0 B6R0.3 C=C(C#N)C(=O)O DY741055 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 C=CC(C)C(=O)O DY559155 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.3 C=CC(O)C(=O)O DY586439 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.3 C=C[C@H](N)C(=O)O DY21080 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 CC(=O)C(C)C=O DY459582 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CCC(=O)C(=O)O NO21626 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.3 CCC(N)C(=O)O NO14084 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.3 CCC(O)C(=O)O DY562593 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.3 CCC(O)C(=O)[O-] DY557445 [0,0,0,0,0,0|1,0,3]=4 9 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.3 CC[C@H](N)C(=O)O NO13661 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.3 CC[C@H](N)C(N)=O DY436006 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.3 CC[C@H](N)C(N)=O NO15891 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [0,0,0,0,0,0|1,0,1]=2 16 B6R0.3 CN[C@@H](C)C(N)=O DY608441 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.3 COC(C)C(=O)O NO14024 [0,0,0,0,0,0|1,0,1]=2 18 B6R0.3 CON(C)C(C)=O NO11789 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [0,0,0,0,0,0|1,0,2]=3 20 B6R0.3 NC(=O)\C(N)=N\O DY607877 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.3 NC(CO)C(=O)O NO18949 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.3 NC(CS)C(=O)O NO19655 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.3 NCC(N)C(=O)O DY702709 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.3 NCC(N)C(=O)O DY703093 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.3 NCC(N)C(=O)O NO19624 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.3 NC[C@H](N)C(=O)O NO14756 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [0,0,0,0,0,0|2,0,2]=4 32 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.3 N[C@H](CO)C(=O)O NO14731 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.3 N[C@H](CS)C(=O)O DY439001 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.3 N[C@H](CS)C(=O)O NO19417 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.3 O=C(O)C(Br)CBr NO15215 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.3 O=C(O)C(Br)CF DY741307 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.3 O=C(O)C(O)CCl DY10790 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.3 O=C(O)[C@H](O)CS DY740539 [0,0,0,0,0,0|2,0,2]=4 41 B5R0.1 CC#CC(=O)O DY20776 [1,0,0,0,0,0|0,0,2]=3 42 B5R0.1 CC(=O)\C=N\O NO11520 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 CC(=O)\C=N\O NO18968 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CCCC(=O)[O-] DY822775 [1,0,0,0,0,0|0,0,3]=4 45 B5R0.1 CCCC(C)=O NO21731 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.1 CCNC(C)=O DY564051 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CNCC(=O)O NO18595 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.1 COCC(=O)O NO11579 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.1 CSCC(=O)O DY543879 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.1 CSCC(N)=O NO12608 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 