0 B7R0.6 C=C(C)CCC(=O)O NO16527 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 CC(=O)CCC(=O)O NO18688 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.6 CC(=O)NCC(=O)O NO19131 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 CC(=O)SCC(=O)O DY447723 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 N=C(N)NCC(=O)O DY550479 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 O=C(O)C#CC(=O)O DY20681 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.6 O=C([O-])C#CC(=O)O DY822305 [0,0,0,0,0,0|0,0,3]=3 7 B6R0.4 C=CCCC(=O)O NO15216 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.4 C=C\C=C\C(=O)O NO12033 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.4 CC\C=C\C(C)=O DY822743 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 NC\C=C\C(=O)O DY552195 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.9 COC(=O)CCC(=O)O NO11694 [0,1,0,0,0,0|0,0,2]=3 12 B8R0.9 NCC(=O)CCC(=O)O DY34214 [0,1,0,0,0,0|1,0,2]=4 13 B8R0.9 NCC(=O)CCC(=O)O NO10222 [0,1,0,0,0,0|1,0,2]=4 14 B8R0.23 CC(=O)N[C@@H](C)C(=O)O DY436012 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.23 CC(CC(=O)O)C(=O)O DY556815 [0,1,0,0,0,0|0,0,2]=3 16 B8R0.23 NC(=O)C[C@@H](N)C(=O)O NO19152 [0,1,0,0,0,0|1,0,2]=4 17 B8R0.23 NC(CC(=O)O)C(=O)O DY793569 [0,1,0,0,0,0|0,0,2]=3 18 B8R0.23 N[C@H](CC(=O)O)C(=O)O DY563601 [0,1,0,0,0,0|0,0,2]=3 19 B8R0.23 N[C@H](CC(=O)O)C(=O)O NO18065 [0,1,0,0,0,0|0,0,2]=3 20 B8R0.23 O=C(O)CC(O)C(=O)O NO11286 [0,1,0,0,0,0|0,0,2]=3 21 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O DY622059 [0,1,0,0,0,0|0,0,2]=3 22 B8R0.23 O=C(O)C[C@@H](O)C(=O)O DY20429 [0,1,0,0,0,0|0,0,2]=3 23 B8R0.23 O=C(O)C[C@H](S)C(=O)O DY625003 [0,1,0,0,0,0|0,0,2]=3 24 B8R1.3 CC1=CN=C(O)C=C1 NO16275 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.3 CC1=CNC(=O)C=C1 NO21591 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.3 CC1=NNC(=O)C=C1 DY736970 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.3 CC1=NNC(=O)C=C1 NO19836 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.3 NC1=CC=C(O)C=N1 NO13087 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.3 NC1=CC=C(O)C=N1 NO18367 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.3 NC1=CN=C(O)C=C1 NO10211 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.3 NC1=CN=C(O)C=C1 NO18129 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.3 NC1=CNC(=O)C=C1 NO15177 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.3 O=C1C=CC(Br)=NN1 NO18174 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.3 O=C1C=CC(Cl)=NN1 NO19694 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.3 O=C1C=CC(O)=CN1 NO15928 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.3 O=C1COC(=O)CN1 DY549675 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.3 