0 B8R0.23 C=C(CC(C)C)C(C)=O DY740959 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.23 CC(C)CC(Br)C(=O)O NO14792 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.23 CC(C)CC(N)C(=O)O NO22248 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.23 CC(C)C[C@@H](N)C(=O)O NO18600 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.23 CC(C)C[C@@H](N)C(N)=O DY437833 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.23 CC(C)C[C@H](N)C(=O)O NO18604 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.23 CC(C)OC(=O)[C@H](C)N NO14281 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.23 CC(C)OC(C)C(=O)O DY603788 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.2 CC(C)CC(=O)CN DY540483 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.2 CC(C)NC(=O)CN DY605375 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.2 CC(C)OC(=O)CO NO11522 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.2 CCC(=O)CC(C)=O NO21124 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.2 COC(=O)C[C@H](C)N DY625921 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.2 COC(=O)C[C@H](C)O DY559029 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.2 C\C(C=O)=C/N(C)C NO22267 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.5 CCCC(=O)N(C)C DY584357 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.5 CCCC(C)C(C)=O DY740965 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.5 CCNC(=O)C(C)Cl DY605068 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 CCOC(=O)C(C)C NO11388 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.5 CCOC(=O)C(C)N DY628935 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 CCOC(=O)C(N)=S NO11392 [1,0,0,0,0,0|2,1,0]=4 25 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.5 CN(C)C(=O)CCO DY606315 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.6 CC(C)CCC(=N)N DY611066 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.6 CN(C)CCC(=O)O NO12169 [1,0,0,0,0,0|2,0,1]=4 29 B9R0.23 C=C(CC(C)C)C(=O)OC DY547623 [0,1,0,0,0,0|1,0,0]=2 30 B9R0.23 CC(C)OC(=O)[C@@H](N)CS DY572133 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.23 CCC(=O)C(C)CN(C)C NO12103 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.23 COC(=O)[C@@H](N)CC(C)C NO22260 [0,1,0,0,0,0|1,0,1]=3 33 B9R0.39 CN[C@@H](CC(C)C)C(=O)O DY437917 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.42 CCC(C)NC(=O)C(=O)O DY604587 [0,1,0,0,0,0|2,0,0]=3 35 B9R0.57 CC(Br)C(=O)OC(C)(C)C DY552723 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O DY701695 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.57 CC(C)C(=O)CC(C)(C)O DY740575 [0,1,0,0,0,0|1,0,1]=3 38 B9R0.57 C[C@@H](N)C(=O)OC(C)(C)C NO19633 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C NO22243 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C DY519933 [0,1,0,0,0,0|1,0,2]=4 41 B9R1.35 CC(=O)N1CCC(N)C1 DY665434 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.35 CC1CN[C@H](C(=O)O)C1 DY586580 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586577 