C\C=C\C(=O)O DY41882 [1,0,0,0,0,0|0,0,0]=1 52 B5R0.1 C\C=C\[C@H](C)O DY791877 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.1 NCCC(=O)O NO13499 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.1 N\C=C\C(N)=O DY741355 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 O=C(O)OCCl DY523719 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.3 COC(=O)CO NO19433 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.3 CO[C@H](C)CO NO12306 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.3 O=CC(Br)C=O NO18151 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.5 C=C(C)C(=O)O DY740707 [1,0,0,0,0,0|0,0,0]=1 60 B5R0.5 CC(=O)C(C)C DY740329 [1,0,0,0,0,0|1,0,1]=3 61 B5R0.5 CC(=O)C(C)Cl DY740749 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.5 CC(C)B(O)O DY454222 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.5 CC(C)C(N)=O NO21696 [1,0,0,0,0,0|1,0,1]=3 64 B5R0.5 CC(O)C(N)=O DY538347 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.5 CN(C)C(=S)[S-] DY822456 [1,0,0,0,0,0|1,2,0]=4 66 B5R0.5 C[C@@H](Br)C(=O)O DY788601 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.5 C[C@@H](N)C(N)=O NO15732 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.5 C[C@@H](O)C(=O)[O-] DY580071 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.5 C[C@H](Br)C(=O)O DY20444 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.5 C[C@H](Cl)C(=O)O DY20315 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.5 C[C@H](N)C(=O)O NO19143 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.5 C[C@H](N)C(=O)S DY572427 [1,0,0,0,0,0|1,1,1]=4 73 B5R0.5 C[C@H](N)C(N)=O NO22529 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.5 C[C@H](O)C(N)=O DY624997 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.5 N=C(N)S(=O)O DY531987 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.5 NC(=O)C(N)=O DY20822 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.5 O=C(O)C(=O)O DY563517 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.5 O=C(O)C(=O)O DY822364 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.5 O=C(O)C(=O)O NO11387 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.5 O=C(O)C(Cl)Cl DY740833 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.5 O=C([O-])C(=O)O DY822607 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.5 O=C([O-])C(=O)[O-] DY114602 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.5 O=C([O-])C(=O)[O-] DY506772 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.5 O=C([O-])C(=O)[O-] DY822276 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.5 O=C([O-])C(=O)[O-] DY822362 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.5 O=C([O-])C(=O)[O-] DY822363 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.5 O=C([O-])C(=O)[O-] DY822365 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.5 O=C([O-])C(=O)[O-] DY822603 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.5 O=C([O-])C(=O)[O-] DY822604 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.5 O=C([O-])C(=O)[O-] DY822608 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.5 O=C([O-])C(=O)[O-] DY822919 