0 B7R0.4 C#CCCCC(=O)O NO14686 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.4 CC(=O)CCCCBr NO10627 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 CCCCCB(O)O NO22305 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.4 CCCCCC(=O)Cl DY822275 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 CCCCCC(C)O NO21570 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.4 CCCOCC(=O)O DY425744 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.4 CCCSCC(N)=O DY742801 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.4 CCC\C=C\B(O)O DY707071 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.4 CCO\C=C\C(=O)O NO22271 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.4 CNCCCC(=O)O DY702793 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.4 COC\C=C\B(O)O DY705295 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.4 C\C=C\C=C\C(=O)[O-] NO11961 [0,0,0,0,0,0|0,0,3]=3 12 B7R0.4 N#CCSCC(=O)O DY796389 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.4 O=C(Cl)CCCCCl DY460464 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.4 C#CCCC(=O)O DY428029 [1,0,0,0,0,0|0,0,3]=4 15 B6R0.4 C=CCCC(=O)O NO15216 [1,0,0,0,0,0|0,0,3]=4 16 B6R0.4 C=C\C=C\C(=O)O NO12033 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.4 CC(=O)CCCBr NO10305 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CC(=O)CCCCl NO10334 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 CC(=O)NCCCl DY33011 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.4 CCCCC(C)O DY740779 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.4 CC\C=C\C(C)=O DY822743 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 CSCCC(C)=O DY740809 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 N#CCCC(=O)O NO22262 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.4 NCCCC(=O)O NO14998 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.4 NCCNC(=O)O DY822495 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.4 NC\C=C\C(=O)O DY552195 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.4 O=C(O)CCCBr NO14053 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.4 OB(O)\C=C\CCl DY704971 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 CCCCON=O DY461106 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.6 CCCOCCO DY740785 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.6 O=CCCCCBr DY510224 [1,0,0,0,0,0|1,0,2]=4 32 B8R0.5 CCOC(=O)C=C(C)C NO11345 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.5 CCOC(=O)CC(N)=O NO18301 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.5 CCOC(=O)\C=C(/C)N NO15795 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.6 CCCCNC(=O)CCl NO11766 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.7 CCCCCCC(=O)O DY822462 [0,1,0,0,0,0|0,0,2]=3 37 B8R0.7 CCOCCOC(=O)Cl DY797049 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.7 CSCCCCC(=O)O DY112374 [0,1,0,0,0,0|0,0,2]=3 39 B8R0.7 NCCCCCC(=O)O NO13381 [0,1,0,0,0,0|0,0,2]=3 40 B8R0.7 NCCOCCC(=O)O DY739157 