O=C1COC(=O)CO1 DY758720 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.3 OC1=CC=C(Br)N=C1 NO14988 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.3 OC1=CC=C(Cl)C=C1 NO22792 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.3 OC1=CC=C(Cl)N=C1 NO21853 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.3 OC1=CC=C(F)N=C1 NO14991 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.3 OC1=CC=C(I)C=C1 DY20152 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.3 OC1=CC=C(O)N=N1 NO13566 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.3 OC1=CN=C(O)C=C1 NO21147 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.3 OC1=NC=C(Br)C=C1 NO22706 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.3 OC1=NC=C(I)C=C1 NO13623 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.23 O=C1CC(C(=O)O)C1 NO18894 [0,0,0,1,0,0|1,0,2]=4 48 B6R0.2 CC(C)=CC(=O)O NO14947 [0,0,0,0,1,0|2,0,0]=3 49 B6R0.2 CC(C)=CC(N)=O DY795567 [0,0,0,0,1,0|3,0,0]=4 50 B6R0.2 C[C@H](O)CC(=O)O DY426021 [0,0,0,0,1,0|1,0,2]=4 51 B6R0.2 NC(=O)NC(N)=O NO11485 [0,0,0,0,1,0|3,0,0]=4 52 B8R0.28 CC(=O)CCCC(=O)O DY547923 [0,0,0,0,0,1|1,0,2]=4 53 B8R0.28 CC(=O)NCCC(=O)O DY584556 [0,0,0,0,0,1|1,0,2]=4 54 B8R0.28 CN(C)C\C=C\C(=O)O NO15971 [0,0,0,0,0,1|3,0,0]=4 55 B8R0.28 CN(C)C\C=C\C(=O)O NO16134 [0,0,0,0,0,1|3,0,0]=4 56 B8R0.28 NC(=O)CCCC(=O)O DY604617 [0,0,0,0,0,1|1,0,2]=4 57 B8R0.28 NC(=O)COCC(=O)O DY604478 [0,0,0,0,0,1|1,0,2]=4 58 B5R0.1 CC(=O)\C=N\O NO11520 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 CC(=O)\C=N\O NO18968 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 C\C=C\C(=O)O DY41882 [2,0,0,0,0,0|0,0,1]=3 61 B5R0.1 N\C=C\C(N)=O DY741355 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.2 O=CNNC=O NO20491 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.3 CC\C=C\C(=O)OC DY741019 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.3 COC(=O)CCC=O DY21172 [1,1,0,0,0,0|0,0,2]=4 65 B7R0.3 COC(=O)\C=C\CBr NO13509 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.3 COC(=O)\C=C\CN DY583653 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.3 CO\C=C\C(=O)OC NO11630 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.4 CCO\C=C\C(=O)O NO22271 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.4 C\C=C\C=C\C(=O)[O-] NO11961 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.16 CC(=O)C(N)C(=O)O DY700663 [0,1,0,0,1,0|1,0,1]=4 71 B9R0.7 NC(CCC(=O)O)C(=O)O NO15295 [0,1,0,0,0,1|0,0,2]=4 72 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DY437662 [0,1,0,0,0,1|0,0,2]=4 73 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DY822470 [0,1,0,0,0,1|0,0,2]=4 74 B9R0.7 O=C(O)CCC(=O)C(=O)O DY822245 [0,1,0,0,0,1|0,0,1]=3 75 B9R0.7 O=C(O)CCC(=O)C(=O)O NO14149 [0,1,0,0,0,1|0,0,1]=3 76 B9R0.53 