0 B7R0.4 C#CCCCC(=O)O NO14686 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.4 CC(=O)CCCCBr NO10627 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.4 CC(O)COCCN DY560097 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CCCCCB(O)O NO22305 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.4 CCCCCC(=O)Cl DY822275 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.4 CCCCCC(C)O NO21570 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.4 CCCOCC(=O)O DY425744 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.4 CCCSCC(N)=O DY742801 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.4 CCC\C=C\B(O)O DY707071 [0,0,0,0,0,0|1,0,3]=4 9 B7R0.4 CCO\C=C\C(=O)O NO22271 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.4 CN(C)CCCCCl DY551337 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.4 CN(C)CCCCO NO22813 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.4 CNCCCC(=O)O DY702793 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.4 CNCCCN(C)C DY584479 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.4 N#CCSCC(=O)O DY796389 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.4 O=C(Cl)CCCCCl DY460464 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.4 [N-]=[N+]=NCCC(=O)O DY457240 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.4 C#CCCC(=O)O DY428029 [1,0,0,0,0,0|0,0,2]=3 18 B6R0.4 C=CCCC(=O)O NO15216 [1,0,0,0,0,0|0,0,2]=3 19 B6R0.4 CC(=O)CCCBr NO10305 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 CC(=O)CCCCl NO10334 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.4 CC(=O)NCCCl DY33011 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.4 CCCCC(C)O DY740779 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.4 CCCC[SiH](C)C DY500283 [1,0,0,0,0,0|2,1,0]=4 24 B6R0.4 CC\C=C\C(C)=O DY822743 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.4 COCCC(=N)N DY569565 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 CSCCC(C)=O DY740809 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 N#CCCC(=O)O NO22262 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.4 NCCCC(=O)O NO14998 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.4 NCCNC(=O)O DY822495 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 NC\C=C\C(=O)O DY552195 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.4 O=C(O)CCCBr NO14053 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.6 C#CCCCC=C DY565911 [1,0,0,0,0,0|1,0,2]=4 33 B6R0.6 C=CCCCCCl DY427568 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.6 C=CCCCCO NO10397 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.6 C=CCCC[Zn]Br DY121349 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.6 CC#CCCCO DY580533 [1,0,0,0,0,0|0,0,3]=4 37 B6R0.6 CCCCON=O DY461106 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.6 CCCCSCC DY740893 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.6 CCCOCCO DY740785 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.6 CNCCCCBr DY741283 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.6 CNCCCCO DY554133 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.6 COCCCCBr NO22933 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.6 