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.7 O=C(O)CCCCCBr NO18405 [0,1,0,0,0,0|0,0,2]=3 42 B8R0.8 CCCC[C@H](C)C(=O)O DY585471 [0,1,0,0,0,0|0,0,2]=3 43 B8R0.8 CSCCC(=O)C(=O)[O-] DY558027 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.8 CSCCC(N)C(=O)O DY500936 [0,1,0,0,0,0|1,0,2]=4 45 B8R0.8 CSCC[C@H](N)C(=O)O NO18644 [0,1,0,0,0,0|1,0,2]=4 46 B8R0.8 NCCC[C@@H](N)C(=O)O DY550209 [0,1,0,0,0,0|1,0,2]=4 47 B8R0.8 NCCC[C@H](N)C(=O)O NO22279 [0,1,0,0,0,0|1,0,2]=4 48 B8R0.28 CC(=O)CCCC(=O)O DY547923 [0,1,0,0,0,0|0,0,3]=4 49 B8R0.28 CC(C)CCCC(=O)O DY564243 [0,1,0,0,0,0|0,0,2]=3 50 B8R0.28 CN(C)CCCC(=O)O NO18615 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.28 CN(C)C\C=C\C(=O)O NO15971 [0,1,0,0,0,0|1,0,0]=2 52 B8R0.28 CN(C)C\C=C\C(=O)O NO16134 [0,1,0,0,0,0|1,0,0]=2 53 B8R0.28 CN(C)C\C=C\C(N)=O DY538707 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.1 CCC1COC(=O)N1 DY607707 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.1 CCN1C=CC(I)=N1 DY645182 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.1 CO[C@@H]1C=C[C@@H](O)C1 DY585333 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.1 NCC1=CC=C(Br)O1 DY432586 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.1 NCC1=CC=C(Br)O1 DY759704 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.1 NCC1CNC(=O)O1 DY529719 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.1 O=C1C=C[C@@H](CO)O1 DY20390 [0,0,0,1,0,0|1,0,0]=2 61 B8R1.1 O=C1NC[C@@H](CO)O1 DY583311 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.1 OCC1=CC=C(Br)O1 NO15423 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.4 CC1=NC=CC(=O)N1 NO22425 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.4 CC1=NC=CC(O)=C1 NO22867 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.4 CC1=NC=CC(O)=N1 NO15583 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.4 CC1CCNC(=O)N1 DY694421 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.6 CCCC1CC(=O)C1 DY561087 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.7 CC(=O)C1CCCC1 DY445790 [0,0,0,1,0,0|1,0,2]=4 69 B8R1.7 CC(=O)C1CCCC1 NO20673 [0,0,0,1,0,0|1,0,2]=4 70 B8R1.7 CC(=O)C1CCCO1 DY586599 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.7 CC(=O)[C@H]1CCCN1 DY586041 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.7 CC(=O)[C@H]1CCCO1 DY586598 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.7 NC(=O)C1CCCC1 DY794313 [0,0,0,1,0,0|1,0,2]=4 74 B8R1.7 NC(=O)N1CCCC1 DY717045 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.7 NC(=O)[C@@H]1CCCN1 NO22629 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.7 NC(=O)[C@H]1CCCN1 DY438122 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.7 O=C(O)C1=CC=CN1 NO17766 [0,0,0,1,0,0|1,0,2]=4 78 B8R1.7 O=C(O)C1=CC=CO1 NO16202 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.7 O=C(O)C1=CC=NO1 NO15566 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.7 O=C(O)C1=CN=CS1 NO15551 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.7 O=C(O)C1=CNC=C1 NO16294 