CN(CC(=O)O)CC(=O)O DY554895 [0,1,0,0,0,1|0,0,2]=4 77 B9R0.53 NC(CC(=O)O)CC(=O)O DY439301 [0,1,0,0,0,1|0,0,2]=4 78 B9R0.23 COC(=O)[C@H](N)CC(=O)O DY436254 [0,2,0,0,0,0|0,0,2]=4 79 B9R0.23 COC(=O)[C@H](O)CC(=O)O DY622299 [0,2,0,0,0,0|0,0,2]=4 80 B9R0.24 COC(=O)C#CC(=O)OC NO11256 [0,2,0,0,0,0|0,0,2]=4 81 B9R0.42 COC(=O)C[C@@H](N)C(=O)O NO22944 [0,2,0,0,0,0|0,0,2]=4 82 B9R0.42 COC(=O)C[C@H](N)C(=O)O NO13817 [0,2,0,0,0,0|0,0,2]=4 83 B9R0.48 CCOC(=O)CCC(=O)O NO11693 [0,2,0,0,0,0|0,0,2]=4 84 B9R0.11 CC(C)(CC(=O)O)C(=O)O NO19959 [0,2,0,0,0,0|0,0,2]=4 85 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O DY437899 [0,2,0,0,0,0|0,0,2]=4 86 B9R0.57 C=C(OP(=O)(O)O)C(=O)O DY550713 [0,2,0,0,0,0|2,0,0]=4 87 B9R0.79 CC(C(=O)O)C(N)C(=O)O DY20536 [0,2,0,0,0,0|0,0,2]=4 88 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O NO11193 [0,2,0,0,0,0|0,0,2]=4 89 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O DY563025 [0,2,0,0,0,0|0,0,2]=4 90 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O NO19386 [0,2,0,0,0,0|0,0,2]=4 91 B7R1.2 CC1=CC=C(Br)O1 DY513585 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.2 CC1=CCC(=O)O1 DY562161 [1,0,0,1,0,0|1,0,1]=4 93 B7R1.2 O=C1C=CC(=O)O1 DY743137 [1,0,0,1,0,0|0,0,0]=2 94 B7R1.2 O=C1C=C[C@H](O)C1 DY562569 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.3 O=C1C=CC=CN1 NO18724 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.3 O=C1C=CC=NN1 NO19793 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.3 O=C1C=CCOC1 NO17023 [1,0,0,1,0,0|1,0,1]=4 98 B7R1.3 OC1=CC=CN=C1 NO17813 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.3 OC1=NC=CC=C1 NO21602 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.35 CC(=O)C1=CC=C(Br)O1 NO20429 [0,0,0,1,0,1|2,0,0]=4 101 B9R1.35 CC1=CC(C(=O)O)=CN1 NO15830 [0,0,0,1,0,1|2,0,0]=4 102 B9R1.35 CC1=CC=C(C(=O)O)O1 NO19440 [0,0,0,1,0,1|1,0,0]=3 103 B9R1.35 CC1=CC=C(C(=O)O)S1 NO23027 [0,0,0,1,0,1|1,1,0]=4 104 B9R1.35 CC1=COC(C(=O)O)=C1 DY104342 [0,0,0,1,0,1|2,0,0]=4 105 B9R1.35 CC1=NC=C(C(=O)O)S1 NO21657 [0,0,0,1,0,1|1,1,0]=4 106 B9R1.35 NC1=NC(C(=O)O)=CN1 NO12779 [0,0,0,1,0,1|2,0,0]=4 107 B9R1.35 NC1=NC=C(C(=O)O)S1 NO18292 [0,0,0,1,0,1|1,1,0]=4 108 B9R1.35 O=C(O)C1=CC(Br)=CN1 NO22700 [0,0,0,1,0,1|2,0,0]=4 109 B9R1.35 O=C(O)C1=CC(Br)=CO1 NO10558 [0,0,0,1,0,1|2,0,0]=4 110 B9R1.35 O=C(O)C1=CC(Br)=CS1 NO22681 [0,0,0,1,0,1|2,0,0]=4 111 B9R1.35 O=C(O)C1=CC=C(Br)N1 NO16375 [0,0,0,1,0,1|2,0,0]=4 112 B9R1.35 O=C(O)C1=CC=C(Br)O1 NO22685 [0,0,0,1,0,1|1,0,0]=3 113 B9R1.35 O=C(O)C1=CC=C(Br)S1 NO17287 [0,0,0,1,0,1|1,1,0]=4 114 B9R1.35 O=C(O)C1=CC=C(Cl)O1 NO10327 [0,0,0,1,0,1|1,0,0]=3 115 B9R1.35 O=C(O)C1=CC=C(Cl)S1 NO17350 [0,0,0,1,0,1|1,1,0]=4 116 B9R1.35 O=C(O)C1=CC=C(F)S1 DY456724 [0,0,0,1,0,1|1,1,0]=4 117 B9R1.35 