0 B8R0.28 CC(=O)CCC=C(C)C DY506172 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=O)CCCC(=O)O DY547923 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.28 CC(=O)NCCC(=O)O DY584556 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 CC(C)CCCC(=O)O DY564243 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.28 CC(C)CCCC(C)N DY822701 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.28 CC(C)COCC(C)C DY740839 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.28 CN(C)CCCC(=O)O NO18615 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.28 CN(C)CCSC(=N)N DY791973 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.28 CN(C)C\C=C\C(=O)O NO15971 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.28 CN(C)C\C=C\C(=O)O NO16134 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.28 CN(C)C\C=C\C(N)=O DY538707 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.28 N=C(N)NCCC(=O)O DY550569 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.28 NC(=O)CCCC(=O)O DY604617 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.28 NC(=O)CCCC(N)=O DY549807 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.28 NC(=O)COCC(=O)O DY604478 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.4 C#CCCCC(=O)O NO14686 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.4 CC(=O)CCCCBr NO10627 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.4 CC(C)OCCCN DY546693 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 CCCCCB(O)O NO22305 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.4 CCCCCC(=O)Cl DY822275 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.4 CCCCCC(C)O NO21570 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.4 CCCOCC(=O)O DY425744 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.4 CCCSCC(N)=O DY742801 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.4 CCO\C=C\C(=O)O NO22271 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.4 CN(C)CCCCCl DY551337 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 CN(C)CCCCO NO22813 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.4 CNCCCC(=O)O DY702793 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.4 CNCCCN(C)C DY584479 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.4 N#CCSCC(=O)O DY796389 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 O=C(Cl)CCCCCl DY460464 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.4 [N-]=[N+]=NCCC(=O)O DY457240 [1,0,0,0,0,0|3,0,0]=4 31 B9R0.1 COC(=O)\C=C\CN(C)C DY822715 [0,1,0,0,0,0|1,0,2]=4 32 B9R0.7 CC(=O)OC[C@H](N)C(=O)O DY428251 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.7 CC(C)CC[C@H](N)C(=O)O NO10576 [0,1,0,0,0,0|0,0,0]=1 34 B9R0.7 CC(C)COC(C)C(=O)O DY585447 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O DY539841 [0,1,0,0,0,0|2,0,0]=3 36 B9R0.7 NC(=O)[C@H](N)CCC(=O)O DY437668 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.7 NC(CCC(=O)O)C(=O)O NO15295 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DY437662 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DY822470 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] DY792687 