COCCCCO DY741295 [1,0,0,0,0,0|1,0,1]=3 44 B6R0.6 COCCCOC DY792147 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.6 ClCCCCCBr DY559653 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.6 FCCCCCBr NO14708 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.6 FCCCCCF DY822300 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 N#CCCCCCl NO10359 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 NCCCCCN NO19074 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.6 NCCNCCO DY506670 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.6 O=CCCCC=O DY822316 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.6 O=CCCCCBr DY510224 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.6 OCCCCCCl NO14778 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.6 OCCCCCF DY822292 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.6 OCCCCCO NO20549 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.6 OCCNCCCl DY544797 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.5 CCOC(=O)CC(N)=O NO18301 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.5 COCC(C)OC(C)=O DY822378 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.6 CCCCNC(=O)CCl NO11766 [0,1,0,0,0,0|2,0,0]=3 60 B8R0.6 CCCCNC(=S)NN DY797331 [0,1,0,0,0,0|2,1,0]=4 61 B8R0.6 NCC(=O)NCCCO DY741271 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.6 O=CCCCC(O)C=O DY822725 [0,1,0,0,0,0|1,0,2]=4 63 B8R0.7 CCCCCCC(=O)O DY822462 [0,1,0,0,0,0|0,0,0]=1 64 B8R0.7 CCCCCC[C@H](C)O DY626179 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.7 CCOCCOC(=O)Cl DY797049 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.7 CSCCCCC(=O)O DY112374 [0,1,0,0,0,0|0,0,0]=1 67 B8R0.7 NCCCCCC(=O)O NO13381 [0,1,0,0,0,0|0,0,0]=1 68 B8R0.7 NCCOCCC(=O)O DY739157 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.7 O=C(O)CCCCCBr NO18405 [0,1,0,0,0,0|0,0,0]=1 70 B8R0.7 O=[N+]([O-])OCCCCO DY542799 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.8 CCCC[C@H](C)C(=O)O DY585471 [0,1,0,0,0,0|0,0,0]=1 72 B8R0.8 CSCCC(=O)C(=O)[O-] DY558027 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.8 CSCCC(N)C(=O)O DY500936 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.8 CSCC[C@H](N)C(=O)O NO18644 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.8 NCCC[C@@H](N)C(=O)O DY550209 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.8 NCCC[C@H](N)C(=O)O NO22279 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.9 COC(=O)CCC(=O)O NO11694 [0,1,0,0,0,0|1,0,1]=3 78 B8R0.9 COC(C)COC(C)=O DY822690 [0,1,0,0,0,0|3,0,0]=4 79 B8R0.9 NCC(=O)CCC(=O)O DY34214 [0,1,0,0,0,0|1,0,1]=3 80 B8R0.9 NCC(=O)CCC(=O)O NO10222 [0,1,0,0,0,0|1,0,1]=3 81 B8R0.21 CCCCCS(=O)(=O)[O-] DY445019 [0,1,0,0,0,0|1,0,1]=3 82 B8R0.21 CCCCCS(=O)(=O)[O-] DY445025 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.21 CCOCCS(=O)(=O)Cl NO15940 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.21 CS(=O)(=O)CCCCN DY116558 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.28 CC(=O)CCC=C(C)C DY506172 [0,1,0,0,0,0|1,0,2]=4 86 B8R0.28 CC(=O)CCCC(=O)O DY547923 [0,1,0,0,0,0|0,0,1]=2 87 B8R0.28 CC(=O)NCCC(=O)O DY584556 [0,1,0,0,0,0|1,0,1]=3 