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.5 [13CH3]C(N)C(=O)O DY454719 [1,0,0,0,0,0|1,0,1]=3 93 B7R0.5 CCCC(C)C(C)=O DY740965 [0,1,0,0,0,0|1,0,2]=4 94 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [0,1,0,0,0,0|1,0,2]=4 96 B7R0.5 COC[C@@H](N)C(=O)O NO12183 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.5 COC[C@H](N)C(=O)O NO16755 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.5 COC[C@H](N)C(=O)O NO20335 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.5 NC(CCO)C(=O)O NO13886 [0,1,0,0,0,0|1,0,2]=4 100 B7R0.5 NCCC(N)C(=O)O DY700789 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.5 NCCC(N)C(=O)O NO15080 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.5 NCCC(O)C(=O)O NO15496 [0,1,0,0,0,0|1,0,2]=4 103 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.5 NCC[C@H](N)C(=O)O DY439091 [0,1,0,0,0,0|1,0,2]=4 105 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.5 N[C@@H](CCO)C(=O)O NO22620 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.5 N[C@H](CCO)C(=O)O NO16701 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.10 C=C(CBr)C(=O)OC NO11592 [0,1,0,0,0,0|1,0,2]=4 109 B7R0.10 C=C(CC)C(=O)OC DY541119 [0,1,0,0,0,0|0,0,2]=3 110 B7R0.10 CCC(Br)C(=O)OC NO14136 [0,1,0,0,0,0|1,0,2]=4 111 B7R0.10 CNC(=O)[C@H](C)NC DY608115 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.10 COC(=O)C(=O)CBr NO15824 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.10 COC(=O)C(C)OC DY822756 [0,1,0,0,0,0|1,0,1]=3 114 B7R0.10 COC(C)C(=O)NN DY604048 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.13 CC(C)(CN)C(=O)O DY535611 [0,1,0,0,0,0|1,0,2]=4 116 B7R0.13 CC(C)(CO)C(=O)O NO19743 [0,1,0,0,0,0|1,0,2]=4 117 B7R0.13 CC(N)(CO)C(=O)O DY559497 [0,1,0,0,0,0|1,0,2]=4 118 B7R0.13 CCC(C)(C)C(C)=O DY792897 [0,1,0,0,0,0|1,0,2]=4 119 B7R0.13 CCC(C)(N)C(=O)O DY628689 [0,1,0,0,0,0|0,0,2]=3 120 B7R0.13 C[C@](O)(CBr)C(=O)O NO14051 [0,1,0,0,0,0|1,0,2]=4 121 B7R0.15 CCC(CC)C(=O)[O-] DY21097 [0,1,0,0,0,0|0,0,3]=4 122 B7R0.15 CCN(CC)C(=O)Cl DY743005 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.15 CC[C@H](CO)C(=O)O DY621945 [0,1,0,0,0,0|0,0,2]=3 124 B7R0.15 COC(OC)C(C)=O DY20526 [0,1,0,0,0,0|2,0,1]=4 125 B7R0.16 CC(=O)C(=O)C(C)Br DY822550 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.16 CC(=O)C(C)C(C)=O DY572943 [0,1,0,0,0,0|1,0,1]=3 127 B7R0.16 CC(=O)C(Cl)C(C)=O DY461118 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.16 CC(=O)C(N)C(=O)O DY700663 [0,1,0,0,0,0|1,0,1]=3 129 B7R0.16 CC(Br)C(Br)C(=O)O DY822548 [0,1,0,0,0,0|1,0,2]=4 130 B7R0.16 CC(C)C(=O)C(=O)[O-] NO22357 [0,1,0,0,0,0|1,0,2]=4 131 B7R0.16 CC(C)[C@H](N)C(=O)O NO19285 [0,1,0,0,0,0|1,0,2]=4 132 B7R0.16 CN(C)C(=O)C(=O)O NO11735 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O NO22619 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.16 C[C@H](C(=O)O)N(C)C DY608460 [0,1,0,0,0,0|1,0,1]=3 135 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O DY702847 [0,1,0,0,0,0|1,0,2]=4 136 B7R0.16 C[C@H](O)[C@H](N)C(=O)O NO16722 [0,1,0,0,0,0|1,0,2]=4 137 B7R0.16 O=C(O)C(=O)C(Br)Br NO18490 [0,1,0,0,0,0|2,0,1]=4 138 B7R1.4 CC1=C(Br)SC=C1 NO13700 [0,0,0,1,0,0|1,1,1]=4 139 B7R1.4 CC1=CNN=C1C NO13346 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.4 CC1CCOC1=O DY759320 [0,0,0,1,0,0|0,0,2]=3 141 B7R1.4 CC1OCCC1=O NO14135 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.4 C[C@@H]1CCNC1=O DY546075 [0,0,0,1,0,0|1,0,2]=4 143 B7R1.4 C[C@H]1CCNC1=O DY560337 [0,0,0,1,0,0|1,0,2]=4 144 B7R1.4 NN1CCOC1=O DY774063 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.4 N[C@@H]1CCOC1=O NO18578 [0,0,0,1,0,0|1,0,2]=4 146 B7R1.4 N[C@H]1CCOC1=O DY541269 [0,0,0,1,0,0|1,0,2]=4 147 B7R1.4 O=C1CCC=C1Br DY504081 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.4 O=C1CCC=C1O NO14654 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.4 O=C1O[Cu]OC1=O DY560313 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.12 O=C(O)[C@@H]1C[C@@H]1O DY758659 [0,0,0,1,0,0|1,0,2]=4 151 B7R1.12 O=C(O)[C@@H]1C[C@H]1O DY758671 [0,0,0,1,0,0|1,0,2]=4 152 B7R1.12 O=C(O)[C@H]1C[C@H]1F DY21162 [0,0,0,1,0,0|1,0,2]=4 153 B7R1.18 O=C(O)C1CCC1 NO22786 [0,0,0,1,0,0|0,0,2]=3 154 B7R1.18 O=C(O)C1CCN1 NO18844 [0,0,0,1,0,0|1,0,1]=3 155 B7R1.18 O=C(O)C1CNC1 NO16485 [0,0,0,1,0,0|1,0,2]=4 156 B7R1.18 O=C(O)C1COC1 NO22389 [0,0,0,1,0,0|1,0,2]=4 157 B7R1.18 O=C(O)[C@@H]1CCN1 DY718876 [0,0,0,1,0,0|1,0,1]=3 158 B7R1.18 O=C(O)[C@H]1CCN1 NO16493 [0,0,0,1,0,0|1,0,1]=3 159 B7R1.18 O=C(O)[C@H]1CCN1 NO16972 [0,0,0,1,0,0|1,0,1]=3 160 B7R1.19 NC1(C(=O)O)CC1 DY567315 [0,0,0,1,0,0|1,0,2]=4 161 B7R1.19 NC1(C(=O)O)CC1 NO16477 [0,0,0,1,0,0|1,0,2]=4 162 B7R1.19 O=C(O)C1(Br)CC1 NO15760 [0,0,0,1,0,0|1,0,2]=4 163 B7R1.19 O=C(O)C1(F)CC1 NO13809 [0,0,0,1,0,0|1,0,2]=4 164 B7R0.2 CCC(=O)CC(C)=O NO21124 [0,0,0,0,0,1|2,0,1]=4 165 B7R0.2 CCC(=O)OC(C)=O NO16382 [0,0,0,0,0,1|2,0,1]=4 166 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [0,0,0,0,0,1|1,0,2]=4 167 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [0,0,0,0,0,1|1,0,2]=4 168 B7R0.2 CNC(=O)CC(=O)O DY604593 [0,0,0,0,0,1|2,0,0]=3 169 B7R0.2 CNC(C)CC(=O)O DY606375 [0,0,0,0,0,1|1,0,1]=3 170 B7R0.2 COC(=O)CC(=O)O NO13436 [0,0,0,0,0,1|2,0,0]=3 171 B7R0.2 COC(=O)CC(=O)[O-] DY41937 [0,0,0,0,0,1|2,0,1]=4 172 B7R0.2 COC(=O)CC(N)=O DY557829 [0,0,0,0,0,1|3,0,0]=4 173 B4R0.1 C=CC(N)=O DY822472 [2,0,0,0,0,0|1,0,0]=3 174 B4R0.1 CC(=O)CBr DY20986 [2,0,0,0,0,0|1,0,1]=4 175 B4R0.1 CC(=O)CN NO10921 [2,0,0,0,0,0|1,0,1]=4 176 B4R0.1 CC(=O)CO NO11467 [2,0,0,0,0,0|1,0,1]=4 177 B4R0.1 CC(=O)NN NO10881 [2,0,0,0,0,0|2,0,0]=4 178 B4R0.1 CC(=O)NO NO14961 [2,0,0,0,0,0|2,0,0]=4 179 B4R0.1 CC(C)=NO NO10884 [2,0,0,0,0,0|1,0,0]=3 180 B4R0.1 CC(C)CO DY740701 [2,0,0,0,0,0|0,0,2]=4 181 B4R0.1 CCC(N)=O NO11886 [2,0,0,0,0,0|1,0,1]=4 182 B4R0.1 COC(N)=O NO11667 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.1 C\C(N)=N\O NO10879 [2,0,0,0,0,0|2,0,0]=4 184 B4R0.1 C\C=C(/C)Br DY10255 [2,0,0,0,0,0|1,0,0]=3 185 B4R0.1 NCC(=O)O NO19951 [2,0,0,0,0,0|1,0,1]=4 186 B4R0.1 O=C(O)CO NO19334 [2,0,0,0,0,0|1,0,1]=4 187 B4R0.2 C#C\C=C\C DY822380 [2,0,0,0,0,0|1,0,1]=4 188 B4R0.2 COCC=O DY740317 [2,0,0,0,0,0|1,0,1]=4 189 B6R0.1 CCOC(=O)CO NO11386 [1,1,0,0,0,0|1,0,1]=4 190 B6R0.1 COC(=O)CC=O DY740485 [1,1,0,0,0,0|1,0,1]=4 191 B6R0.1 