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.53 CC(C)CC(N)CC(=O)O NO19014 [0,1,0,0,0,0|0,0,0]=1 42 B9R0.53 CC(C)C[C@@H](N)CC(=O)O DY701461 [0,1,0,0,0,0|0,0,0]=1 43 B9R0.53 CC(C)C[C@H](N)CC(=O)O DY439109 [0,1,0,0,0,0|0,0,0]=1 44 B9R0.53 NC(CC(=O)O)CC(=O)O DY439301 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.56 CC(=O)OCC[N+](C)(C)C DY799053 [0,1,0,0,0,0|3,0,0]=4 46 B9R0.56 CC(C)(N)COCC(=O)O DY628593 [0,1,0,0,0,0|1,0,0]=2 47 B9R0.56 CC(C)CCCC(C)(C)O DY517797 [0,1,0,0,0,0|1,0,1]=3 48 B9R0.56 CC(C)CNCC(C)(C)O DY520773 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.56 CC(N)CCCC(C)(C)O DY559527 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.35 CC(=O)N1CCC(N)C1 DY665434 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.35 CC(C)C1CNC(=O)C1 DY578559 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.35 CC(C)[C@H]1COC(=O)N1 NO22803 [0,0,0,1,0,0|2,0,0]=3 53 B9R1.35 CC1CN[C@H](C(=O)O)C1 DY586580 [0,0,0,1,0,0|1,0,0]=2 54 B9R1.35 CN1CCC(C(=O)O)C1 DY444131 [0,0,0,1,0,0|1,0,0]=2 55 B9R1.35 CN1CCC(C(=O)O)C1 NO18297 [0,0,0,1,0,0|1,0,0]=2 56 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586577 [0,0,0,1,0,0|1,0,0]=2 57 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586579 [0,0,0,1,0,0|1,0,0]=2 58 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 DY586578 [0,0,0,1,0,0|1,0,0]=2 59 B9R1.35 NC(=O)N1CCC(N)C1 DY585747 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 DY718227 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.35 NC1CCC(C(=O)O)C1 NO16161 [0,0,0,1,0,0|1,0,0]=2 62 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 DY529041 [0,0,0,1,0,0|1,0,0]=2 63 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 DY628863 [0,0,0,1,0,0|1,0,0]=2 64 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 NO14934 [0,0,0,1,0,0|1,0,0]=2 65 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 DY627831 [0,0,0,1,0,0|1,0,2]=4 66 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 NO17903 [0,0,0,1,0,0|1,0,0]=2 67 B9R1.35 O=C(O)[C@@H]1C[C@@H](I)CN1 DY515055 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 NO18304 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 DY620370 [0,0,0,1,0,0|1,0,0]=2 70 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 DY526479 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 NO19994 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 NO22793 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 NO12039 [0,0,0,1,0,0|2,0,0]=3 74 B9R1.35 O=C1CCC(C(=O)O)C1 NO19439 [0,0,0,1,0,0|1,0,1]=3 75 B9R1.35 O=C1CCC(C(=O)O)N1 DY525489 [0,0,0,1,0,0|2,0,1]=4 76 B9R1.35 O=C1CCC(C(=O)O)O1 DY759482 [0,0,0,1,0,0|2,0,1]=4 77 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 DY625441 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 DY438135 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.35 O=C1CC[C@H](C(=O)O)N1 NO22212 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.35 O=C1CNC(C(=O)O)C1 DY583413 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.35 O=C1C[C@H](C(=O)O)CN1 DY547731 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.49 