88 B8R0.28 CC(C)CCCC(=O)O DY564243 [0,1,0,0,0,0|0,0,0]=1 89 B8R0.28 CC(C)CCCC(C)N DY822701 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.28 CN(C)CCCC(=O)O NO18615 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.28 CN(C)C\C=C\C(=O)O NO15971 [0,1,0,0,0,0|1,0,2]=4 92 B8R0.28 CN(C)C\C=C\C(=O)O NO16134 [0,1,0,0,0,0|1,0,2]=4 93 B8R0.28 N=C(N)NCCC(=O)O DY550569 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.28 NC(=O)CCCC(=O)O DY604617 [0,1,0,0,0,0|1,0,1]=3 95 B8R0.28 NC(=O)CCCC(N)=O DY549807 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.28 NC(=O)COCC(=O)O DY604478 [0,1,0,0,0,0|2,0,1]=4 97 B8R1.1 CCC1COC(=O)N1 DY607707 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.1 N#C[C@@H]1CCC(=O)C1 DY533241 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.1 NCC1CNC(=O)O1 DY529719 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 DY582081 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.1 NC[C@H]1CNC(=O)C1 DY529623 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.1 O=C1C=C[C@@H](CO)O1 DY20390 [0,0,0,1,0,0|1,0,2]=4 103 B8R1.1 O=C1CCC(CO)N1 DY564003 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.1 O=C1C[C@H](CF)CO1 DY822230 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.1 O=C1NC[C@@H](CO)O1 DY583311 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.1 O=C1N[C@@H](CO)CO1 DY524079 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.4 CC1=CC(C)OCC1 DY560031 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.4 CC1CCCN(N)C1 DY774663 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.4 CC1CCNC(=O)N1 DY694421 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.4 CN1CCCC(=O)C1 DY774909 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.4 CN1CCNC(=O)C1 NO13438 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.4 CN1CCOC(=O)C1 NO17566 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.4 C[C@@H]1CC(=O)CCN1 DY586650 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.4 C[C@@H]1CCC[C@H](O)C1 DY757141 [0,0,0,1,0,0|1,0,1]=3 117 B8R1.4 C[C@H]1CNC[C@@H](C)O1 DY459894 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.4 C[C@H]1C[C@@H](O)CCN1 DY102289 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.4 NC1CCCC(O)C1 NO17342 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.4 NC1CCCC(O)C1 NO18558 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.4 NC1CCNC(=O)C1 NO15459 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.4 N[C@H]1CCC[C@H](O)C1 DY513927 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.4 O=C1C=C(Br)CCC1 DY560859 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.4 O=C1CCCC(=O)C1 NO19094 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.4 O=C1CCCC(=O)O1 NO11243 [0,0,0,1,0,0|1,0,1]=3 126 B8R1.4 O=C1C[C@@H](O)CCN1 DY555969 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.4 O=S1CCCC(Br)C1 DY586414 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.6 CCCC1CC(=O)C1 DY561087 [0,0,0,1,0,0|1,0,0]=2 129 B8R1.6 NCC[C@H]1C[C@@H](O)C1 DY608447 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.7 CC(=O)C1CCCC1 DY445790 [0,0,0,1,0,0|1,0,0]=2 131 B8R1.7 CC(=O)C1CCCC1 NO20673 [0,0,0,1,0,0|1,0,0]=2 132 B8R1.7 CC(=O)C1CCCO1 DY586599 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.7 CC(=O)[C@H]1CCCN1 DY586041 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.7 CC(=O)[C@H]1CCCO1 DY586598 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.7 CC(O)C1CCCC1 DY757207 [0,0,0,1,0,0|1,0,1]=3 136 B8R1.7 N=C(N)C1CCCC1 DY585765 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.7 N=C(N)N1CCCC1 DY717135 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.7 NC(=O)C1CC=CC1 NO11184 [0,0,0,1,0,0|1,0,2]=4 139 B8R1.7 NC(=O)C1CCCC1 DY794313 [0,0,0,1,0,0|1,0,0]=2 140 B8R1.7 NC(=O)C1CCNC1 DY555753 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.7 NC(=O)C1CCNC1 DY565263 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.7 NC(=O)N1CCCC1 DY717045 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.7 NC(=O)[C@@H]1CCCN1 NO22629 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.7 NC(=O)[C@H]1CCCN1 DY438122 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.7 O=C(O)C1=NCCC1 DY584439 [0,0,0,1,0,0|1,0,1]=3 146 B8R1.7 O=C(O)C1C=CCN1 DY436935 [0,0,0,1,0,0|1,0,2]=4 147 B8R1.7 O=C(O)C1C=CCO1 DY788385 [0,0,0,1,0,0|1,0,2]=4 148 B8R1.7 O=C(O)C1CCCN1 NO18287 [0,0,0,1,0,0|1,0,0]=2 149 B8R1.7 O=C(O)C1CCCO1 DY20393 [0,0,0,1,0,0|1,0,0]=2 150 B8R1.7 O=C(O)C1CCNC1 NO18444 [0,0,0,1,0,0|1,0,0]=2 151 B8R1.7 O=C(O)C1CCNC1 NO19637 [0,0,0,1,0,0|1,0,0]=2 152 B8R1.7 O=C(O)C1CCOC1 DY444586 [0,0,0,1,0,0|1,0,0]=2 153 B8R1.7 O=C(O)C1CCSS1 DY566085 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.7 O=C(O)C1NCCS1 NO16514 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [0,0,0,1,0,0|1,0,0]=2 156 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [0,0,0,1,0,0|1,0,0]=2 157 B8R1.7 O=C(O)[C@@H]1CSCN1 DY20446 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.7 O=C(O)[C@H]1CCCN1 NO22249 [0,0,0,1,0,0|1,0,0]=2 159 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [0,0,0,1,0,0|1,0,0]=2 160 B8R1.7 O=C(O)[C@H]1CCNC1 DY569091 [0,0,0,1,0,0|1,0,0]=2 161 B8R1.7 O=C(O)[C@H]1CSCN1 NO15627 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.22 C=C1OCCCCO1 DY567825 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.22 O=C1CCCCCC1 DY461238 [0,0,0,1,0,0|1,0,0]=2 164 B8R1.22 O=C1CCCNCC1 NO19096 [0,0,0,1,0,0|2,0,0]=3 165 B8R1.22 O=C1CCNCCN1 NO18857 [0,0,0,1,0,0|2,0,0]=3 166 B8R1.22 O=C1OCCCCO1 DY770703 [0,0,0,1,0,0|1,0,0]=2 167 B8R1.22 O[C@H]1CCCCNC1 DY625519 [0,0,0,1,0,0|2,0,1]=4 168 B8R1.22 O[C@H]1CCCOCC1 DY770757 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.34 CC(=O)NC1CNC1 DY502431 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.34 O=C(O)C=C1CCC1 DY544251 [0,0,0,1,0,0|0,0,2]=3 171 B8R1.34 O=C(O)CC1CCC1 NO11177 [0,0,0,1,0,0|0,0,0]=1 172 B8R1.34 O=C(O)CC1CCN1 DY584158 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.34 O=C(O)CN1CCC1 DY719380 [0,0,0,1,0,0|1,0,0]=2 174 B8R1.35 N=C(N)SCC1CC1 DY758503 [0,0,0,1,0,0|3,0,0]=4 175 B8R1.35 O=C(O)CCC1CC1 NO19562 [0,0,0,1,0,0|0,0,0]=1 176 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O DY586259 [0,0,0,1,0,0|0,0,0]=1 177 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O DY586268 [0,0,0,1,0,0|0,0,0]=1 