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.7 O=C(O)C1=CNC=N1 NO19657 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.7 O=C(O)C1=CNN=C1 NO19027 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.7 O=C(O)C1=CNN=N1 NO20475 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.7 O=C(O)C1=COC=C1 NO14540 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.7 O=C(O)C1=CSC=C1 NO22727 [0,0,0,1,0,0|1,0,2]=4 87 B8R1.7 O=C(O)C1=CSC=N1 NO10126 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.7 O=C(O)C1=CSN=C1 NO22713 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.7 O=C(O)C1=NCCC1 DY584439 [0,0,0,1,0,0|1,0,0]=2 90 B8R1.7 O=C(O)C1=NN=CC1 DY585442 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.7 O=C(O)C1=NNC=C1 NO18779 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.7 O=C(O)C1=NOC=C1 NO18235 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.7 O=C(O)C1=NON=C1 NO20479 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.7 O=C(O)C1=NSC=C1 DY113170 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.7 O=C(O)C1C=CCN1 DY436935 [0,0,0,1,0,0|1,0,2]=4 96 B8R1.7 O=C(O)C1C=CCO1 DY788385 [0,0,0,1,0,0|1,0,2]=4 97 B8R1.7 O=C(O)C1CCCN1 NO18287 [0,0,0,1,0,0|1,0,1]=3 98 B8R1.7 O=C(O)C1CCCO1 DY20393 [0,0,0,1,0,0|1,0,1]=3 99 B8R1.7 O=C(O)C1CCNC1 NO18444 [0,0,0,1,0,0|1,0,2]=4 100 B8R1.7 O=C(O)C1CCNC1 NO19637 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.7 O=C(O)C1CCOC1 DY444586 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.7 O=C(O)C1CCSS1 DY566085 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.7 O=C(O)C1NCCS1 NO16514 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [0,0,0,1,0,0|1,0,1]=3 105 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.7 O=C(O)[C@@H]1CSCN1 DY20446 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.7 O=C(O)[C@H]1CCCN1 NO22249 [0,0,0,1,0,0|1,0,1]=3 108 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [0,0,0,1,0,0|1,0,1]=3 109 B8R1.7 O=C(O)[C@H]1CCNC1 DY569091 [0,0,0,1,0,0|1,0,2]=4 110 B8R1.7 O=C(O)[C@H]1CSCN1 NO15627 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.7 OB(O)C1=CCCC1 NO11186 [0,0,0,1,0,0|1,0,1]=3 112 B8R1.22 C=C1OCCCCO1 DY567825 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.22 O=C1CCCCCC1 DY461238 [0,0,0,1,0,0|1,0,2]=4 114 B8R1.22 O=C1OCCCCO1 DY770703 [0,0,0,1,0,0|1,0,1]=3 115 B8R1.34 O=C(O)C=C1CCC1 DY544251 [0,0,0,1,0,0|0,0,0]=1 116 B8R1.34 O=C(O)CC1CCC1 NO11177 [0,0,0,1,0,0|0,0,2]=3 117 B8R1.34 O=C(O)CC1CCN1 DY584158 [0,0,0,1,0,0|1,0,2]=4 118 B8R1.34 O=C(O)CN1CCC1 DY719380 [0,0,0,1,0,0|1,0,1]=3 119 B8R1.35 O=C(O)CCC1CC1 NO19562 [0,0,0,1,0,0|0,0,2]=3 120 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O DY586259 [0,0,0,1,0,0|0,0,2]=3 121 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O DY586268 [0,0,0,1,0,0|0,0,2]=3 122 B5R0.1 CC#CC(=O)O DY20776 [2,0,0,0,0,0|0,0,2]=4 123 B5R0.1 CCCB(O)O NO14802 [2,0,0,0,0,0|1,0,1]=4 124 B5R0.1 CCCC(=O)[O-] DY822775 [2,0,0,0,0,0|0,0,1]=3 125 B5R0.1 CCCC(C)=O NO21731 [2,0,0,0,0,0|1,0,0]=3 126 B5R0.1 