O)O Z1205656785 [0,0,1,0,0,0|2,0,1]=4 60 B9R0.72 CSC(C(=O)O)C(C)(C)C Z1645899704 [0,0,1,0,0,0|2,0,1]=4 61 B11R2.142 NC(=O)C1CNCC12CC2 Z4947231444 [0,0,0,1,0,0|3,0,0]=4 62 B11R2.142 O=C(O)C1CCNC12CC2 Z3615239173 [0,0,0,1,0,0|2,0,1]=4 63 B11R2.818 C[C@@]12CNC[C@@]1(C2)C(=O)O Z4120110312 [0,0,0,1,0,0|2,0,1]=4 64 B11R2.840 NC12CC(C1)CC2C(=O)O Z5935014615 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [0,0,0,0,1,0|1,0,1]=3 66 B9R1.166 CC1(CNC1C(=O)O)C Z2690814529 [0,0,0,0,1,0|2,0,1]=4 67 B11R1.177 CC1(CCCCC1C(=O)O)C Z1262514811 [0,0,0,0,0,1|1,0,1]=3 68 B11R1.177 CC1(CCCCC1C(=O)O)N Z1494770337 [0,0,0,0,0,1|2,0,1]=4 69 B11R1.177 CC1(CCCNC1C(=O)N)C Z4063538641 [0,0,0,0,0,1|2,0,0]=3 70 B11R1.177 CC1(CCCNC1C(=O)O)C Z1925929976 [0,0,0,0,0,1|1,0,1]=3 71 B11R1.177 CC1(CCNCC1C(=O)O)C Z3069013028 [0,0,0,0,0,1|1,0,1]=3 72 B11R1.177 CC1(OCCNC1C(=O)O)C Z4497435109 [0,0,0,0,0,1|2,0,1]=4 73 B11R1.234 CC1(CNCC1CC(=O)O)C Z3769318294 [0,0,0,0,0,1|2,0,1]=4 74 B11R1.234 CC1(NCCC1CC(=O)O)C Z3410232929 [0,0,0,0,0,1|2,0,1]=4 75 B11R1.730 CC1(CC(CCN1)C(=O)O)C Z3717120914 [0,0,0,0,0,1|2,0,1]=4 76 B11R1.730 CC1(CC(CCO1)C(=O)O)C Z1192344101 [0,0,0,0,0,1|2,0,1]=4 77 B11R1.730 CC1(CCCC(C1)C(=O)O)C Z1229795777 [0,0,0,0,0,1|1,0,1]=3 78 B11R1.730 CC1(CCCC(O1)C(=O)O)C Z1836444615 [0,0,0,0,0,1|1,0,1]=3 79 B11R1.730 CC1(CCNC(C1)C(=O)O)C Z2306604258 [0,0,0,0,0,1|2,0,1]=4 80 B11R1.730 CC1(CNCC(C1)C(=O)O)C Z3753017050 [0,0,0,0,0,1|2,0,1]=4 81 B11R1.730 CC1(CNCC(O1)C(=O)O)C Z3477046674 [0,0,0,0,0,1|2,0,1]=4 82 B11R1.730 CC1(COCC(N1)C(=O)O)C Z1739253890 [0,0,0,0,0,1|2,0,1]=4 83 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [1,0,1,0,0,0|1,0,1]=4 84 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [1,0,1,0,0,0|1,0,1]=4 85 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [1,0,1,0,0,0|1,0,1]=4 86 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,0,1,0,0,0|1,0,1]=4 87 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [1,0,1,0,0,0|1,0,1]=4 88 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [1,0,1,0,0,0|0,0,2]=4 89 B8R0.7 CCCCCCC(=O)O Z104474412 [1,0,1,0,0,0|1,0,1]=4 90 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,0,1,0,0,0|0,0,2]=4 91 B8R0.7 COCCCCC(=O)O Z362633826 [1,0,1,0,0,0|1,0,1]=4 92 B8R0.7 CSCCCCC(=O)O Z732206636 [1,0,1,0,0,0|1,0,1]=4 93 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,0,1,0,0,0|1,0,1]=4 94 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [1,0,1,0,0,0|0,0,2]=4 95 B8R1.11 CC1CCCC1C=O Z1268606470 [2,0,0,0,0,0|1,0,0]=3 96 B8R1.11 CC1OCCC1C=O Z1342837783 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.19 CC1(CCCC1=O)C Z1238544226 [2,0,0,0,0,0|1,0,1]=4 98 B8R1.7 CC(=O)C1CCCC1 Z513735352 