O=C(O)C1=CN=C(Br)O1 NO17421 [0,0,0,1,0,1|1,0,0]=3 118 B9R1.35 O=C(O)C1=COC(Br)=N1 NO15537 [0,0,0,1,0,1|2,0,0]=4 119 B9R1.35 O=C(O)C1=CSC(Br)=C1 DY441053 [0,0,0,1,0,1|2,0,0]=4 120 B9R1.35 O=C(O)C1=CSC(Br)=N1 NO15291 [0,0,0,1,0,1|2,0,0]=4 121 B9R1.35 O=C(O)C1=CSC(Cl)=C1 NO10357 [0,0,0,1,0,1|2,0,0]=4 122 B9R1.35 O=C(O)C1=CSC(Cl)=N1 NO21424 [0,0,0,1,0,1|2,0,0]=4 123 B9R1.35 O=C(O)C1=NC=C(Br)S1 DY428239 [0,0,0,1,0,1|1,1,0]=4 124 B9R1.35 O=C(O)c1cc(F)cs1 DY430853 [0,0,0,1,0,1|2,0,0]=4 125 B9R1.35 O=C1C=C(C(=O)O)CO1 DY531771 [0,0,0,1,0,1|1,0,1]=4 126 B9R1.35 O=C1CCC(C(=O)O)O1 DY759482 [0,0,0,1,0,1|0,0,2]=4 127 B9R1.1 COC1=CC=C(O)C=C1 NO22939 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.1 COC1=CNC(=O)C=C1 DY563727 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.1 O=C1C=CC(CO)=CN1 NO19816 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.1 O=CC1=CC=C(O)C=C1 NO18686 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.1 O=CC1=CN=C(O)C=C1 NO13494 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.1 O=CC1=NC=C(O)C=C1 NO12167 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.1 OCC1=CC=C(O)C=C1 NO19212 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.69 CC1=C(O)C=C(O)C=C1 NO20391 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.69 NC1=C(O)C=C(O)C=C1 NO22592 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.69 NC1=CC(O)=CN=C1O DY656872 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.69 O=C1C=C(Cl)C(=O)NN1 NO22009 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.69 OC1=CC(F)=C(O)C=C1 DY20784 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.69 OC1=CC(O)=C(Br)C=C1 NO22703 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.69 OC1=CC(O)=C(F)C=C1 NO22989 [0,1,0,1,0,0|2,0,0]=4 141 B5R0.5 C=C(C)C(=O)O DY740707 [0,0,0,0,2,0|2,0,0]=4 142 B5R0.5 NC(=O)C(N)=O DY20822 [0,0,0,0,2,0|2,0,0]=4 143 B5R0.5 O=C(O)C(=O)O DY563517 [0,0,0,0,2,0|0,0,0]=2 144 B5R0.5 O=C(O)C(=O)O DY822364 [0,0,0,0,2,0|0,0,0]=2 145 B5R0.5 O=C(O)C(=O)O NO11387 [0,0,0,0,2,0|0,0,0]=2 146 B5R0.5 O=C([O-])C(=O)O DY822607 [0,0,0,0,2,0|0,0,1]=3 147 B5R0.5 O=C([O-])C(=O)[O-] DY114602 [0,0,0,0,2,0|0,0,2]=4 148 B5R0.5 O=C([O-])C(=O)[O-] DY506772 [0,0,0,0,2,0|0,0,2]=4 149 B5R0.5 O=C([O-])C(=O)[O-] DY822276 [0,0,0,0,2,0|0,0,2]=4 150 B5R0.5 O=C([O-])C(=O)[O-] DY822362 [0,0,0,0,2,0|0,0,2]=4 151 B5R0.5 O=C([O-])C(=O)[O-] DY822363 [0,0,0,0,2,0|0,0,2]=4 152 B5R0.5 O=C([O-])C(=O)[O-] DY822365 [0,0,0,0,2,0|0,0,2]=4 153 B5R0.5 O=C([O-])C(=O)[O-] DY822603 [0,0,0,0,2,0|0,0,2]=4 154 B5R0.5 O=C([O-])C(=O)[O-] DY822604 [0,0,0,0,2,0|0,0,2]=4 155 B5R0.5 O=C([O-])C(=O)[O-] DY822608 [0,0,0,0,2,0|0,0,2]=4 156 B5R0.5 O=C([O-])C(=O)[O-] DY822919 [0,0,0,0,2,0|0,0,2]=4 157 B9R0.55 O=C(O)CCCCC(=O)O DY522735 [0,0,0,0,0,2|0,0,2]=4