CN1CCCC(=O)CC1 NO13899 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.49 CN1CCCC(O)CC1 DY685139 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.49 CN1CCCC(O)CC1 NO13879 [0,0,0,1,0,0|2,0,1]=4 85 B9R1.49 O=C1CCCC(O)CN1 DY743185 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 DY103481 [0,0,0,1,0,0|1,0,0]=2 87 B9R1.66 CC1(C)CC(=O)CCO1 NO17870 [0,0,0,1,0,0|2,0,0]=3 88 B9R1.66 CC1(C)CCCC(=O)C1 DY10482 [0,0,0,1,0,0|1,0,0]=2 89 B9R1.66 CC1CCCC(F)(F)C1 DY569799 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.161 CC(C)[C@H]1C[C@@H]1C(=O)O DY586271 [0,0,0,1,0,0|0,0,0]=1 91 B9R1.170 O=C(O)CC1CC1(F)F DY513207 [0,0,0,1,0,0|2,0,0]=3 92 B7R0.6 C=C(C)CCC(=O)O NO16527 [0,0,0,0,1,0|0,0,2]=3 93 B7R0.6 CC(=O)CCC(=O)O NO18688 [0,0,0,0,1,0|1,0,1]=3 94 B7R0.6 CC(=O)NCC(=O)O NO19131 [0,0,0,0,1,0|2,0,1]=4 95 B7R0.6 CC(=O)SCC(=O)O DY447723 [0,0,0,0,1,0|2,0,1]=4 96 B7R0.6 CC(C)CCC(=N)N DY611066 [0,0,0,0,1,0|2,0,0]=3 97 B7R0.6 CN(C)CCC(=O)O NO12169 [0,0,0,0,1,0|1,0,0]=2 98 B7R0.6 C[C@@H](O)CC[C@@H](C)O DY459360 [0,0,0,0,1,0|2,0,1]=4 99 B9R0.55 CC(=O)NCCCC(=O)O DY547305 [0,0,0,0,0,1|1,0,1]=3 100 B9R0.55 O=C(O)CCCCC(=O)O DY522735 [0,0,0,0,0,1|2,0,1]=4 101 B6R0.4 C#CCCC(=O)O DY428029 [2,0,0,0,0,0|0,0,2]=4 102 B6R0.4 C=CCCC(=O)O NO15216 [2,0,0,0,0,0|0,0,2]=4 103 B6R0.4 C=COCC(C)C DY822723 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.4 CC(=O)CCCBr NO10305 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.4 CC(=O)CCCCl NO10334 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.4 CC(C)CCCBr DY740443 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.4 CC(C)NCCN DY20461 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.4 CCCCC(C)O DY740779 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.4 CCCC[SiH](C)C DY500283 [2,0,0,0,0,0|0,1,1]=4 110 B6R0.4 CCNCC(C)C DY564723 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.4 CN(C)CCCBr NO22184 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.4 CN(C)CCCCl NO13505 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.4 CN(C)CCCCl NO14943 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.4 CNCCC(C)C DY543681 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.4 CNCCC(C)C DY553713 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.4 CSCCC(C)=O DY740809 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.4 N#CCCC(=O)O NO22262 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.4 NCCCC(=O)O NO14998 [2,0,0,0,0,0|1,0,0]=3 119 B6R0.4 NCCNC(=O)O DY822495 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.4 O=C(O)CCCBr NO14053 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.6 C=CCCCCCl DY427568 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.6 C=CCCCCO NO10397 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.6 CCCCON=O DY461106 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.6 CCCOCCO DY740785 [2,0,0,0,0,0|1,0,1]=4 125 B6R0.6 CNCCCCO DY554133 [2,0,0,0,0,0|1,0,1]=4 126 B6R0.6 COCCCCO DY741295 [2,0,0,0,0,0|1,0,1]=4 127 B6R0.6 O=CCCCC=O DY822316 [2,0,0,0,0,0|1,0,1]=4 128 B6R0.6 O=CCCCCBr DY510224 [2,0,0,0,0,0|1,0,0]=3 129 B6R0.6 