COC(=O)CSC DY460536 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.2 CC(C)=CC(=O)O NO14947 [1,1,0,0,0,0|0,0,0]=2 193 B6R0.2 CC(C)=CC(N)=O DY795567 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.2 CN(C)CC(=O)O NO13413 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [1,1,0,0,0,0|0,0,2]=4 196 B6R0.2 C[C@H](N)CC(=O)O NO20346 [1,1,0,0,0,0|0,0,2]=4 197 B6R0.2 C[C@H](O)CC(=O)O DY426021 [1,1,0,0,0,0|0,0,2]=4 198 B6R0.4 C=CCCC(=O)O NO15216 [1,1,0,0,0,0|0,0,2]=4 199 B6R0.4 C=C\C=C\C(=O)O NO12033 [1,1,0,0,0,0|0,0,1]=3 200 B6R0.4 CC\C=C\C(C)=O DY822743 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.4 NCCCC(=O)O NO14998 [1,1,0,0,0,0|0,0,2]=4 202 B6R0.4 NCCNC(=O)O DY822495 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.4 NC\C=C\C(=O)O DY552195 [1,1,0,0,0,0|0,0,0]=2 204 B6R0.4 O=C(O)CCCBr NO14053 [1,1,0,0,0,0|0,0,2]=4 205 B6R0.4 OB(O)\C=C\CCl DY704971 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.9 COC(C=O)OC DY822359 [1,1,0,0,0,0|1,0,1]=4 207 B6R0.7 CC(=O)C(C)(C)Cl DY741007 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.7 CC(C)(Br)C(=O)O NO21332 [1,1,0,0,0,0|0,0,1]=3 209 B6R0.7 CC(C)(C)C(=O)O NO11866 [1,1,0,0,0,0|0,0,1]=3 210 B6R0.7 CC(C)(C)C(=O)[O-] DY504753 [1,1,0,0,0,0|0,0,2]=4 211 B6R0.7 CC(C)(N)C(=O)O NO15358 [1,1,0,0,0,0|0,0,1]=3 212 B6R0.7 CC(C)(N)C(N)=O DY609020 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.7 [2H]C(C)(N)C(=O)O DY454695 [1,1,0,0,0,0|1,0,1]=4 214 B8R0.2 COC(=O)C(C)C(=O)O DY547743 [0,1,0,0,0,1|2,0,0]=4 215 B8R0.2 COC(C)C(Br)C(=O)O DY797457 [0,1,0,0,0,1|1,0,1]=4 216 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O DY740365 [0,1,0,0,0,1|1,0,1]=4 217 B8R0.19 CCC(=O)CC(=O)OC NO18389 [0,1,0,0,0,1|1,0,1]=4 218 B8R0.19 COC(=O)OC(=O)OC DY528549 [0,1,0,0,0,1|2,0,0]=4 219 B8R0.23 CC(C)C(C)CC(=O)O DY112320 [0,1,0,0,0,1|0,0,2]=4 220 B8R0.23 CC(CC(=O)O)C(=O)O DY556815 [0,1,0,0,0,1|1,0,1]=4 221 B8R0.3 CCOC(=O)C(=O)CC NO13439 [0,2,0,0,0,0|1,0,1]=4 222 B8R0.8 CCCC[C@H](C)C(=O)O DY585471 [0,2,0,0,0,0|0,0,2]=4 223 B8R0.12 C=CCC(C)(C)C(=O)O DY20650 [0,2,0,0,0,0|0,0,2]=4 224 B8R0.15 CCC[C@H](CN)C(=O)O DY701509 [0,2,0,0,0,0|0,0,2]=4 225 B8R0.20 CCN(CC)C(=O)CO DY552687 [0,2,0,0,0,0|1,0,1]=4 226 B8R0.20 CN[C@@H](CO)C(=O)OC DY435501 [0,2,0,0,0,0|1,0,1]=4 227 B8R0.36 CCC(C)(CC)C(=O)O DY105694 [0,2,0,0,0,0|0,0,2]=4 228 B8R0.37 C=C(Cl)C(C)(C)C(=O)O DY560853 [0,2,0,0,0,0|0,0,2]=4 229 B8R0.37 CC(=O)[C@](C)(O)C(=O)O DY624991 [0,2,0,0,0,0|0,0,1]=3 230 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O DY515811 [0,2,0,0,0,0|0,0,2]=4 231 B8R0.27 CC(C(=O)O)C(C)(C)C DY585455 [0,2,0,0,0,0|0,0,2]=4 232 B8R0.27 C[C@H](C(=O)O)C(C)(C)C DY585444 [0,2,0,0,0,0|0,0,2]=4 233 B8R0.18 CC(C)[C@H](CN)C(=O)O DY539799 [0,2,0,0,0,0|0,0,2]=4 234 B6R1.2 NC1=CC=NO1 DY459948 [1,0,0,1,0,0|2,0,0]=4 235 B6R1.2 O=C1N=CCO1 DY565077 [1,0,0,1,0,0|1,0,0]=3 236 B6R1.5 C=C1CC(=O)O1 DY732691 [1,0,0,1,0,0|0,0,2]=4 237 B6R1.11 O=C(O)C1CC1 NO13839 [1,0,0,1,0,0|0,0,2]=4 238 B8R1.1 CCC1COC(=O)N1 DY607707 [0,0,0,1,0,1|0,0,2]=4 239 B8R1.4 CC1=CC(=O)NN=C1 NO10446 [0,0,0,1,0,1|2,0,0]=4 240 B8R1.4 CC1=CC(O)=NC=C1 NO23034 [0,0,0,1,0,1|1,0,1]=4 241 