178 B8R1.72 CC1(Br)CCCCC1 DY584406 [0,0,0,1,0,0|2,0,1]=4 179 B8R1.72 CC1(O)CCOCC1 NO12641 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.72 FC1(Br)CCCCC1 DY797283 [0,0,0,1,0,0|2,0,1]=4 181 B8R1.72 O=S1(=O)CCCCN1 DY428209 [0,0,0,1,0,0|2,0,1]=4 182 B8R1.72 OC1(O)CCNCC1 NO10106 [0,0,0,1,0,0|1,0,2]=4 183 B5R0.1 CC#CC(=O)O DY20776 [2,0,0,0,0,0|0,0,2]=4 184 B5R0.1 CCCB(O)O NO14802 [2,0,0,0,0,0|1,0,1]=4 185 B5R0.1 CCCC(=O)[O-] DY822775 [2,0,0,0,0,0|0,0,1]=3 186 B5R0.1 CCCC(C)=O NO21731 [2,0,0,0,0,0|1,0,0]=3 187 B5R0.1 CCCC(C)O DY741013 [2,0,0,0,0,0|1,0,1]=4 188 B5R0.1 CCNC(C)=O DY564051 [2,0,0,0,0,0|2,0,0]=4 189 B5R0.1 CNCC(=O)O NO18595 [2,0,0,0,0,0|1,0,0]=3 190 B5R0.1 COCC(=O)O NO11579 [2,0,0,0,0,0|1,0,0]=3 191 B5R0.1 CSCC(=O)O DY543879 [2,0,0,0,0,0|1,0,0]=3 192 B5R0.1 CSCC(N)=O NO12608 [2,0,0,0,0,0|2,0,0]=4 193 B5R0.1 C\C=C\C(=O)O DY41882 [2,0,0,0,0,0|0,0,2]=4 194 B5R0.1 NCCC(=O)O NO13499 [2,0,0,0,0,0|1,0,0]=3 195 B5R0.1 O=C(O)OCCl DY523719 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.2 C=CCCCBr DY460284 [2,0,0,0,0,0|1,0,1]=4 197 B5R0.2 CCCCCBr NO20657 [2,0,0,0,0,0|1,0,0]=3 198 B5R0.2 CCCC[Mg]Cl DY567561 [2,0,0,0,0,0|2,0,0]=4 199 B5R0.2 CCOCCBr NO21396 [2,0,0,0,0,0|2,0,0]=4 200 B5R0.2 CC\C=C\CO DY527871 [2,0,0,0,0,0|0,0,2]=4 201 B5R0.2 CNCCCO NO14200 [2,0,0,0,0,0|1,0,0]=3 202 B5R0.2 COCCCBr NO20649 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.2 COCCCO NO20039 [2,0,0,0,0,0|1,0,0]=3 204 B5R0.2 CSCCCO DY557199 [2,0,0,0,0,0|1,0,0]=3 205 B5R0.2 C\C=C\CCO DY799773 [2,0,0,0,0,0|0,0,2]=4 206 B5R0.2 FCCCCF DY822299 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.2 NCCCCBr NO14979 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.2 NCCCCN NO19906 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.2 OCCCCF DY822291 [2,0,0,0,0,0|1,0,0]=3 210 B7R0.2 CCC(=O)CC(C)=O NO21124 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [1,1,0,0,0,0|0,0,0]=2 212 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [1,1,0,0,0,0|0,0,0]=2 213 B7R0.2 CNC(=O)CC(=O)O DY604593 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.2 CNC(C)CC(=O)O DY606375 [1,1,0,0,0,0|1,0,0]=3 215 B7R0.2 COC(=O)CC(=O)O NO13436 [1,1,0,0,0,0|1,0,1]=4 216 B7R0.2 NC[C@@H](F)C[PH](=O)O DY549963 [1,1,0,0,0,0|2,0,0]=4 217 B7R0.2 NC[C@H](O)CC(=O)O NO16710 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.3 C#CCCC(=O)OC DY424002 [1,1,0,0,0,0|0,0,2]=4 219 B7R0.3 CCCCC(O)CO DY567525 [1,1,0,0,0,0|0,0,2]=4 220 B7R0.3 CC\C=C\C(=O)OC DY741019 [1,1,0,0,0,0|0,0,2]=4 221 B7R0.3 COC(=O)CCC#N DY553731 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.3 COC(=O)CCC=O DY21172 [1,1,0,0,0,0|1,0,1]=4 223 B7R0.3 COCC\C(N)=N\O DY610313 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.5 C#CC[C@@H](N)C(=O)O DY21037 [1,1,0,0,0,0|0,0,2]=4 225 B7R0.5 C#CC[C@H](N)C(=O)O NO13900 [1,1,0,0,0,0|0,0,2]=4 226 B7R0.5 CCCC(C)C(C)=O DY740965 [1,1,0,0,0,0|1,0,0]=3 227 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [1,1,0,0,0,0|0,0,0]=2 228 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [1,1,0,0,0,0|0,0,0]=2 229 B7R0.5 COC[C@@H](N)C(=O)O NO12183 [1,1,0,0,0,0|1,0,0]=3 230 B7R0.5 COC[C@H](N)C(=O)O