OCCCCCCl NO14778 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.6 OCCCCCF DY822292 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.6 OCCCCCO NO20549 [2,0,0,0,0,0|1,0,1]=4 132 B8R0.6 CCCCNC(=O)CCl NO11766 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.6 O=CCCCC(O)C=O DY822725 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.7 CCCCCCC(=O)O DY822462 [1,1,0,0,0,0|0,0,0]=2 135 B8R0.7 CCCCCC[C@H](C)O DY626179 [1,1,0,0,0,0|1,0,1]=4 136 B8R0.7 CCOCCOC(=O)Cl DY797049 [1,1,0,0,0,0|2,0,0]=4 137 B8R0.7 CN(C)CCNCCO DY552351 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.7 CN(C)CCOCCO DY531015 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.7 CSCCCCC(=O)O DY112374 [1,1,0,0,0,0|0,0,0]=2 140 B8R0.7 NCCCCCC(=O)O NO13381 [1,1,0,0,0,0|0,0,0]=2 141 B8R0.7 NCCOCCC(=O)O DY739157 [1,1,0,0,0,0|1,0,0]=3 142 B8R0.7 O=C(O)CCCCCBr NO18405 [1,1,0,0,0,0|0,0,0]=2 143 B8R0.8 CCCC[C@H](C)C(=O)O DY585471 [1,1,0,0,0,0|0,0,0]=2 144 B8R0.8 CSCCC(N)C(=O)O DY500936 [1,1,0,0,0,0|1,0,0]=3 145 B8R0.8 CSCC[C@H](N)C(=O)O NO18644 [1,1,0,0,0,0|1,0,0]=3 146 B8R0.8 NCCC[C@@H](N)C(=O)O DY550209 [1,1,0,0,0,0|1,0,0]=3 147 B8R0.8 NCCC[C@H](N)C(=O)O NO22279 [1,1,0,0,0,0|1,0,0]=3 148 B8R0.9 CC(C)NC[C@H](O)CO DY437814 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.9 COC(=O)CCC(=O)O NO11694 [1,1,0,0,0,0|1,0,1]=4 150 B8R0.9 NCC(=O)CCC(=O)O DY34214 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.9 NCC(=O)CCC(=O)O NO10222 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.21 CCCCCS(=O)(=O)[O-] DY445019 [1,1,0,0,0,0|1,0,1]=4 153 B8R0.21 CCCCCS(=O)(=O)[O-] DY445025 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.23 C=C(CC(C)C)C(C)=O DY740959 [0,1,0,0,1,0|1,0,1]=4 155 B8R0.23 CC(C)C(C)CC(=O)O DY112320 [0,1,0,0,1,0|0,0,0]=2 156 B8R0.23 CC(C)CC(Br)C(=O)O NO14792 [0,1,0,0,1,0|0,0,0]=2 157 B8R0.23 CC(C)CC(N)C(=O)O NO22248 [0,1,0,0,1,0|0,0,0]=2 158 B8R0.23 CC(C)C[C@@H](N)C(=O)O NO18600 [0,1,0,0,1,0|0,0,0]=2 159 B8R0.23 CC(C)C[C@@H](N)C(N)=O DY437833 [0,1,0,0,1,0|1,0,0]=3 160 B8R0.23 CC(C)C[C@H](N)C(=O)O NO18604 [0,1,0,0,1,0|0,0,0]=2 161 B8R0.23 CC(C)OC(C)C(=O)O DY603788 [0,1,0,0,1,0|1,0,0]=3 162 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O DY501789 [0,1,0,0,1,0|2,0,0]=4 163 B8R0.29 CC(C)(N)CCC(=O)O DY610628 [0,1,0,0,1,0|0,0,0]=2 164 B8R0.29 O=C(O)CCC(F)(F)F NO22479 [0,1,0,0,1,0|2,0,0]=4 165 B10R0.55 COC(=O)CCCCC(=O)O NO19614 [0,1,0,0,0,1|1,0,1]=4 166 B10R0.98 CN(C)CCC[C@H](N)C(=O)O DY628311 [0,1,0,0,0,1|1,0,0]=3 167 B10R0.3 CCOC(=O)CCCC(=O)O DY461244 [0,2,0,0,0,0|1,0,1]=4 168 B10R0.3 CCOC(=O)CCNC(C)C DY461304 [0,2,0,0,0,0|1,0,0]=3 169 B10R0.44 COC(=O)CC(C)CC(=O)O NO18924 [0,2,0,0,0,0|1,0,1]=4 170 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O DY437674 [0,2,0,0,0,0|1,0,1]=4 171 B10R0.57 COC(=O)[C@@H](N)CCC(C)C DY625885 [0,2,0,0,0,0|0,0,0]=2 172 B10R0.60 CCC(C)CCCC(C)(C)O DY792507 [0,2,0,0,0,0|1,0,1]=4 173 B10R0.60 COC(=O)CCN[N+](C)(C)C DY504957 [0,2,0,0,0,0|2,0,0]=4 174 B10R0.65 CCC(C)(O)CCCC(C)C DY571707 [0,2,0,0,0,0|1,0,1]=4 175 B10R0.82 COC(=O)CC[C@H](N)C(=O)O DY700795 [0,2,0,0,0,0|1,0,1]=4 176 B10R0.82 