B8R1.4 CC1=CN=CC(O)=C1 NO14332 [0,0,0,1,0,1|2,0,0]=4 242 B8R1.4 CC1=CN=CC(O)=N1 NO21596 [0,0,0,1,0,1|2,0,0]=4 243 B8R1.4 CC1=NC(O)=NC=C1 NO21586 [0,0,0,1,0,1|1,0,1]=4 244 B8R1.4 CN1CCOC(=O)C1 NO17566 [0,0,0,1,0,1|1,0,1]=4 245 B8R1.18 CC1=C(C)OC(=O)O1 NO18029 [0,0,0,1,0,1|0,0,0]=2 246 B8R1.18 CC1=C(C)SC(Br)=N1 NO13229 [0,0,0,1,0,1|1,1,0]=4 247 B8R1.18 CC1=C(C)SC(N)=N1 NO21234 [0,0,0,1,0,1|1,1,0]=4 248 B8R1.18 CC1=CC(=O)OC1O NO22773 [0,0,0,1,0,1|1,0,1]=4 249 B8R1.18 CC1=NC(C)=C(C)O1 DY773169 [0,0,0,1,0,1|1,0,0]=3 250 B8R1.18 C[C@H]1NC(=O)OC1=O NO17248 [0,0,0,1,0,1|1,0,1]=4 251 B8R1.34 O=C(O)C=C1CCC1 DY544251 [0,0,0,1,0,1|0,0,1]=3 252 B8R1.34 O=C(O)CC1CCC1 NO11177 [0,0,0,1,0,1|0,0,2]=4 253 B8R1.34 O=C(O)CC1CCN1 DY584158 [0,0,0,1,0,1|1,0,1]=4 254 B8R1.34 O=C(O)CN1CCC1 DY719380 [0,0,0,1,0,1|1,0,1]=4 255 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O DY586259 [0,0,0,1,0,1|0,0,2]=4 256 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O DY586268 [0,0,0,1,0,1|0,0,2]=4 257 B8R1.67 C[C@@H]1C(C(=O)O)[C@@H]1C DY586274 [0,0,0,1,0,1|0,0,2]=4 258 B8R1.5 CC1=C(O)C=CN=C1 NO13965 [0,1,0,1,0,0|1,0,1]=4 259 B8R1.5 CC1=CC=CC=C1O NO11813 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.5 CC1=CN=CN=C1O NO10459 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.5 CC1=CNC=CC1=O DY502725 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.5 CC1=NC=CN=C1O NO21577 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.7 O=C(O)C1=CC=CN1 NO17766 [0,1,0,1,0,0|0,0,2]=4 264 B8R1.7 O=C(O)C1=CC=CO1 NO16202 [0,1,0,1,0,0|0,0,2]=4 265 B8R1.7 O=C(O)C1=CC=NO1 NO15566 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.7 O=C(O)C1=CN=CS1 NO15551 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.7 O=C(O)C1=CNC=C1 NO16294 [0,1,0,1,0,0|0,0,2]=4 268 B8R1.7 O=C(O)C1=CNC=N1 NO19657 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.7 O=C(O)C1=CNN=C1 NO19027 [0,1,0,1,0,0|1,0,1]=4 270 B8R1.7 O=C(O)C1=CNN=N1 NO20475 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.7 O=C(O)C1=COC=C1 NO14540 [0,1,0,1,0,0|0,0,2]=4 272 B8R1.7 O=C(O)C1=CSC=C1 NO22727 [0,1,0,1,0,0|0,0,2]=4 273 B8R1.7 O=C(O)C1=CSC=N1 NO10126 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.7 O=C(O)C1=CSN=C1 NO22713 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.7 O=C(O)C1=NC=CN1 NO19852 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.7 O=C(O)C1=NC=CS1 DY425486 [0,1,0,1,0,0|1,0,1]=4 277 B8R1.7 O=C(O)C1=NCCC1 DY584439 [0,1,0,1,0,0|0,0,1]=3 278 B8R1.7 O=C(O)C1=NN=CC1 DY585442 [0,1,0,1,0,0|1,0,1]=4 279 B8R1.7 O=C(O)C1=NNC=C1 NO18779 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.7 O=C(O)C1=NOC=C1 NO18235 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.7 O=C(O)C1=NON=C1 NO20479 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.7 O=C(O)C1=NSC=C1 DY113170 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.7 O=C(O)C1C=CCN1 DY436935 [0,1,0,1,0,0|0,0,2]=4 284 B8R1.7 O=C(O)C1C=CCO1 DY788385 [0,1,0,1,0,0|0,0,2]=4 285 B8R1.7 O=C(O)C1CCCN1 NO18287 [0,1,0,1,0,0|0,0,2]=4 286 B8R1.7 O=C(O)C1CCCO1 DY20393 [0,1,0,1,0,0|0,0,2]=4 287 B8R1.7 O=C(O)C1CCNC1 NO18444 [0,1,0,1,0,0|0,0,2]=4 