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586579 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 DY586578 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.36 CC1(C)CC(N)C(=O)O1 DY585320 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.69 CC1CNC(=O)C(C)C1 DY636400 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.69 CN1CC(N)CCC1=O DY603454 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.112 C[C@H](CC1CC1)C(=O)O DY586262 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.112 NC(CC1CC1)C(=O)O DY628713 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.112 N[C@H](CC1CC1)C(=O)O NO18682 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.161 CC(C)[C@H]1C[C@@H]1C(=O)O DY586271 [0,0,0,1,0,0|2,0,1]=4 53 B7R0.16 CC(=O)C(=O)C(C)Br DY822550 [0,0,0,0,1,0|1,0,0]=2 54 B7R0.16 CC(Br)C(=O)C(C)Br DY798315 [0,0,0,0,1,0|2,0,1]=4 55 B7R0.16 CC(C)C(=O)C(=O)[O-] NO22357 [0,0,0,0,1,0|1,0,0]=2 56 B7R0.16 CC(C)[C@@H](N)C(N)=O NO11445 [0,0,0,0,1,0|2,0,1]=4 57 B7R0.16 CC(C)[C@H](N)C(=O)O NO19285 [0,0,0,0,1,0|2,0,1]=4 58 B7R0.16 CN(C)C(=O)C(=O)O NO11735 [0,0,0,0,1,0|2,0,0]=3 59 B7R0.16 O=C(O)C(=O)C(Br)Br NO18490 [0,0,0,0,1,0|3,0,0]=4 60 B9R0.7 CC(C)C(=O)CCN(C)C DY793521 [0,0,0,0,0,1|2,0,1]=4 61 B9R0.7 CC(C)CC[C@H](N)C(=O)O NO10576 [0,0,0,0,0,1|2,0,1]=4 62 B9R0.7 CC(C)COC(C)C(=O)O DY585447 [0,0,0,0,0,1|2,0,1]=4 63 B9R0.53 CC(C)=CC(=O)C=C(C)C DY10339 [0,0,0,0,0,1|1,0,2]=4 64 B9R0.53 CC(C)CC(N)CC(=O)O NO19014 [0,0,0,0,0,1|2,0,1]=4 65 B9R0.53 CC(C)C[C@@H](N)CC(=O)O DY701461 [0,0,0,0,0,1|2,0,1]=4 66 B9R0.53 CC(C)C[C@H](N)CC(=O)O DY439109 [0,0,0,0,0,1|2,0,1]=4 67 B9R0.53 CC(C)OC(=O)OC(C)C DY565407 [0,0,0,0,0,1|2,0,1]=4 68 B9R0.53 CC(C)OC(=O)OC(C)Cl NO20669 [0,0,0,0,0,1|2,0,1]=4 69 B9R0.53 C\C(N)=C\C(=O)OC(C)C NO10135 [0,0,0,0,0,1|2,0,0]=3 70 B6R0.1 CCCC(=O)NN NO22544 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.1 CCOC(=O)CC DY460554 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.1 COC(=O)CCCl DY741043 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.1 COC(=O)CCN NO22266 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.1 COC(=O)CSC DY460536 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.2 CC(=O)NC(C)C DY461094 [2,0,0,0,0,0|1,0,0]=3 76 B6R0.2 CC(C)CC(C)N DY822361 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.2 CC(O)CC(=O)[O-] DY460020 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.2 CN(C)CC(=O)O NO13413 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [2,0,0,0,0,0|1,0,1]=4 81 B6R0.2 C[C@H](N)CC(=O)O NO20346 [2,0,0,0,0,0|1,0,1]=4 82 B6R0.2 C[C@H](O)CC(=O)O DY426021 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.4 C=COCC(C)C DY822723 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.4 CC(=O)CCCBr NO10305 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.4 CC(=O)CCCCl NO10334 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.4 CC(=O)NCCCl DY33011 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.4 CCNCC(C)C DY564723 [2,0,0,0,0,0|1,0,1]=4 89 B6R0.4 CC\C=C\C(C)=O DY822743 [2,0,0,0,0,0|0,0,1]=3 90 B6R0.4 CNCCC(C)C DY543681 [2,0,0,0,0,0|1,0,1]=4 91 B6R0.4 CNCCC(C)C DY553713 [2,0,0,0,0,0|1,0,1]=4 92 B6R0.4 CSCCC(C)=O DY740809 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.3 CCC(=O)C(=O)O NO21626 [2,0,0,0,0,0|1,0,0]=3 94 B8R0.2 COC(=O)C(Br)C(C)C NO11601 [1,1,0,0,0,0|1,0,0]=3 95 B8R0.2 COC(=O)C(N)C(C)O NO17155 [1,1,0,0,0,0|2,0,0]=4 96 B8R0.2 COC(=O)[C@@H](N)C(C)C NO22265 [1,1,0,0,0,0|1,0,0]=3 97 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O NO17112 [1,1,0,0,0,0|2,0,0]=4 98 B8R0.2 COC(=O)[C@H](N)C(C)C DY438304 [1,1,0,0,0,0|1,0,0]=3 99 B8R0.2 COC(=O)[C@H](N)C(C)C NO13949 [1,1,0,0,0,0|1,0,0]=3 100 B8R0.2 COC(=O)[C@H](N)[C@H](C)O NO15233 [1,1,0,0,0,0|2,0,0]=4 101 B8R0.5 CC(C)OC(=O)OCCl NO19003 [1,1,0,0,0,0|2,0,0]=4 102 B8R0.5 CCOC(=O)CC(C)O NO11353 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.5 CCOC(=O)C[C@@H](C)O NO18545 [1,1,0,0,0,0|1,0,1]=4 104 B8R0.19 CC[C@H](N)CC(=O)OC DY628425 [1,1,0,0,0,0|2,0,0]=4 105 B8R0.19 COC(=O)C[C@@H](O)CCl NO18252 [1,1,0,0,0,0|2,0,0]=4 106 B8R0.19 COC(=O)C[C@H](O)CO DY627328 [1,1,0,0,0,0|2,0,0]=4 107 B8R0.24 C=CC(=O)OC(C)(C)C DY822664 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.24 CCC(=O)OC(C)(C)C DY461112 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.24 COC(=O)CC(C)(C)C DY502731 [1,1,0,0,0,0|1,0,0]=3 110 B8R0.24 COC(=O)CC(C)(C)N DY740383 [1,1,0,0,0,0|1,0,0]=3 111 B8R0.3 C=C(CBr)C(=O)OCC NO11325 [1,1,0,0,0,0|2,0,0]=4 112 B8R0.3 C=C(CO)C(=O)OCC NO20908 [1,1,0,0,0,0|2,0,0]=4 113 B8R0.3 CCOC(=O)C(=O)CBr NO18430 [1,1,0,0,0,0|1,0,0]=3 114 B8R0.3 CCOC(=O)C(=O)CC NO13439 [1,1,0,0,0,0|1,0,0]=3 115 B8R0.3 CCOC(=O)C(=O)NN NO13814 [1,1,0,0,0,0|2,0,0]=4 116 B8R0.3 CCOC(=O)N(C)N=O DY796905 [1,1,0,0,0,0|2,0,0]=4 117 B8R0.8 CNCCC(=O)N(C)C DY606171 [1,1,0,0,0,0|2,0,0]=4 118 B8R0.8 CSCCC(=O)C(=O)[O-] DY558027 [1,1,0,0,0,0|1,0,0]=3 119 B8R0.9 C=CC(=O)OCC(C)C DY822663 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.9 COC(C)COC(C)=O DY822690 [1,1,0,0,0,0|1,0,0]=3 121 B8R0.29 CC(C)(N)CCC(=O)O DY610628 [1,1,0,0,0,0|1,0,1]=4 122 B10R0.57 COC(=O)[C@@H](N)CCC(C)C DY625885 [0,1,0,0,0,1|1,0,1]=4 123 B10R0.57 C\C=C(/C)C(=O)OCC(C)C DY740863 [0,1,0,0,0,1|1,0,0]=3 124 B10R0.84 CC(C)C\C=C(/C=O)C(C)C DY550455 [0,1,0,0,0,1|1,0,1]=4 125 B10R0.31 CC(=O)CC(=O)SC(C)(C)C DY528195 [0,1,0,0,0,1|1,0,0]=3 126 B10R0.31 CC(=O)NC(=O)OC(C)(C)C NO12195 [0,1,0,0,0,1|1,0,0]=3 127 B10R0.31 CC(C)(C)OC(=O)CC(=O)O DY10151 [0,1,0,0,0,1|2,0,0]=4 128 B10R0.32 CCOC(=O)C(=O)CC(C)C NO15204 [0,2,0,0,0,0|0,0,0]=2 129 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C NO14067 [0,2,0,0,0,0|1,0,1]=4 130 B8R1.4 CC1CCNC(=O)N1 DY694421 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.4 CN1CCCC(=O)C1 DY774909 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.4 CN1CCNC(=O)C1 NO13438 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.4 CN1CCOC(=O)C1 NO17566 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.4 C[C@@H]1CC(=O)CCN1 