CCCC(C)O DY741013 [2,0,0,0,0,0|1,0,1]=4 127 B5R0.1 CCNC(C)=O DY564051 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 CNCC(=O)O NO18595 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.1 COCC(=O)O NO11579 [2,0,0,0,0,0|1,0,0]=3 130 B5R0.1 CSCC(=O)O DY543879 [2,0,0,0,0,0|1,0,0]=3 131 B5R0.1 CSCC(N)=O NO12608 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 C\C=C\C(=O)O DY41882 [2,0,0,0,0,0|0,0,0]=2 133 B5R0.1 C\C=C\[C@H](C)O DY791877 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.1 NCCC(=O)O NO13499 [2,0,0,0,0,0|1,0,0]=3 135 B5R0.1 N\C=C\C(N)=O DY741355 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 O=C(O)OCCl DY523719 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.2 C=CCCCBr DY460284 [2,0,0,0,0,0|1,0,1]=4 138 B5R0.2 CCO\C=C\Br DY456448 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.2 CC\C=C\CO DY527871 [2,0,0,0,0,0|0,0,1]=3 140 B5R0.2 C\C=C\CCO DY799773 [2,0,0,0,0,0|1,0,1]=4 141 B5R0.2 OC\C=C\CCl DY10262 [2,0,0,0,0,0|1,0,1]=4 142 B7R0.2 CCC(=O)CC(C)=O NO21124 [1,1,0,0,0,0|1,0,1]=4 143 B7R0.2 CCC(=O)OC(C)=O NO16382 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [1,1,0,0,0,0|0,0,1]=3 145 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [1,1,0,0,0,0|0,0,1]=3 146 B7R0.2 CNC(=O)CC(=O)O DY604593 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.2 CNC(C)CC(=O)O DY606375 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.2 COC(=O)CC(=O)O NO13436 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.2 NC[C@H](O)CC(=O)O NO16710 [1,1,0,0,0,0|1,0,1]=4 150 B7R0.3 CC\C=C\C(=O)OC DY741019 [1,1,0,0,0,0|0,0,0]=2 151 B7R0.3 COC(=O)\C=C\CBr NO13509 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.3 COC(=O)\C=C\CN DY583653 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.3 CO\C=C\C(=O)OC NO11630 [1,1,0,0,0,0|1,0,0]=3 154 B7R0.5 CCCC(C)C(C)=O DY740965 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [1,1,0,0,0,0|0,0,1]=3 156 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [1,1,0,0,0,0|0,0,1]=3 157 B7R0.5 COC[C@@H](N)C(=O)O NO12183 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.5 COC[C@H](N)C(=O)O NO16755 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.5 COC[C@H](N)C(=O)O NO20335 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.5 NC(CCO)C(=O)O NO13886 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.5 NCCC(N)C(=O)O DY700789 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.5 NCCC(N)C(=O)O NO15080 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.5 NCCC(O)C(=O)O NO15496 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.5 NCC[C@H](N)C(=O)O DY439091 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.5 N[C@@H](CCO)C(=O)O NO22620 [1,1,0,0,0,0|1,0,1]=4 168 B7R0.5 N[C@H](CCO)C(=O)O NO16701 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.6 C=C(C)CCC(=O)O NO16527 [1,1,0,0,0,0|0,0,2]=4 170 B7R0.6 CC(=O)CCC(=O)O NO18688 [1,1,0,0,0,0|0,0,2]=4 171 B7R0.6 CN(C)CCC(=O)O NO12169 [1,1,0,0,0,0|1,0,1]=4 172 B7R0.8 CCCOS(=O)(=O)O DY798855 [1,1,0,0,0,0|2,0,0]=4 173 B7R0.7 CCOC(=O)CC=O DY586084 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.7 CCOC(=O)\C=C\Br DY822474 [1,1,0,0,0,0|2,0,0]=4 175 B9R0.4 CSCC[C@H](N)CC(=O)O DY570603 [0,2,0,0,0,0|0,0,2]=4 176 B9R0.4 NCCCC(N)CC(=O)O DY583857 [0,2,0,0,0,0|0,0,2]=4 177 B9R0.34 COCC(=O)CC(=O)OC DY20562 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.53 CC(C)CC(N)CC(=O)O NO19014 [0,2,0,0,0,0|0,0,2]=4 179 B9R0.53 CC(C)C[C@@H](N)CC(=O)O DY701461 [0,2,0,0,0,0|0,0,2]=4 180 B9R0.53 CC(C)C[C@H](N)CC(=O)O DY439109 [0,2,0,0,0,0|0,0,2]=4 181 B9R0.58 CCCC(C)(O)CC(=O)O DY562053 [0,2,0,0,0,0|0,0,2]=4 182 B9R0.1 COC(=O)\C=C\CN(C)C DY822715 [0,2,0,0,0,0|1,0,0]=3 183 B9R0.5 CCCCCC(=O)OCC DY822461 [0,2,0,0,0,0|0,0,2]=4 184 B9R0.5 CCO\C=C\C(=O)OCC DY20656 [0,2,0,0,0,0|1,0,0]=3 185 B9R0.46 COC(=O)CCCCCBr DY523155 [0,2,0,0,0,0|0,0,2]=4 186 B9R0.46 COC(=O)CCCCCN NO11662 [0,2,0,0,0,0|0,0,2]=4 187 B9R0.47 CCCCCC(C)C(=O)O DY509948 [0,2,0,0,0,0|0,0,2]=4 188 B9R0.47 CCCCCC(N)C(=O)O DY506843 [0,2,0,0,0,0|0,0,2]=4 189 B9R0.47 CCCCOC(=O)C(C)=O DY792807 [0,2,0,0,0,0|1,0,1]=4 190 B9R0.47 CCSCC[C@@H](N)C(=O)O DY558999 [0,2,0,0,0,0|0,0,2]=4 191 B9R0.47 NCCCCC(N)C(=O)O NO18635 [0,2,0,0,0,0|0,0,2]=4 192 B9R0.47 NCCCCC(N)C(=O)O NO19277 [0,2,0,0,0,0|0,0,2]=4 193 B9R0.47 NCCCC[C@@H](N)C(=O)O DY503163 [0,2,0,0,0,0|0,0,2]=4 194 B9R0.47 NCCCC[C@@H](N)C(=O)O NO18638 [0,2,0,0,0,0|0,0,2]=4 195 B9R0.47 NCCCC[C@H](N)C(=O)O DY20432 [0,2,0,0,0,0|0,0,2]=4 196 B9R0.47 NCCCC[C@H](N)C(=O)O NO14946 [0,2,0,0,0,0|0,0,2]=4 197 B9R0.47 NCCCC[C@H](N)C(=O)O NO19147 [0,2,0,0,0,0|0,0,2]=4 198 B9R0.2 C=CCCCCCC(=O)O DY741061 [0,2,0,0,0,0|0,0,2]=4 199 B9R0.2 CCCCC\C=C\B(O)O DY707005 [0,2,0,0,0,0|1,0,1]=4 200 B9R0.2 CNCCOCCC(=O)O DY739619 [0,2,0,0,0,0|0,0,2]=4 201 B9R0.2 COCCCCCC(=O)O DY603806 [0,2,0,0,0,0|0,0,2]=4 202 B9R0.2 C\C=C\C=C\C=C\C(=O)O DY512841 [0,2,0,0,0,0|0,0,2]=4 203 B9R0.2 NCCCCCCC(=O)O NO10138 [0,2,0,0,0,0|0,0,2]=4 204 B9R0.2 O=C(O)CCCCCCO NO10820 [0,2,0,0,0,0|0,0,2]=4 205 B9R0.48 CCOC(=O)CCC(=O)O NO11693 [0,2,0,0,0,0|1,0,1]=4 206 B9R0.7 CC(C)CC[C@H](N)C(=O)O NO10576 [0,2,0,0,0,0|0,0,2]=4 207 B9R0.7 CC(C)COC(C)C(=O)O DY585447 [0,2,0,0,0,0|1,0,1]=4 208 B9R0.13 CCCC[C@@H](CO)C(=O)O DY797973 [0,2,0,0,0,0|0,0,2]=4 209 B9R0.42 CCC(C)NC(=O)C(=O)O DY604587 [0,2,0,0,0,0|1,0,0]=3 210 B9R0.56 CC(C)(N)COCC(=O)O DY628593 [0,2,0,0,0,0|1,0,1]=4 211 B7R1.2 CC1=CC=C(Br)O1 DY513585 [1,0,0,1,0,0|1,0,1]=4 212 B7R1.2 CC1=CCC(=O)O1 DY562161 [1,0,0,1,0,0|0,0,2]=4 213 B7R1.2 CC1CCC(=O)N1 DY505299 [1,0,0,1,0,0|1,0,1]=4 214 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.2 O=C1C=CC(=O)O1 DY743137 [1,0,0,1,0,0|1,0,1]=4 217 B7R1.2 O=C1C=C[C@H](O)C1 DY562569 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.3 CC1C=CCCO1 DY560079 [1,0,0,1,0,0|1,0,1]=4 219 B7R1.3 O=C1C=CCCN1 NO15771 [1,0,0,1,0,0|1,0,0]=3 220 B7R1.3 O=C1C=CCOC1 NO17023 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.3 O=C1CCCCO1 NO11208 [1,0,0,1,0,0|0,0,1]=3 222 B7R1.3 O=C1COCCO1 DY20725 