NO16755 [1,1,0,0,0,0|1,0,0]=3 231 B7R0.5 COC[C@H](N)C(=O)O NO20335 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.5 NC(CCO)C(=O)O NO13886 [1,1,0,0,0,0|1,0,0]=3 233 B7R0.5 NCCC(N)C(=O)O DY700789 [1,1,0,0,0,0|1,0,0]=3 234 B7R0.5 NCCC(N)C(=O)O NO15080 [1,1,0,0,0,0|1,0,0]=3 235 B7R0.5 NCCC(O)C(=O)O NO15496 [1,1,0,0,0,0|1,0,0]=3 236 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [1,1,0,0,0,0|1,0,0]=3 237 B7R0.5 NCC[C@H](N)C(=O)O DY439091 [1,1,0,0,0,0|1,0,0]=3 238 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [1,1,0,0,0,0|1,0,0]=3 239 B7R0.5 N[C@@H](CCO)C(=O)O NO22620 [1,1,0,0,0,0|1,0,0]=3 240 B7R0.5 N[C@H](CCO)C(=O)O NO16701 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.6 C=C(C)CCC(=O)O NO16527 [1,1,0,0,0,0|0,0,1]=3 242 B7R0.6 CC(=O)CCC(=O)O NO18688 [1,1,0,0,0,0|0,0,1]=3 243 B7R0.6 CC(=O)NCC(=O)O NO19131 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.6 CC(=O)SCC(=O)O DY447723 [1,1,0,0,0,0|1,0,1]=4 245 B7R0.6 CC(C)CCC(=N)N DY611066 [1,1,0,0,0,0|2,0,0]=4 246 B7R0.6 CN(C)CCC(=O)O NO12169 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.6 C[C@@H](O)CC[C@@H](C)O DY459360 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.8 CCCOS(=O)(=O)O DY798855 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.8 NCCCP(=O)(O)O NO22520 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.1 BrCCCCCCBr NO20550 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.1 C#CCCCCCC DY740767 [1,1,0,0,0,0|1,0,1]=4 252 B7R0.1 C#CCCCCCO NO10705 [1,1,0,0,0,0|0,0,2]=4 253 B7R0.1 C=CCCCCCBr NO19607 [1,1,0,0,0,0|1,0,0]=3 254 B7R0.1 CCCOCCCN DY740653 [1,1,0,0,0,0|1,0,1]=4 255 B7R0.1 ClCCCCCCI DY550149 [1,1,0,0,0,0|1,0,1]=4 256 B7R0.1 FCCCCCCF DY822301 [1,1,0,0,0,0|1,0,1]=4 257 B7R0.1 NCCCCCCN DY740617 [1,1,0,0,0,0|1,0,1]=4 258 B7R0.1 OCCCCCCBr NO14335 [1,1,0,0,0,0|0,0,1]=3 259 B7R0.1 OCCCCCCF DY822293 [1,1,0,0,0,0|0,0,1]=3 260 B7R0.1 OCCOCCCCl DY740305 [1,1,0,0,0,0|1,0,1]=4 261 B7R0.1 SCCCCCCS DY741367 [1,1,0,0,0,0|0,1,1]=4 262 B7R0.7 CCOC(=O)CC=O DY586084 [1,1,0,0,0,0|1,0,1]=4 263 B9R0.4 CSCC[C@H](N)CC(=O)O DY570603 [0,2,0,0,0,0|0,0,0]=2 264 B9R0.4 NCCCC(N)CC(=O)O DY583857 [0,2,0,0,0,0|0,0,0]=2 265 B9R0.23 COC(=O)[C@H](N)CC(=O)O DY436254 [0,2,0,0,0,0|1,0,1]=4 266 B9R0.23 COC(=O)[C@H](O)CC(=O)O DY622299 [0,2,0,0,0,0|1,0,1]=4 267 B9R0.34 COCC(=O)CC(=O)OC DY20562 [0,2,0,0,0,0|1,0,1]=4 268 B9R0.53 CC(C)CC(N)CC(=O)O NO19014 [0,2,0,0,0,0|0,0,0]=2 269 B9R0.53 CC(C)C[C@@H](N)CC(=O)O DY701461 [0,2,0,0,0,0|0,0,0]=2 270 B9R0.53 CC(C)C[C@H](N)CC(=O)O DY439109 [0,2,0,0,0,0|0,0,0]=2 271 B9R0.53 NC(CC(=O)O)CC(=O)O DY439301 [0,2,0,0,0,0|1,0,1]=4 272 B9R0.58 CCCC(C)(O)CC(=O)O DY562053 [0,2,0,0,0,0|0,0,0]=2 273 B9R0.5 CCCCCC(=O)OCC DY822461 [0,2,0,0,0,0|0,0,0]=2 274 B9R0.5 CCCCNC(=O)CCN DY741211 [0,2,0,0,0,0|2,0,0]=4 275 B9R0.5 CCNCCC(=O)OCC DY703477 [0,2,0,0,0,0|1,0,0]=3 276 B9R0.5 CCOC(=O)CCCCBr NO13726 [0,2,0,0,0,0|1,0,0]=3 277 B9R0.5 CCOC(=O)CCCCN NO14354 [0,2,0,0,0,0|1,0,0]=3 278 B9R0.46 COC(=O)CCCCCBr DY523155 [0,2,0,0,0,0|0,0,0]=2 279 B9R0.46 COC(=O)CCCCCN NO11662 [0,2,0,0,0,0|0,0,0]=2 280 B9R0.46 COCCCNC(=O)CN DY741265 [0,2,0,0,0,0|2,0,0]=4 281 B9R0.47 C=CCCC[C@@H](N)C(=O)O