0 B8R0.9 COC(=O)CCC(=O)O NO11694 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 NCC(=O)CCC(=O)O DY34214 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.9 NCC(=O)CCC(=O)O NO10222 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 C#CCCCC(=O)O NO14686 [1,0,0,0,0,0|0,0,2]=3 4 B7R0.4 CC(=O)CCCCBr NO10627 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.4 CCCCCC(=O)Cl DY822275 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 CCCOCC(=O)O DY425744 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 CNCCCC(=O)O DY702793 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.4 N#CCSCC(=O)O DY796389 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 O=C(Cl)CCCCCl DY460464 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 [N-]=[N+]=NCCC(=O)O DY457240 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.6 C=C(C)CCC(=O)O NO16527 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.6 CC(=O)CCC(=O)O NO18688 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.6 CN(C)CCC(=O)O NO12169 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.6 N=C(N)NCC(=O)O DY550479 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.7 CC(=O)OC[C@H](N)C(=O)O DY428251 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O DY539841 [0,1,0,0,0,0|3,0,0]=4 17 B9R0.7 NC(=O)[C@H](N)CCC(=O)O DY437668 [0,1,0,0,0,0|1,0,0]=2 18 B9R0.7 NC(CCC(=O)O)C(=O)O NO15295 [0,1,0,0,0,0|1,0,0]=2 19 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DY437662 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DY822470 [0,1,0,0,0,0|1,0,0]=2 21 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] DY792687 [0,1,0,0,0,0|1,0,0]=2 22 B9R0.7 O=C(O)CCC(=O)C(=O)O DY822245 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.7 O=C(O)CCC(=O)C(=O)O NO14149 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.35 CC1CN[C@H](C(=O)O)C1 DY586580 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586577 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586579 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 DY586578 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.35 NC1CCC(C(=O)O)C1 NO16161 [0,0,0,1,0,0|0,0,2]=3 29 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 DY529041 [0,0,0,1,0,0|0,0,2]=3 30 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 DY628863 [0,0,0,1,0,0|0,0,2]=3 31 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 NO14934 [0,0,0,1,0,0|0,0,2]=3 32 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 DY627831 [0,0,0,1,0,0|0,0,0]=1 33 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 NO17903 [0,0,0,1,0,0|0,0,2]=3 34 B9R1.35 O=C(O)[C@@H]1C[C@@H](I)CN1 DY515055 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 NO18304 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 DY620370 [0,0,0,1,0,0|1,0,2]=4 37 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 DY526479 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 NO19994 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 NO22793 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 NO12039 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.69 NC1CCC(=O)NC1=O NO13348 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.95 COC1CC(C(=O)O)C1 DY556227 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.95 NC[C@H]1C[C@H](C(=O)O)C1 DY532413 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.95 O=C(O)C1CC(CO)C1 DY103733 [0,0,0,1,0,0|2,0,1]=4 45 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [0,0,0,0,1,0|0,0,2]=3 46 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [0,0,0,0,1,0|0,0,2]=3 47 B7R0.2 CNC(C)CC(=O)O DY606375 [0,0,0,0,1,0|2,0,1]=4 48 B7R0.2 NC[C@H](O)CC(=O)O NO16710 [0,0,0,0,1,0|2,0,1]=4 49 B9R0.1 C=CC(=O)OCCC(=O)O DY822567 [0,0,0,0,0,1|1,0,1]=3 50 B6R0.1 C=CC(O)CCN DY787899 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.4 C#CCCC(=O)O DY428029 [2,0,0,0,0,0|0,0,2]=4 52 B6R0.4 C=CCCC(=O)O NO15216 [2,0,0,0,0,0|0,0,0]=2 53 B6R0.4 C=C\C=C\C(=O)O NO12033 [2,0,0,0,0,0|0,0,2]=4 54 B6R0.4 CC(=O)CCCBr NO10305 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.4 