COC(=O)CC[C@H](N)C(=O)O NO22254 [0,2,0,0,0,0|1,0,1]=4 177 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O NO11444 [0,2,0,0,0,0|1,0,0]=3 178 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O DY437960 [0,2,0,0,0,0|2,0,0]=4 179 B10R0.31 CC(C)(C)OC(=O)CC(=O)O DY10151 [0,2,0,0,0,0|1,0,1]=4 180 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] DY436844 [0,2,0,0,0,0|1,0,1]=4 181 B10R0.70 CC(C)CC(CN)CC(=O)O DY20754 [0,2,0,0,0,0|0,0,0]=2 182 B8R1.1 CCC1COC(=O)N1 DY607707 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.1 C[C@@H]1CN[C@H](CO)C1 DY620034 [1,0,0,1,0,0|1,0,1]=4 184 B8R1.1 NCC1CNC(=O)O1 DY529719 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.1 O=C1CCC(CO)N1 DY564003 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.1 O=C1NC[C@@H](CO)O1 DY583311 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.4 CC1CCCN(N)C1 DY774663 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.4 CC1CCNC(=O)N1 DY694421 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.4 CN1CCCC(=O)C1 DY774909 [1,0,0,1,0,0|1,0,0]=3 192 B8R1.4 CN1CCNC(=O)C1 NO13438 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.4 CN1CCOC(=O)C1 NO17566 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.4 C[C@@H]1CC(=O)CCN1 DY586650 [1,0,0,1,0,0|1,0,0]=3 195 B8R1.4 C[C@@H]1CCC[C@H](O)C1 DY757141 [1,0,0,1,0,0|0,0,1]=3 196 B8R1.4 C[C@H]1C[C@@H](O)CCN1 DY102289 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.4 NC1CCCC(O)C1 NO17342 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.4 NC1CCCC(O)C1 NO18558 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.4 NC1CCNC(=O)C1 NO15459 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.4 N[C@H]1CCC[C@H](O)C1 DY513927 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.4 O=C1CCCC(=O)C1 NO19094 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.4 O=C1CCCC(=O)O1 NO11243 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.4 O=C1C[C@@H](O)CCN1 DY555969 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.4 O=S1CCCC(Br)C1 DY586414 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.6 CCCC1CC(=O)C1 DY561087 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.7 CC(=O)C1CCCC1 DY445790 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.7 CC(=O)C1CCCC1 NO20673 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.7 CC(=O)C1CCCO1 DY586599 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.7 CC(=O)[C@H]1CCCN1 DY586041 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.7 CC(=O)[C@H]1CCCO1 DY586598 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.7 CC(N)C1CCCO1 DY580113 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.7 CC(O)C1CCCC1 DY757207 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.7 N=C(N)C1CCCC1 DY585765 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.7 NC(=O)C1CCCC1 DY794313 [1,0,0,1,0,0|1,0,0]=3 215 B8R1.7 NC(=O)C1CCNC1 DY555753 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.7 NC(=O)C1CCNC1 DY565263 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.7 NC(=O)N1CCCC1 DY717045 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.7 