DY586650 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.4 NC1CCNC(=O)C1 NO15459 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.4 O=C1C[C@@H](O)CCN1 DY555969 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.29 CC1C(=O)NC1(C)C DY720526 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.51 CC1(C)CNC(=O)C1 NO22480 [1,0,0,1,0,0|1,0,0]=3 139 B8R1.51 CC1(O)CNC(=O)C1 DY559053 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.83 COC(=O)C1CC1Br DY430638 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.5 O=C1CCCCC1=O NO20486 [1,0,0,1,0,0|0,0,0]=2 142 B8R1.5 O=C1CCCCC1Br DY573183 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.5 O=C1CCCCN1O DY822177 [1,0,0,1,0,0|1,0,1]=4 144 B8R1.5 O=C1NCCNC1=O DY517029 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.7 CC(=O)C1CCCC1 DY445790 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.7 CC(=O)C1CCCC1 NO20673 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.7 CC(=O)C1CCCO1 DY586599 [1,0,0,1,0,0|0,0,2]=4 148 B8R1.7 CC(=O)[C@H]1CCCN1 DY586041 [1,0,0,1,0,0|1,0,1]=4 149 B8R1.7 CC(=O)[C@H]1CCCO1 DY586598 [1,0,0,1,0,0|0,0,2]=4 150 B8R1.7 O=C(O)C1=NCCC1 DY584439 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.37 CCCC(=O)N1CC1 DY743815 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.54 O=C(O)C(=O)C1CC1 NO15905 [1,0,0,1,0,0|1,0,0]=3 153 B8R1.54 O=C([O-])C(=O)C1CC1 DY121058 [1,0,0,1,0,0|1,0,0]=3 154 B8R1.3 CC1CCC(=O)OC1 DY777526 [1,0,0,1,0,0|1,0,0]=3 155 B8R1.3 CN1CCC(=O)CC1 DY634332 [1,0,0,1,0,0|1,0,1]=4 156 B8R1.3 CN1CCC(=O)CC1 NO18410 [1,0,0,1,0,0|1,0,1]=4 157 B8R1.3 NC1CCC(=O)CC1 NO22583 [1,0,0,1,0,0|1,0,1]=4 158 B8R1.3 NC1CCC(=O)NC1 DY444382 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.3 O=C1CCC(O)CC1 NO22889 [1,0,0,1,0,0|1,0,1]=4 160 B8R1.3 O=C1CC[C@@H](O)CN1 DY502941 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.35 O=C(O)CCC1CC1 NO19562 [1,0,0,1,0,0|1,0,1]=4 162 B8R1.77 CC1(C)C[C@@H]1C(=O)O NO19841 [1,0,0,1,0,0|1,0,1]=4 163 B8R1.50 CC1=C(O)C(=O)CC1 NO16508 [0,0,0,1,1,0|0,0,2]=4 164 B10R1.13 CC(=O)C1CCC(C)CC1 DY535101 [0,0,0,1,0,1|1,0,1]=4 165 B10R1.54 CC(C)C[C@H]1CCC(=O)N1 DY513969 [0,0,0,1,0,1|1,0,1]=4 166 B10R1.59 CC(C)C1NC(=O)OC1=O DY774057 [0,0,0,1,0,1|1,0,0]=3 167 B10R1.59 CC(C)[C@@H]1NC(=O)OC1=O DY543993 [0,0,0,1,0,1|1,0,0]=3 168 B10R1.329 CC1(C)CC(=O)NC(=O)C1 DY461082 [0,0,0,1,0,1|0,0,0]=2 169 B10R1.329 CC1(C)CC(=O)NC(=O)N1 DY695018 [0,0,0,1,0,1|1,0,0]=3 170 B10R1.329 CC1(C)OC(=O)CC(=O)O1 DY20692 [0,0,0,1,0,1|2,0,0]=4 171 B10R1.371 CC1(C)CC(=CC(=O)O)C1 DY756421 [0,0,0,1,0,1|2,0,0]=4 172 B10R1.560 CC1(C)CC(=O)C(C)(C)O1 DY759560 [0,1,0,1,0,0|0,0,2]=4 173 B10R1.31 CC(=O)N1CCC(CI)C1 DY585684 [0,1,0,1,0,0|2,0,0]=4 174 B8R0.28 CC(=O)CCC=C(C)C DY506172 [1,0,0,0,0,1|0,0,2]=4 175 B8R0.28 CC(C)CCCC(=O)O DY564243 [1,0,0,0,0,1|1,0,1]=4 176 B8R0.28 CN(C)C\C=C\C(=O)O NO15971 [1,0,0,0,0,1|2,0,0]=4 177 B8R0.28 CN(C)C\C=C\C(=O)O NO16134 [1,0,0,0,0,1|2,0,0]=4 178 B8R0.28 CN(C)C\C=C\C(N)=O DY538707 [1,0,0,0,0,1|2,0,0]=4