CC(=O)CCCCl NO10334 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.4 N#CCCC(=O)O NO22262 [2,0,0,0,0,0|0,0,2]=4 57 B6R0.4 NCCCC(=O)O NO14998 [2,0,0,0,0,0|0,0,0]=2 58 B6R0.4 NCCNC(=O)O DY822495 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.4 NC\C=C\C(=O)O DY552195 [2,0,0,0,0,0|0,0,2]=4 60 B6R0.4 O=C(O)CCCBr NO14053 [2,0,0,0,0,0|1,0,0]=3 61 B6R0.6 C#CCCCC=C DY565911 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.6 C=CCCCCCl DY427568 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.6 C=CCCCCO NO10397 [2,0,0,0,0,0|0,0,1]=3 64 B6R0.6 C=CCCC[Zn]Br DY121349 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.6 C=CCNCC=C DY563475 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.6 O=CCCCC=O DY822316 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.6 O=CCCCCBr DY510224 [2,0,0,0,0,0|1,0,1]=4 68 B8R0.6 O=CCCCC(O)C=O DY822725 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.7 CCCCCCC(=O)O DY822462 [1,1,0,0,0,0|0,0,2]=4 70 B8R0.7 CSCCCCC(=O)O DY112374 [1,1,0,0,0,0|0,0,2]=4 71 B8R0.7 NCCCCCC(=O)O NO13381 [1,1,0,0,0,0|0,0,2]=4 72 B8R0.7 NCCOCCC(=O)O DY739157 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.7 O=C(O)CCCCCBr NO18405 [1,1,0,0,0,0|0,0,2]=4 74 B8R0.21 C=CCCCS(N)(=O)=O DY741415 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.28 CC(=O)CCCC(=O)O DY547923 [1,1,0,0,0,0|0,0,1]=3 76 B8R0.28 CC(=O)NCCC(=O)O DY584556 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.28 CC(C)CCCC(=O)O DY564243 [1,1,0,0,0,0|0,0,2]=4 78 B8R0.28 CN(C)CCCC(=O)O NO18615 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.28 N=C(N)NCCC(=O)O DY550569 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.28 NC(=O)CCCC(=O)O DY604617 [1,1,0,0,0,0|1,0,0]=3 81 B8R0.28 NC(=O)CCCC(N)=O DY549807 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.28 NC(=O)COCC(=O)O DY604478 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O DY700585 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.23 CC(C)C(C)CC(=O)O DY112320 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.23 CC(C)CC(Br)C(=O)O NO14792 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.23 CC(C)CC(N)C(=O)O NO22248 [1,1,0,0,0,0|1,0,1]=4 87 B8R0.23 CC(C)C[C@@H](N)C(=O)O NO18600 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.23 CC(C)C[C@H](N)C(=O)O NO18604 [1,1,0,0,0,0|1,0,1]=4 89 B8R0.23 NC(=O)C[C@@H](N)C(=O)O NO19152 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O DY501789 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.29 CC(C)(N)CCC(=O)O DY610628 [1,1,0,0,0,0|0,0,1]=3 92 B8R0.29 NS(=O)(=O)CCC(=O)O NO14468 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.29 O=C(O)CCC(F)(F)F NO22479 [1,1,0,0,0,0|2,0,0]=4 94 B10R0.84 CNC(CCC(=O)O)C(=O)O DY550983 [0,2,0,0,0,0|1,0,0]=3 95 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O DY620816 [0,2,0,0,0,0|2,0,0]=4 96 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O DY560271 [0,2,0,0,0,0|2,0,0]=4 97 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O DY701455 [0,2,0,0,0,0|0,0,1]=3 98 B10R0.96 O=C(O)CCC(O)CC(=O)O DY523347 [0,2,0,0,0,0|1,0,1]=4 99 B8R1.1 O=C1CCC(CO)N1 DY564003 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.3 NC1CCC(=O)CC1 NO22583 [1,0,0,1,0,0|0,0,2]=4 103 B8R1.3 NC1CCC(=O)NC1 DY444382 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.4 O=C1C=C(Br)CCC1 DY560859 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.4 O=C1CCCC(=O)C1 NO19094 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.4 O=C1CCCC(=O)O1 NO11243 [1,0,0,1,0,0|1,0,0]=3 107 B8R1.6 C=COC1CC(=O)N1 DY534267 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.7 O=C(O)C1C=CCN1 DY436935 [1,0,0,1,0,0|1,0,0]=3 109 B8R1.7 O=C(O)C1C=CCO1 DY788385 [1,0,0,1,0,0|1,0,0]=3 110 B8R1.7 O=C(O)C1CCCN1 NO18287 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.7 O=C(O)C1CCCO1 DY20393 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.7 O=C(O)C1CCNC1 NO18444 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.7 O=C(O)C1CCNC1 NO19637 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.7 O=C(O)C1CCOC1 DY444586 