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.12 O=C(O)[C@@H]1C[C@@H]1O DY758659 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.12 O=C(O)[C@@H]1C[C@H]1O DY758671 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.12 O=C(O)[C@H]1C[C@H]1F DY21162 [1,0,0,1,0,0|1,0,1]=4 226 B7R1.18 O=C(O)C1CCC1 NO22786 [1,0,0,1,0,0|0,0,1]=3 227 B7R1.18 O=C(O)C1CCN1 NO18844 [1,0,0,1,0,0|1,0,1]=4 228 B7R1.18 O=C(O)C1CNC1 NO16485 [1,0,0,1,0,0|1,0,1]=4 229 B7R1.18 O=C(O)C1COC1 NO22389 [1,0,0,1,0,0|1,0,1]=4 230 B7R1.18 O=C(O)[C@@H]1CCN1 DY718876 [1,0,0,1,0,0|1,0,1]=4 231 B7R1.18 O=C(O)[C@H]1CCN1 NO16493 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.18 O=C(O)[C@H]1CCN1 NO16972 [1,0,0,1,0,0|1,0,1]=4 233 B7R1.20 O=C(O)C[C@H]1CO1 DY506016 [1,0,0,1,0,0|1,0,1]=4 234 B7R1.1 CCN1C=CC=N1 NO20681 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.1 COC1=CC=CO1 DY759896 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.1 ClCC1=CC=CO1 NO13429 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.1 O=CC1=CCCC1 NO12865 [1,0,0,1,0,0|0,0,0]=2 238 B7R1.1 O=CC1CCCC1 DY21048 [1,0,0,1,0,0|0,0,2]=4 239 B7R1.1 O=C[C@@H]1CCCN1 DY626191 [1,0,0,1,0,0|1,0,1]=4 240 B7R1.4 CC1CCOC1=O DY759320 [1,0,0,1,0,0|1,0,1]=4 241 B7R1.4 CN1CC=CC1=O DY717447 [1,0,0,1,0,0|1,0,0]=3 242 B7R1.4 CN1N=CC=C1O NO10399 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.4 C[C@@H]1CCNC1=O DY546075 [1,0,0,1,0,0|1,0,1]=4 244 B7R1.4 C[C@H]1CCNC1=O DY560337 [1,0,0,1,0,0|1,0,1]=4 245 B9R1.7 CCCC1=CSC(N)=N1 NO13157 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.7 CCCN1C=CC(I)=N1 DY647313 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.7 CCC[C@H]1COC(=O)C1 DY426027 [0,1,0,1,0,0|0,0,2]=4 248 B9R1.7 NCCC1=CN=C(O)S1 DY110548 [0,1,0,1,0,0|1,1,0]=4 249 B9R1.13 O=C(O)CC1CCOC1 NO20367 [0,1,0,1,0,0|0,0,2]=4 250 B9R1.34 CC1=CC(O)=CC(=O)O1 NO15586 [0,1,0,1,0,0|0,0,2]=4 251 B9R1.34 CC1CC(=O)CC(=O)C1 NO19597 [0,1,0,1,0,0|1,0,1]=4 252 B9R1.34 CC1CC(=O)NC(=O)N1 DY695387 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.41 CC1=C(C(=O)O)C=CO1 NO21668 [0,1,0,1,0,0|0,0,2]=4 254 B9R1.41 CC1=C(C(=O)O)C=CS1 NO21702 [0,1,0,1,0,0|0,0,2]=4 255 B9R1.41 CC1=C(C(=O)O)C=NO1 NO17770 [0,1,0,1,0,0|1,0,1]=4 256 B9R1.41 CC1=C(C(=O)O)N=CO1 NO10431 [0,1,0,1,0,0|1,0,1]=4 257 B9R1.41 CC1=C(C(=O)O)N=CS1 NO17596 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.41 CC1=C(C(=O)O)NC=C1 DY106666 [0,1,0,1,0,0|0,0,2]=4 259 B9R1.41 CC1=C(C(=O)O)OC=N1 NO18905 [0,1,0,1,0,0|1,0,1]=4 260 B9R1.41 CC1=C(C(=O)O)SC=C1 NO23026 [0,1,0,1,0,0|0,0,2]=4 261 B9R1.41 CC1=C(C(=O)O)SC=N1 NO22753 [0,1,0,1,0,0|1,0,1]=4 262 B9R1.41 CC1=CNC=C1C(=O)O DY718335 [0,1,0,1,0,0|0,0,2]=4 263 B9R1.41 CC1=CSC=C1C(=O)O NO14827 [0,1,0,1,0,0|0,0,2]=4 264 B9R1.41 CC1=NNC=C1C(=O)O NO18295 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.41 CC1=NOC=C1C(=O)O NO18046 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.41 CN1C=CN=C1C(=O)O NO20745 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.41 CN1C=NC=C1C(=O)O NO20748 [0,1,0,1,0,0|1,0,1]=4 268 B9R1.41 CN1CCC[C@H]1C(=O)O NO11794 [0,1,0,1,0,0|0,0,2]=4 269 B9R1.41 CN1N=CC=C1C(=O)O NO17278 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.41 NC1=C(C(=O)O)CCC1 DY571317 [0,1,0,1,0,0|0,0,0]=2 271 B9R1.41 NC1CCCC1C(=O)O DY585767 [0,1,0,1,0,0|0,0,2]=4 272 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O DY550977 [0,1,0,1,0,0|0,0,2]=4 273 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O DY585907 [0,1,0,1,0,0|1,0,1]=4 274 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F DY586005 [0,1,0,1,0,0|1,0,1]=4 275 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F DY545055 [0,1,0,1,0,0|1,0,1]=4 276 B9R1.48 O=C1CCCCC(=O)C1 NO20375 [0,1,0,1,0,0|1,0,1]=4 277 B9R1.48 O=C1CCCCC(=S)N1 DY568851 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 DY103481 [0,1,0,1,0,0|0,0,2]=4 279 B9R1.59 COC[C@H]1C[C@@H]1C(=O)O DY586272 [0,1,0,1,0,0|0,0,2]=4 280 B9R1.1 CCC1=CC=C(O)C=C1 DY20188 [0,1,0,1,0,0|1,0,1]=4 281 B9R1.1 CCC1=CN=C(O)C=C1 DY660020 [0,1,0,1,0,0|1,0,1]=4 282 B9R1.3 CC1=C(O)C(=O)C=CO1 DY21095 [0,1,0,1,0,0|1,0,1]=4 283 B9R1.11 COC(=O)C1=CCCC1 NO18911 [0,1,0,1,0,0|0,0,0]=2 284 B9R1.11 COC(=O)C1CCCN1 NO11440 [0,1,0,1,0,0|1,0,1]=4 285 B9R1.11 COC(=O)[C@@H]1CCCN1 NO18447 [0,1,0,1,0,0|1,0,1]=4 286 B9R1.11 COC(=O)[C@@H]1CCCO1 DY576465 [0,1,0,1,0,0|1,0,1]=4 287 B9R1.21 O=CC1=CC=C(CO)O1 NO15585 [0,1,0,1,0,0|1,0,1]=4 288 B9R1.6 CC(=O)C1C=CCCC1 DY430670 [0,1,0,1,0,0|1,0,0]=3 289 B9R1.6 O=C(O)C1=CCCCC1 DY564789 [0,1,0,1,0,0|0,0,0]=2 290 B9R1.6 O=C(O)C1=CCNCC1 DY567225 [0,1,0,1,0,0|0,0,0]=2 291 B9R1.6 O=C(O)C1=COCCC1 DY553647 [0,1,0,1,0,0|0,0,0]=2 292 B9R1.6 O=C(O)C1CC=CCC1 DY20590 [0,1,0,1,0,0|0,0,2]=4 293 B9R1.6 O=C(O)C1CCCCN1 NO18433 [0,1,0,1,0,0|0,0,2]=4 294 B9R1.6 O=C(O)C1CCCNC1 NO22806 [0,1,0,1,0,0|0,0,2]=4 295 B9R1.6 O=C(O)C1CCCOC1 NO18526 [0,1,0,1,0,0|0,0,2]=4 296 B9R1.6 O=C(O)C1CCNCC1 NO15208 [0,1,0,1,0,0|0,0,2]=4 297 B9R1.6 O=C(O)C1CCNCC1 NO22807 [0,1,0,1,0,0|0,0,2]=4 298 B9R1.6 O=C(O)C1CCOCC1 NO18392 [0,1,0,1,0,0|0,0,2]=4 299 B9R1.6 O=C(O)C1CCSCC1 DY578325 [0,1,0,1,0,0|0,0,2]=4 300 B9R1.6 O=C(O)C1CNCCN1 NO16953 [0,1,0,1,0,0|1,0,1]=4 301 B9R1.6 O=C(O)C1CNCCN1 NO22631 [0,1,0,1,0,0|1,0,1]=4 302 B9R1.6 O=C(O)C1CNCCO1 NO21703 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.6 O=C(O)C1CNCCS1 DY738698 [0,1,0,1,0,0|1,0,1]=4 304 B9R1.6 O=C(O)C1CNCCS1 DY789387 [0,1,0,1,0,0|1,0,1]=4 305 B9R1.6 O=C(O)C1CSCCN1 NO19640 [0,1,0,1,0,0|1,0,1]=4 306 B9R1.6 O=C(O)N1CCNCC1 DY503859 [0,1,0,1,0,0|1,0,1]=4 307 B9R1.6 O=C(O)[C@@H]1CC=CCC1 DY20996 [0,1,0,1,0,0|0,0,2]=4 308 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO13937 [0,1,0,1,0,0|0,0,2]=4 309 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO18418 [0,1,0,1,0,0|0,0,2]=4 310 B9R1.6 O=C(O)[C@@H]1CCCNC1 NO12538 [0,1,0,1,0,0|0,0,2]=4 311 B9R1.6 O=C(O)[C@@H]1CCCNC1 NO22802 [0,1,0,1,0,0|0,0,2]=4 312 B9R1.6 O=C(O)[C@@H]1CCCNN1 DY625837 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.6 O=C(O)[C@@H]1CNCCN1 NO17152 [0,1,0,1,0,0|1,0,1]=4 314 B9R1.6 