288 B8R1.7 O=C(O)C1CCNC1 NO19637 [0,1,0,1,0,0|0,0,2]=4 289 B8R1.7 O=C(O)C1CCOC1 DY444586 [0,1,0,1,0,0|0,0,2]=4 290 B8R1.7 O=C(O)C1CCSS1 DY566085 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.7 O=C(O)C1NCCS1 NO16514 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [0,1,0,1,0,0|0,0,2]=4 293 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [0,1,0,1,0,0|0,0,2]=4 294 B8R1.7 O=C(O)[C@@H]1CSCN1 DY20446 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.7 O=C(O)[C@H]1CCCN1 NO22249 [0,1,0,1,0,0|0,0,2]=4 296 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [0,1,0,1,0,0|0,0,2]=4 297 B8R1.7 O=C(O)[C@H]1CCNC1 DY569091 [0,1,0,1,0,0|0,0,2]=4 298 B8R1.7 O=C(O)[C@H]1CSCN1 NO15627 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.7 OB(O)C1=CCCC1 NO11186 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.23 CC1CC(C(=O)O)C1 NO15188 [0,1,0,1,0,0|0,0,2]=4 301 B8R1.23 CN1CC(C(=O)O)C1 DY444119 [0,1,0,1,0,0|0,0,2]=4 302 B8R1.23 NC1CC(C(=O)O)C1 DY10550 [0,1,0,1,0,0|0,0,2]=4 303 B8R1.23 NC1CC(C(=O)O)C1 DY756217 [0,1,0,1,0,0|0,0,2]=4 304 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO15871 [0,1,0,1,0,0|0,0,2]=4 305 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO18457 [0,1,0,1,0,0|0,0,2]=4 306 B8R1.23 O=C(O)C1CC(O)C1 NO13147 [0,1,0,1,0,0|0,0,2]=4 307 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 DY104924 [0,1,0,1,0,0|0,0,2]=4 308 B8R1.23 O=C1CC(C(=O)O)C1 NO18894 [0,1,0,1,0,0|1,0,1]=4 309 B8R1.30 C=C1CC1(N)C(=O)O DY533541 [0,1,0,1,0,0|0,0,2]=4 310 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1F DY102836 [0,1,0,1,0,0|0,0,2]=4 311 B8R1.54 O=C(O)C(=O)C1CC1 NO15905 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.78 CC1(C(=O)O)CCC1 DY21173 [0,1,0,1,0,0|0,0,2]=4 313 B8R1.78 NC1(C(=O)O)CCC1 NO20591 [0,1,0,1,0,0|0,0,2]=4 314 B8R1.11 CC1=CSC=C1C=O DY570849 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.11 O=C1OCC=C1CO DY759542 [0,1,0,1,0,0|0,0,0]=2 316 B8R1.25 O=C1C(=O)C(O)=C1O DY10192 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.38 COC(=O)[C@@H]1CCN1 DY625939 [0,1,0,1,0,0|1,0,1]=4 318 B8R1.38 COC(=O)[C@H]1CCN1 DY565389 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.38 COC(=O)[C@H]1CCN1 DY627322 [0,1,0,1,0,0|1,0,1]=4 320 B8R1.50 CC1=C(C)C(=O)N=N1 DY566079 [0,1,0,1,0,0|1,0,0]=3 321 B8R1.50 CC1=C(C)C(N)=NN1 NO22497 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.50 CC1=C(C)C(N)=NO1 NO13675 [0,1,0,1,0,0|1,0,0]=3 323 B8R1.50 CC1=C(O)C(=O)CC1 NO16508 [0,1,0,1,0,0|0,0,1]=3 324 B8R1.50 CC1=CNC(=O)C1C DY799551 [0,1,0,1,0,0|1,0,1]=4 325 B8R1.50 CC1=CNC(C)=C1C NO16478 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.50 CC1=NOC(C)=C1I NO17867 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.50 CC1C(=O)CCC1=O NO21655 [0,1,0,1,0,0|1,0,1]=4 328 B8R1.50 CN1CC[C@@H](O)C1=O DY563481 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.50 O=C1OCC(Br)=C1Br DY525615 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.63 O=C(O)C1(CO)CC1 DY556719 [0,1,0,1,0,0|0,0,2]=4 331 B8R1.77 CC1(C)C[C@@H]1C(=O)O NO19841 [0,1,0,1,0,0|0,0,2]=4 332 B8R0.9 COC(=O)CCC(=O)O NO11694 [0,0,0,0,0,2|2,0,0]=4