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.7 O=C(O)C1CCSS1 DY566085 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.7 O=C(O)[C@H]1CCCN1 NO22249 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.7 O=C(O)[C@H]1CCNC1 DY569091 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.34 O=C(O)CC1CCC1 NO11177 [1,0,0,1,0,0|0,0,2]=4 122 B8R1.34 O=C(O)CC1CCN1 DY584158 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.35 O=C(O)CCC1CC1 NO19562 [1,0,0,1,0,0|0,0,2]=4 124 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O DY586259 [1,0,0,1,0,0|0,0,2]=4 125 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O DY586268 [1,0,0,1,0,0|0,0,2]=4 126 B8R1.23 CC1CC(C(=O)O)C1 NO15188 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.23 NC1CC(C(=O)O)C1 DY10550 [1,0,0,1,0,0|0,0,1]=3 128 B8R1.23 NC1CC(C(=O)O)C1 DY756217 [1,0,0,1,0,0|0,0,1]=3 129 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO15871 [1,0,0,1,0,0|0,0,1]=3 130 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO18457 [1,0,0,1,0,0|0,0,1]=3 131 B8R1.23 O=C(O)C1CC(O)C1 NO13147 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 DY104924 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.77 CC1(C)C[C@@H]1C(=O)O NO19841 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.18 O=C1CC(Br)C(=O)O1 DY822751 [0,0,0,1,1,0|2,0,0]=4 135 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 NO14216 [0,0,0,1,0,1|0,0,2]=4 136 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 NO12037 [0,0,0,1,0,1|0,0,2]=4 137 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 NO14217 [0,0,0,1,0,1|0,0,2]=4 138 B10R1.83 CC1(C)C(N)CC1C(=O)O DY113164 [0,1,0,1,0,0|0,0,2]=4 139 B10R1.25 CNC1CCC(=O)NC1=O DY525621 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.63 CC1(C)CCC(=O)OC1=O DY777472 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.113 NC1CCCC(C(=O)O)C1 NO19619 [0,1,0,1,0,0|0,0,2]=4 142 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 NO14264 [0,1,0,1,0,0|0,0,2]=4 143 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 NO17221 [0,1,0,1,0,0|0,0,2]=4 144 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 NO17237 [0,1,0,1,0,0|0,0,2]=4 145 B10R1.66 O=C(O)CCC1=CC=CN1 NO21786 [0,1,0,1,0,0|0,0,1]=3 146 B10R1.66 O=C(O)CCC1=CN=NN1 DY770007 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.66 O=C(O)CCN1C=CC=N1 DY578343 [0,1,0,1,0,0|1,0,1]=4 148 B10R1.66 O=C(O)CCN1C=NC=N1 DY570951 [0,1,0,1,0,0|1,0,1]=4 149 B10R1.59 CN1C[C@H](N)C[C@H]1C(=O)O DY606615 [0,1,0,1,0,0|0,0,2]=4 150 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [1,0,0,0,1,0|0,0,1]=3 151 B6R0.2 C[C@H](N)CC(=O)O NO20346 [1,0,0,0,1,0|0,0,1]=3 152 B6R0.2 C[C@H](O)CC(=O)O DY426021 [1,0,0,0,1,0|1,0,1]=4 153 B6R0.3 C=CC(C)C(=O)O DY559155 [0,0,0,0,2,0|1,0,0]=3 154 B6R0.3 C=CC(O)C(=O)O DY586439 [0,0,0,0,2,0|1,0,0]=3 155 B6R0.3 C=C[C@H](N)C(=O)O DY21080 [0,0,0,0,2,0|0,0,0]=2 156 B6R0.3 CCC(N)C(=O)O NO14084 [0,0,0,0,2,0|0,0,2]=4 157 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [0,0,0,0,2,0|0,0,2]=4 158 B6R0.3 CC[C@H](N)C(=O)O NO13661 [0,0,0,0,2,0|0,0,2]=4 159 B6R0.3 NC(CO)C(=O)O NO18949 [0,0,0,0,2,0|1,0,1]=4 160 B6R0.3 NC(CS)C(=O)O NO19655 [0,0,0,0,2,0|1,0,1]=4 161 B6R0.3 NCC(N)C(=O)O DY702709 [0,0,0,0,2,0|1,0,1]=4 162 B6R0.3 NCC(N)C(=O)O DY703093 [0,0,0,0,2,0|1,0,1]=4 163 B6R0.3 NCC(N)C(=O)O NO19624 [0,0,0,0,2,0|1,0,1]=4 164 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [0,0,0,0,2,0|1,0,1]=4 165 B6R0.3 NC[C@H](N)C(=O)O NO14756 [0,0,0,0,2,0|1,0,1]=4 166 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [0,0,0,0,2,0|1,0,1]=4 167 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [0,0,0,0,2,0|1,0,1]=4 168 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [0,0,0,0,2,0|1,0,1]=4 169 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [0,0,0,0,2,0|1,0,1]=4 170 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [0,0,0,0,2,0|1,0,1]=4 171 B6R0.3 N[C@H](CO)C(=O)O NO14731 [0,0,0,0,2,0|1,0,1]=4 172 B6R0.3 N[C@H](CS)C(=O)O DY439001 [0,0,0,0,2,0|1,0,1]=4 173 B6R0.3 N[C@H](CS)C(=O)O NO19417 [0,0,0,0,2,0|1,0,1]=4