DY628077 [0,2,0,0,0,0|0,0,1]=3 282 B9R0.47 CCCCCC(C)C(=O)O DY509948 [0,2,0,0,0,0|0,0,0]=2 283 B9R0.47 CCCCCC(N)C(=O)O DY506843 [0,2,0,0,0,0|0,0,0]=2 284 B9R0.47 CCCCOC(=O)C(C)=O DY792807 [0,2,0,0,0,0|1,0,1]=4 285 B9R0.47 CCCCOC(=O)C(C)C DY583197 [0,2,0,0,0,0|2,0,0]=4 286 B9R0.47 CCCCOC(=O)[C@H](C)N NO15628 [0,2,0,0,0,0|2,0,0]=4 287 B9R0.47 CCSCC[C@@H](N)C(=O)O DY558999 [0,2,0,0,0,0|0,0,0]=2 288 B9R0.47 NCCCCC(N)C(=O)O NO18635 [0,2,0,0,0,0|0,0,0]=2 289 B9R0.47 NCCCCC(N)C(=O)O NO19277 [0,2,0,0,0,0|0,0,0]=2 290 B9R0.47 NCCCC[C@@H](N)C(=O)O DY503163 [0,2,0,0,0,0|0,0,0]=2 291 B9R0.47 NCCCC[C@@H](N)C(=O)O NO18638 [0,2,0,0,0,0|0,0,0]=2 292 B9R0.47 NCCCC[C@H](N)C(=O)O DY20432 [0,2,0,0,0,0|0,0,0]=2 293 B9R0.47 NCCCC[C@H](N)C(=O)O NO14946 [0,2,0,0,0,0|0,0,0]=2 294 B9R0.47 NCCCC[C@H](N)C(=O)O NO19147 [0,2,0,0,0,0|0,0,0]=2 295 B9R0.47 NCCOC[C@H](N)C(=O)O DY584403 [0,2,0,0,0,0|1,0,0]=3 296 B9R0.47 N[C@@H](CCCNO)C(=O)O DY551895 [0,2,0,0,0,0|1,0,0]=3 297 B9R0.2 C=CCCCCCC(=O)O DY741061 [0,2,0,0,0,0|0,0,0]=2 298 B9R0.2 CC(=O)NCCOCCN DY790167 [0,2,0,0,0,0|2,0,0]=4 299 B9R0.2 CC(=O)OCCOCCO DY739493 [0,2,0,0,0,0|2,0,0]=4 300 B9R0.2 CCCCCCCB(O)O DY454048 [0,2,0,0,0,0|1,0,1]=4 301 B9R0.2 CCCCCCOC(=O)Cl NO11449 [0,2,0,0,0,0|1,0,0]=3 302 B9R0.2 CCCCC\C=C\B(O)O DY707005 [0,2,0,0,0,0|1,0,1]=4 303 B9R0.2 CNCCOCCC(=O)O DY739619 [0,2,0,0,0,0|0,0,0]=2 304 B9R0.2 COCCCCCC(=O)O DY603806 [0,2,0,0,0,0|0,0,0]=2 305 B9R0.2 NCCCCCCC(=O)O NO10138 [0,2,0,0,0,0|0,0,0]=2 306 B9R0.2 O=C(O)CCCCCCO NO10820 [0,2,0,0,0,0|0,0,0]=2 307 B9R0.38 CCCCCCP(=O)(O)O DY822564 [0,2,0,0,0,0|1,0,0]=3 308 B9R0.48 CCOC(=O)CCC(=O)O NO11693 [0,2,0,0,0,0|0,0,1]=3 309 B9R0.55 CC(=O)NCCCC(=O)O DY547305 [0,2,0,0,0,0|0,0,1]=3 310 B9R0.55 O=C(O)CCCCC(=O)O DY522735 [0,2,0,0,0,0|0,0,1]=3 311 B9R0.7 CC(=O)OC[C@H](N)C(=O)O DY428251 [0,2,0,0,0,0|1,0,1]=4 312 B9R0.7 CC(C)CC[C@H](N)C(=O)O NO10576 [0,2,0,0,0,0|0,0,0]=2 313 B9R0.7 CC(C)COC(C)C(=O)O DY585447 [0,2,0,0,0,0|1,0,0]=3 314 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O DY539841 [0,2,0,0,0,0|1,0,0]=3 315 B9R0.7 NC(=O)[C@H](N)CCC(=O)O DY437668 [0,2,0,0,0,0|1,0,1]=4 316 B9R0.7 NC(CCC(=O)O)C(=O)O NO15295 [0,2,0,0,0,0|1,0,1]=4 317 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DY437662 [0,2,0,0,0,0|1,0,1]=4 318 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DY822470 [0,2,0,0,0,0|1,0,1]=4 319 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] DY792687 [0,2,0,0,0,0|1,0,1]=4 320 B9R0.13 CCCCC(CC)C(=O)[O-] DY740359 [0,2,0,0,0,0|0,0,1]=3 321 B9R0.13 CCCCC(CC)C(=O)[O-] DY822436 [0,2,0,0,0,0|0,0,1]=3 322 B9R0.13 CCCCC(CC)C(=O)[O-] DY822437 [0,2,0,0,0,0|0,0,1]=3 323 B9R0.13 CCCC[C@@H](CO)C(=O)O DY797973 [0,2,0,0,0,0|0,0,0]=2 324 B9R0.42 CCC(C)NC(=O)C(=O)O DY604587 [0,2,0,0,0,0|1,0,1]=4 325 B9R0.42 COC(=O)C[C@@H](N)C(=O)O NO22944 [0,2,0,0,0,0|1,0,1]=4 326 B9R0.42 COC(=O)C[C@H](N)C(=O)O NO13817 [0,2,0,0,0,0|1,0,1]=4 327 B9R0.56 CC(C)(N)COCC(=O)O DY628593 [0,2,0,0,0,0|1,0,0]=3 328 B9R0.56 CC(C)CCCC(C)(C)O DY517797 [0,2,0,0,0,0|1,0,1]=4 329 B9R0.56 CC(N)CCCC(C)(C)O DY559527 [0,2,0,0,0,0|1,0,1]=4 330 B7R1.2 CC1=CC(=O)CC1 NO22356 [1,0,0,1,0,0|1,0,1]=4 331 B7R1.2 