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.7 NC(=O)C1CCCC1 Z33546657 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.7 NC(=O)C1CCCN1 Z56945990 [2,0,0,0,0,0|1,0,1]=4 101 B8R1.7 NC(=O)C1CCCO1 Z33545380 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.7 O=C(O)C1CCCC1 Z104476116 [2,0,0,0,0,0|1,0,1]=4 103 B8R1.7 O=C(O)C1CCCN1 Z104476886 [2,0,0,0,0,0|0,0,2]=4 104 B8R1.7 O=C(O)C1CCCO1 Z104486102 [2,0,0,0,0,0|1,0,1]=4 105 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [2,0,0,0,0,0|1,0,1]=4 106 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [2,0,0,0,0,0|0,0,2]=4 107 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [2,0,0,0,0,0|0,0,2]=4 108 B10R0.17 CCCNC(C(=O)O)C(C)C Z445226212 [0,1,1,0,0,0|1,0,1]=4 109 B10R0.17 CSCCC(C(=O)O)N(C)C Z565906654 [0,1,1,0,0,0|0,0,2]=4 110 B10R0.162 CC(C)CC(C(=O)O)C(C)C Z756391614 [0,1,1,0,0,0|1,0,1]=4 111 B10R0.15 CC(C)(C)CCCCC(=O)O Z1198156575 [0,1,1,0,0,0|1,0,1]=4 112 B10R0.15 C[N+](C)(C)CCCCC(=O)O Z1262519915 [0,1,1,0,0,0|0,0,1]=3 113 B10R0.55 CCC(C)CCCCC(=O)O Z1198160151 [0,1,1,0,0,0|1,0,1]=4 114 B10R0.96 CC(CCC(=O)O)CN(C)C Z4423737143 [0,1,1,0,0,0|0,0,2]=4 115 B10R0.98 CC(C)C(N)CCCC(=O)O Z4573099344 [0,1,1,0,0,0|1,0,1]=4 116 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,1,1,0,0,0|1,0,1]=4 117 B10R1.133 CC1(OCCC1CC=O)C Z1514014741 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Z2213889147 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O Z3247574257 [1,1,0,0,0,0|0,0,2]=4 121 B10R1.149 COC(=O)C1CCCN1C Z905213162 [1,1,0,0,0,0|0,0,2]=4 122 B10R1.291 CC1CCCC1(C)C(=O)O Z1205495850 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.291 CC1CCCC1(N)C(=O)N Z1258614045 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.291 CC1CCCC1(N)C(=O)O Z3037488514 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C Z2307368764 [0,1,0,0,1,0|1,0,1]=4 126 B10R1.365 CC1(CCC1(N)C(=O)O)C Z5783123373 [0,1,0,0,1,0|1,0,1]=4 127 B12R1.3005 CC1(C[C@H](C[C@@H](O1)C(=O)O)N)C Z4062691825 [0,1,0,0,0,1|1,0,1]=4 128 B12R1.3097 CC1(CCCC(C1)(N)C(=O)O)C Z1229796970 [0,1,0,0,0,1|1,0,1]=4 129 B12R1.3097 CC1(CCCC(C1)(O)C(=O)O)C Z1229797482 [0,1,0,0,0,1|1,0,1]=4 130 B12R1.3889 CC1CCC(C1(C)C)(C)C(=O)O Z1255438991 [0,2,0,0,0,0|1,0,1]=4 131 B10R1.61 CC(=O)C1CCCCC1C Z1276728280 [0,0,1,1,0,0|2,0,0]=4 132 B10R1.61 CC(C)C1CCCCC1=O Z993018022 [0,0,1,1,0,0|2,0,0]=4 133 B10R1.61 CC(C)C1CCCNC1=O Z1203747730 [0,0,1,1,0,0|2,0,0]=4 134 B10R1.61 CN(C)C1CCCCC1=O Z447865324 [0,0,1,1,0,0|1,0,1]=4 135 B10R1.61 CN1CCCCC1C(=O)O Z1259339901 [0,0,1,1,0,0|0,0,2]=4 136 B10R1.61 CN1CCCC[C@@H]1C(=O)O Z1205493960 [0,0,1,1,0,0|0,0,2]=4 137 B10R1.61 CN1CCCC[C@H]1C(=O)O Z1205494199 [0,0,1,1,0,0|0,0,2]=4 138 B10R1.357 