NC(=O)[C@@H]1CCCN1 NO22629 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.7 NC(=O)[C@H]1CCCN1 DY438122 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.7 O=C(O)C1=NCCC1 DY584439 [1,0,0,1,0,0|1,0,1]=4 221 B8R1.7 O=C(O)C1CCCN1 NO18287 [1,0,0,1,0,0|1,0,0]=3 222 B8R1.7 O=C(O)C1CCCO1 DY20393 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.7 O=C(O)C1CCNC1 NO18444 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.7 O=C(O)C1CCNC1 NO19637 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.7 O=C(O)C1CCOC1 DY444586 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.7 O=C(O)C1CCSS1 DY566085 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.7 O=C(O)C1NCCS1 NO16514 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [1,0,0,1,0,0|1,0,0]=3 229 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [1,0,0,1,0,0|1,0,0]=3 230 B8R1.7 O=C(O)[C@@H]1CSCN1 DY20446 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.7 O=C(O)[C@H]1CCCN1 NO22249 [1,0,0,1,0,0|1,0,0]=3 232 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [1,0,0,1,0,0|1,0,0]=3 233 B8R1.7 O=C(O)[C@H]1CCNC1 DY569091 [1,0,0,1,0,0|1,0,0]=3 234 B8R1.7 O=C(O)[C@H]1CSCN1 NO15627 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.19 CC1(C)CCCC1N DY540435 [1,0,0,1,0,0|1,0,1]=4 236 B8R1.22 C=C1OCCCCO1 DY567825 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.22 O=C1CCCCCC1 DY461238 [1,0,0,1,0,0|1,0,0]=3 238 B8R1.22 O=C1CCCNCC1 NO19096 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.22 O=C1CCNCCN1 NO18857 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.22 O=C1OCCCCO1 DY770703 [1,0,0,1,0,0|1,0,0]=3 241 B8R1.34 O=C(O)C=C1CCC1 DY544251 [1,0,0,1,0,0|0,0,2]=4 242 B8R1.34 O=C(O)CC1CCC1 NO11177 [1,0,0,1,0,0|0,0,0]=2 243 B8R1.34 O=C(O)CC1CCN1 DY584158 [1,0,0,1,0,0|1,0,0]=3 244 B8R1.34 O=C(O)CN1CCC1 DY719380 [1,0,0,1,0,0|1,0,0]=3 245 B8R1.35 CC(C)OCC1CO1 DY553215 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.35 O=C(O)CCC1CC1 NO19562 [1,0,0,1,0,0|0,0,0]=2 247 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O DY586259 [1,0,0,1,0,0|0,0,0]=2 248 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O DY586268 [1,0,0,1,0,0|0,0,0]=2 249 B8R1.72 CC1(C)CCCNC1 DY510344 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.3 CC1CCC(=O)OC1 DY777526 [0,0,0,1,1,0|0,0,0]=2 251 B8R1.3 CC1CCC(O)CC1 DY562059 [0,0,0,1,1,0|1,0,1]=4 252 B8R1.3 CN1CCC(=O)CC1 DY634332 [0,0,0,1,1,0|2,0,0]=4 253 B8R1.3 CN1CCC(=O)CC1 NO18410 [0,0,0,1,1,0|2,0,0]=4 254 B8R1.3 NC1CCC(=O)CC1 NO22583 [0,0,0,1,1,0|2,0,0]=4 255 B8R1.3 NC1CCC(=O)NC1 DY444382 [0,0,0,1,1,0|2,0,0]=4 256 B8R1.3 O=C1CCC(O)CC1 NO22889 [0,0,0,1,1,0|2,0,0]=4 257 B8R1.3 O=C1CC[C@@H](O)CN1 DY502941 [0,0,0,1,1,0|2,0,0]=4 258 B8R1.23 CC1CC(C(=O)O)C1 NO15188 [0,0,0,1,1,0|0,0,0]=2 259 B8R1.23 CN1CC(C(=O)O)C1 DY444119 [0,0,0,1,1,0|1,0,0]=3 260 B8R1.23 NC1CC(C(=O)O)C1 DY10550 [0,0,0,1,1,0|1,0,0]=3 261 B8R1.23 NC1CC(C(=O)O)C1 DY756217 [0,0,0,1,1,0|1,0,0]=3 262 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO15871 [0,0,0,1,1,0|1,0,0]=3 263 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO18457 [0,0,0,1,1,0|1,0,0]=3 264 B8R1.23 O=C(O)C1CC(O)C1 NO13147 [0,0,0,1,1,0|1,0,0]=3 265 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 DY104924 [0,0,0,1,1,0|1,0,0]=3 266 B8R1.23 O=C1CC(C(=O)O)C1 NO18894 [0,0,0,1,1,0|1,0,1]=4 267 B8R1.51 CC1(C)CNC(=O)C1 NO22480 [0,0,0,1,1,0|2,0,0]=4 268 B8R1.77 CC1(C)C[C@@H]1C(=O)O NO19841 [0,0,0,1,1,0|0,0,0]=2 269 B10R1.54 CC(C)C[C@H]1CCC(=O)N1 DY513969 [0,0,0,1,0,1|1,0,0]=3 270 B10R1.54 O=C(O)CN1CCC(=O)C1 DY666191 [0,0,0,1,0,1|1,0,1]=4 271 B10R1.54 O=C(O)C[C@H]1CNC(=O)C1 DY585996 [0,0,0,1,0,1|1,0,1]=4 272 B10R1.113 CC(=O)N1CCC[C@@H](O)C1 DY626732 [0,0,0,1,0,1|2,0,0]=4 273 B10R1.113 CC(C)C1CC(=O)CCN1 DY774399 [0,0,0,1,0,1|1,0,0]=3 274 B10R1.113 CC(C)C1CCCC(=O)C1 DY756979 [0,0,0,1,0,1|1,0,0]=3 275 B10R1.113 CC(C)C1CCCC(=O)N1 DY585707 [0,0,0,1,0,1|1,0,0]=3 276 B10R1.113 CC(C)[C@@H]1COCC(=O)N1 DY501044 [0,0,0,1,0,1|1,0,0]=3 277 B10R1.113 CC(C)[C@H]1COCC(=O)N1 DY516069 [0,0,0,1,0,1|1,0,0]=3 278 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 NO13084 [0,0,0,1,0,1|0,0,0]=2 279 B10R1.113 NC1CCCC(C(=O)O)C1 NO19619 [0,0,0,1,0,1|1,0,0]=3 280 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 NO14264 [0,0,0,1,0,1|1,0,0]=3 281 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 NO17221 [0,0,0,1,0,1|1,0,0]=3 282 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 NO17237 [0,0,0,1,0,1|1,0,0]=3 283 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 DY540669 [0,0,0,1,0,1|1,0,0]=3 284 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 DY620581 [0,0,0,1,0,1|1,0,0]=3 285 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 DY113049 [0,0,0,1,0,1|1,0,1]=4 286 B10R1.128 CC1(C)CNCC1C(=O)O NO14764 [0,0,0,1,0,1|0,0,0]=2 287 B10R1.128 CC1(C)SCN[C@@H]1C(=O)O DY569163 [0,0,0,1,0,1|1,0,0]=3 288 B10R1.128 CC1(C)SCN[C@H]1C(=O)O DY438068 [0,0,0,1,0,1|1,0,0]=3 289 B10R1.13 CC(=O)C1CC=C(C)CC1 NO14813 [0,1,0,1,0,0|1,0,1]=4 290 B10R1.13 CC(=O)C1CCC(C)CC1 DY535101 [0,1,0,1,0,0|1,0,0]=3 291 B10R1.13 CC(=O)C1CCN(C)CC1 DY538803 [0,1,0,1,0,0|2,0,0]=4 292 B10R1.13 CC(C)N1CCC(=O)CC1 DY559023 [0,1,0,1,0,0|2,0,0]=4 293 B10R1.13 CC1=CCC(C(=O)O)CC1 DY460152 [0,1,0,1,0,0|0,0,1]=3 294 B10R1.13 CC1CCC(C(N)=O)CN1 DY425228 [0,1,0,1,0,0|1,0,0]=3 295 B10R1.13 NC(=O)C1CCC(N)CC1 DY575013 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 NO14216 [0,1,0,1,0,0|1,0,0]=3 297 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 NO12037 [0,1,0,1,0,0|1,0,0]=3 298 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 NO14217 [0,1,0,1,0,0|1,0,0]=3 299 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 DY527007 [0,1,0,1,0,0|1,0,0]=3 300 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 DY428316 [0,1,0,1,0,0|1,0,0]=3 301 B10R1.14 COC(=O)C1CCC(N)C1 NO17586 [0,1,0,1,0,0|1,0,0]=3 302 B10R1.14 COC(=O)C1CNC(C)C1 DY520101 [0,1,0,1,0,0|1,0,0]=3 303 B10R1.14 COC(=O)N1CCC(N)C1 DY585745 [0,1,0,1,0,0|2,0,0]=4 304 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 DY104918 [0,1,0,1,0,0|1,0,1]=4 305 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 NO18459 [0,1,0,1,0,0|2,0,0]=4 306 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 