O=C(O)[C@@H]1COCCN1 NO16814 [0,1,0,1,0,0|1,0,1]=4 315 B9R1.6 O=C(O)[C@@H]1COCCN1 NO17811 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.6 O=C(O)[C@@H]1CSCCN1 DY565755 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.6 O=C(O)[C@H]1CC=CCC1 DY461064 [0,1,0,1,0,0|0,0,2]=4 318 B9R1.6 O=C(O)[C@H]1CCCCN1 NO18416 [0,1,0,1,0,0|0,0,2]=4 319 B9R1.6 OB(O)C1=CCCCC1 NO18401 [0,1,0,1,0,0|1,0,1]=4 320 B9R1.84 O=C(O)\C=C\C1CCC1 DY519489 [0,1,0,1,0,0|0,0,0]=2 321 B9R1.35 CC1=CC(C(=O)O)=CN1 NO15830 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.35 CC1=CC=C(C(=O)O)O1 NO19440 [0,1,0,1,0,0|0,0,2]=4 323 B9R1.35 CC1=CC=C(C(=O)O)S1 NO23027 [0,1,0,1,0,0|0,0,2]=4 324 B9R1.35 CC1=NC=C(C(=O)O)S1 NO21657 [0,1,0,1,0,0|1,0,1]=4 325 B9R1.35 CC1CN[C@H](C(=O)O)C1 DY586580 [0,1,0,1,0,0|1,0,1]=4 326 B9R1.35 CN1C=C(C(=O)O)C=N1 NO19177 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.35 CN1C=CC(C(=O)O)=N1 NO18190 [0,1,0,1,0,0|1,0,1]=4 328 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586577 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586579 [0,1,0,1,0,0|1,0,1]=4 330 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 DY586578 [0,1,0,1,0,0|1,0,1]=4 331 B9R1.35 NC1CCC(C(=O)O)C1 NO16161 [0,1,0,1,0,0|0,0,2]=4 332 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 DY529041 [0,1,0,1,0,0|0,0,2]=4 333 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 DY628863 [0,1,0,1,0,0|0,0,2]=4 334 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 NO14934 [0,1,0,1,0,0|0,0,2]=4 335 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 DY627831 [0,1,0,1,0,0|0,0,2]=4 336 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 NO17903 [0,1,0,1,0,0|0,0,2]=4 337 B9R1.35 O=C(O)[C@@H]1C[C@@H](I)CN1 DY515055 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 NO18304 [0,1,0,1,0,0|1,0,1]=4 339 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 DY620370 [0,1,0,1,0,0|0,0,2]=4 340 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 DY526479 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 NO19994 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 NO22793 [0,1,0,1,0,0|1,0,1]=4 343 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 NO12039 [0,1,0,1,0,0|1,0,1]=4 344 B9R1.35 O=C1C=C(C(=O)O)CO1 DY531771 [0,1,0,1,0,0|1,0,1]=4 345 B9R1.110 CC(C(=O)O)C1CCC1 DY586363 [0,1,0,1,0,0|0,0,2]=4 346 B9R1.110 CC(C(=O)O)N1CCC1 DY607944 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.110 N[C@H](C(=O)O)C1CCC1 DY444508 [0,1,0,1,0,0|0,0,2]=4 348 B9R1.112 C[C@H](CC1CC1)C(=O)O DY586262 [0,1,0,1,0,0|0,0,2]=4 349 B9R1.112 NC(CC1CC1)C(=O)O DY628713 [0,1,0,1,0,0|0,0,2]=4 350 B9R1.112 N[C@H](CC1CC1)C(=O)O NO18682 [0,1,0,1,0,0|0,0,2]=4 351 B9R1.163 C[C@@]1(C(=O)O)CCCN1 DY10549 [0,1,0,1,0,0|1,0,1]=4 352 B9R1.163 C[C@]1(C(=O)O)CCCO1 DY563493 [0,1,0,1,0,0|1,0,1]=4 353 B9R1.163 NC1(C(=O)O)CCCC1 NO18420 [0,1,0,1,0,0|0,0,2]=4 354 B9R1.163 O=C(O)C1(O)CCCC1 NO20733 [0,1,0,1,0,0|0,0,2]=4 355 B9R1.161 CC(C)[C@H]1C[C@@H]1C(=O)O DY586271 [0,1,0,1,0,0|0,0,2]=4