CN(C)C(C(=O)O)C1CC1 Z1483957023 [0,0,1,1,0,0|0,0,2]=4 139 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,0,1,1,0,0|1,0,1]=4 140 B10R1.54 CN1CCC(C1)CC(=O)O Z2492774445 [0,0,1,1,0,0|0,0,2]=4 141 B10R1.113 CC(=O)C1CCCN(C1)C Z413815762 [0,0,1,1,0,0|1,0,1]=4 142 B10R1.113 CC(C)C1CCCC(=O)N1 Z1203748309 [0,0,1,1,0,0|2,0,0]=4 143 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,0,1,1,0,0|1,0,1]=4 144 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,0,1,1,0,0|0,0,2]=4 145 B10R1.276 CC1(CCCCC(=O)N1)C Z1509172874 [0,0,1,1,0,0|2,0,0]=4 146 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O Z2235790964 [0,0,1,1,0,0|1,0,1]=4 147 B10R1.368 CN(C)C[C@@H]1C[C@@H]1C(=O)O Z3681224464 [0,0,1,1,0,0|0,0,2]=4 148 B10R1.329 CC1CC(=O)CC(C1)(C)C Z104472308 [0,0,1,1,0,0|2,0,0]=4 149 B10R1.370 CC1(CCCC1)CC(=O)O Z1205494632 [0,0,1,1,0,0|1,0,1]=4 150 B10R2.32 O=C1NCC2C1CCC2 Z1198170665 [1,0,0,1,0,0|2,0,0]=4 151 B10R2.32 O=C1NC[C@H]2[C@@H]1CCC2 Z3715300326 [1,0,0,1,0,0|2,0,0]=4 152 B10R2.32 O=C1OC[C@H]2[C@@H]1CCC2 Z2786565576 [1,0,0,1,0,0|1,0,1]=4 153 B12R2.1355 CC12CCN(C1)CC2C(=O)O Z5333391312 [0,0,0,1,0,1|1,0,1]=4 154 B12R2.2786 CC1([C@@H]2CC[C@]1(C(=O)C2)C)C Z1255434759 [0,1,0,1,0,0|2,0,0]=4 155 B12R2.2786 CC12CCC(C1(C)C)CC2=O Z104473074 [0,1,0,1,0,0|2,0,0]=4 156 B12R2.6499 NC1(CCCC12CC2)C(=O)O Z4562633150 [0,1,0,1,0,0|1,0,1]=4 157 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,0,1,0,1,0|1,0,1]=4 158 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,0,1,0,1,0|2,0,0]=4 159 B8R0.12 CC(C)(CCO)C(=O)[O-] Z2939606946 [0,0,1,0,1,0|2,0,0]=4 160 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,0,1,0,1,0|2,0,0]=4 161 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,0,0,0,2,0|1,0,1]=4 162 B10R0.23 CCCC(NC(C)C)C(=O)O Z1665263806 [0,0,1,0,0,1|1,0,1]=4 163 B10R0.97 CC(C)CCCCCC(=O)O Z1198149402 [0,0,1,0,0,1|1,0,1]=4 164 B10R0.97 CN(C)CCOCCC(=O)O Z3400152526 [0,0,1,0,0,1|0,0,2]=4 165 B10R0.138 CCC(CC(=O)O)C(C)(C)C Z1262527169 [0,0,1,0,0,1|1,0,1]=4 166 B10R1.38 CC1(OCCCC1C=O)C Z1511831713 [1,0,0,0,0,1|1,0,0]=3 167 B10R1.38 CC1(OCCOC1C=O)C Z4203080002 [1,0,0,0,0,1|2,0,0]=4 168 B10R1.171 CC1(CC(CCO1)C=O)C Z1198158684 [1,0,0,0,0,1|2,0,0]=4 169 B10R1.171 CC1(CCCC(C1)C=O)C Z1147526330 [1,0,0,0,0,1|1,0,0]=3 170 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [1,0,0,0,0,1|1,0,1]=4 171 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,0,0,0,1,1|1,0,1]=4 172 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,0,0,0,1,1|1,0,1]=4 173 B12R1.391 CC1(CCCCC1CC(=O)O)C Z1262519043 [0,0,0,0,0,2|1,0,1]=4 174 B12R1.391 CC1(CCCOC1CC(=O)O)C Z3327126155 [0,0,0,0,0,2|1,0,1]=4 175 B12R1.1821 CC1(CCCC(C1)CC(=O)O)C Z1229795308 [0,0,0,0,0,2|1,0,1]=4