DY586640 [0,1,0,1,0,0|2,0,0]=4 307 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 NO11437 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 DY586646 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.31 CC(=O)N1CCC(CI)C1 DY585684 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.150 COC(=O)CC1CC(=O)C1 NO15796 [0,1,0,1,0,0|1,0,1]=4 311 B10R1.150 COC(=O)C[C@H]1C[C@@H](O)C1 DY507950 [0,1,0,1,0,0|1,0,0]=3 312 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C DY536097 [0,1,0,1,0,0|0,0,0]=2 313 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O DY558645 [0,1,0,1,0,0|1,0,1]=4 314 B10R1.416 COC(=O)C1NCC1(C)C DY719434 [0,1,0,1,0,0|1,0,0]=3 315 B10R1.58 C[C@@H]1C[C@@H](C(=O)O)N[C@@H]1C DY525111 [0,1,0,1,0,0|1,0,0]=3 316 B10R1.81 NC(C(=O)O)C1CC(F)C1 DY703771 [0,1,0,1,0,0|1,0,0]=3 317 B10R1.83 CC1(C)C(N)CC1C(=O)O DY113164 [0,1,0,1,0,0|0,0,0]=2 318 B10R1.359 CC1(C)CCC(C(=O)O)N1 DY628815 [0,1,0,1,0,0|0,0,0]=2 319 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 DY110824 [0,1,0,1,0,0|1,0,0]=3 320 B10R1.359 CC1(C)OC[C@@H](C(=O)O)O1 DY502419 [0,1,0,1,0,0|1,0,0]=3 321 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 NO15698 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.470 C[C@@]1(C(=O)O)C[C@@H](O)CN1 DY627921 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.59 CN1C[C@H](N)C[C@H]1C(=O)O DY606615 [0,1,0,1,0,0|2,0,0]=4 324 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 DY566601 [0,1,0,1,0,0|1,0,0]=3 325 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 DY578571 [0,1,0,1,0,0|1,0,0]=3 326 B10R1.329 CC1(C)OC(=O)CC(=O)O1 DY20692 [0,1,0,1,0,0|1,0,1]=4 327 B10R1.371 CC1(C)CC(=CC(=O)O)C1 DY756421 [0,1,0,1,0,0|0,0,2]=4 328 B10R1.55 CC(C)(C)[C@@H]1COC(=O)N1 DY523077 [0,1,0,1,0,0|2,0,0]=4 329 B10R1.347 O=C(O)C1CC1C(F)(F)F DY431913 [0,1,0,1,0,0|2,0,0]=4 330 B10R1.347 O=C(O)[C@H]1C[C@@H]1C(F)(F)F DY530721 [0,1,0,1,0,0|2,0,0]=4 331 B10R2.14 O=C1CC[C@@H](C2CC2)N1 DY586260 [0,0,0,2,0,0|1,0,0]=3 332 B10R2.178 O=C1NCC2CCC1N2 DY105362 [0,0,0,2,0,0|2,0,0]=4 333 B10R2.314 [C@H]12C[C@H](O)C[C@H]1C2(C)C DY620196 [0,0,0,2,0,0|1,0,1]=4 334 B10R2.355 O=C(O)C1NCC2CC21 DY685493 [0,0,0,2,0,0|1,0,0]=3 335 B10R2.357 NC(=O)[C@@H]1C[C@H]2C[C@H]2N1 DY460908 [0,0,0,2,0,0|2,0,0]=4 336 B10R2.357 NC(=O)[C@@H]1C[C@H]2C[C@H]2N1 NO17814 [0,0,0,2,0,0|2,0,0]=4 337 B10R2.357 O=C(O)[C@H]1C[C@H]2C[C@H]2N1 DY511905 [0,0,0,2,0,0|1,0,0]=3 338 B10R2.534 O=C1CCCC2(CC2)N1 NO17693 [0,0,0,2,0,0|1,0,0]=3 339 B6R0.2 CC(=O)NC(C)C DY461094 [0,0,0,0,2,0|2,0,0]=4 340 B6R0.2 CC(C)=CC(=O)O NO14947 [0,0,0,0,2,0|0,0,2]=4 341 B6R0.2 CC(C)CB(O)O NO22276 [0,0,0,0,2,0|1,0,1]=4 342 B6R0.2 CC(O)CC(=O)[O-] DY460020 [0,0,0,0,2,0|1,0,1]=4 343 B6R0.2 CN(C)CC(=O)O NO13413 [0,0,0,0,2,0|1,0,0]=3 344 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [0,0,0,0,2,0|1,0,0]=3 345 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [0,0,0,0,2,0|1,0,1]=4 346 B6R0.2 C[C@H](N)CC(=O)O NO20346 [0,0,0,0,2,0|1,0,0]=3 347 B6R0.2 C[C@H](O)CC(=O)O DY426021 [0,0,0,0,2,0|1,0,0]=3 348 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [0,0,0,0,2,0|1,0,1]=4