CC1=CCC(=O)O1 DY562161 [1,0,0,1,0,0|0,0,2]=4 332 B7R1.2 CC1=NCC(=O)O1 DY774159 [1,0,0,1,0,0|1,0,1]=4 333 B7R1.2 CC1CCC(=O)N1 DY505299 [1,0,0,1,0,0|1,0,0]=3 334 B7R1.2 CN1CCC(=O)C1 NO20760 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.3 O=C1CCCCO1 NO11208 [1,0,0,1,0,0|0,0,0]=2 338 B7R1.3 O=C1CCCNC1 DY557319 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.3 O=C1CCCNC1 NO17767 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.3 O=C1CCOCC1 NO13380 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.3 O=C1CCSCC1 NO18797 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.3 O=C1CNCCN1 NO19142 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.3 O=C1COCCN1 NO11697 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.3 O=C1COCCO1 DY20725 [1,0,0,1,0,0|1,0,0]=3 345 B7R1.3 O=S1CCCCC1 DY822282 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.7 CCCC[C@H]1CO1 DY822259 [1,0,0,1,0,0|1,0,1]=4 347 B7R1.10 COC1CC(=O)N1 DY548379 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.10 NCC1CC(=O)C1 DY522525 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.12 C[C@H]1C[C@H]1B(O)O DY705817 [1,0,0,1,0,0|1,0,1]=4 350 B7R1.12 O=C(O)[C@@H]1C[C@@H]1O DY758659 [1,0,0,1,0,0|1,0,0]=3 351 B7R1.12 O=C(O)[C@@H]1C[C@H]1O DY758671 [1,0,0,1,0,0|1,0,0]=3 352 B7R1.12 O=C(O)[C@H]1C[C@H]1F DY21162 [1,0,0,1,0,0|1,0,0]=3 353 B7R1.14 CC1(O)CCCC1 NO20768 [1,0,0,1,0,0|1,0,1]=4 354 B7R1.18 CC(O)C1CCC1 NO20672 [1,0,0,1,0,0|1,0,1]=4 355 B7R1.18 NC(=O)C1CNC1 DY10515 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.18 NC(=O)C1CNC1 DY10516 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.18 O=C(O)C1CCC1 NO22786 [1,0,0,1,0,0|0,0,0]=2 358 B7R1.18 O=C(O)C1CCN1 NO18844 [1,0,0,1,0,0|1,0,0]=3 359 B7R1.18 O=C(O)C1CNC1 NO16485 [1,0,0,1,0,0|1,0,0]=3 360 B7R1.18 O=C(O)C1COC1 NO22389 [1,0,0,1,0,0|1,0,0]=3 361 B7R1.18 O=C(O)[C@@H]1CCN1 DY718876 [1,0,0,1,0,0|1,0,0]=3 362 B7R1.18 O=C(O)[C@H]1CCN1 NO16493 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.18 O=C(O)[C@H]1CCN1 NO16972 [1,0,0,1,0,0|1,0,0]=3 364 B7R1.18 OB(O)C1CCC1 NO12533 [1,0,0,1,0,0|1,0,1]=4 365 B7R1.20 O=C(O)C[C@H]1CO1 DY506016 [1,0,0,1,0,0|1,0,0]=3 366 B7R1.1 BrCC1CCCC1 DY20145 [1,0,0,1,0,0|1,0,1]=4 367 B7R1.1 C#CC1CCCC1 DY822738 [1,0,0,1,0,0|1,0,1]=4 368 B7R1.1 CCC1CCCN1 DY738230 [1,0,0,1,0,0|1,0,1]=4 369 B7R1.1 CCC1CCNC1 DY585732 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.1 CNC1CCCC1 DY757231 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.1 COC1CCCC1 DY459258 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.1 NCC1CCCC1 NO14873 [1,0,0,1,0,0|1,0,1]=4 373 B7R1.1 NNC1CCCC1 DY543699 [1,0,0,1,0,0|2,0,0]=4 374 B7R1.1 O=CC1=CCCC1 NO12865 [1,0,0,1,0,0|0,0,2]=4 375 B7R1.1 O=CC1CCCC1 DY21048 [1,0,0,1,0,0|0,0,0]=2 376 B7R1.1 O=C[C@@H]1CCCN1 DY626191 [1,0,0,1,0,0|1,0,0]=3 377 B7R1.1 OCC1CCCC1 NO11185 [1,0,0,1,0,0|0,0,1]=3 378 B7R1.1 OCC1CCCN1 DY556821 [1,0,0,1,0,0|1,0,1]=4 379 B7R1.1 OCC1CCCN1 DY668415 [1,0,0,1,0,0|1,0,1]=4 380 B7R1.1 OCC1CCCO1 DY20392 [1,0,0,1,0,0|1,0,1]=4 381 B7R1.1 OCC1CCNC1 NO11284 [1,0,0,1,0,0|1,0,1]=4 382 B7R1.1 OCC1CCNC1 NO16764 [1,0,0,1,0,0|1,0,1]=4 383 B7R1.1 OCC1CCNC1 NO18341 [1,0,0,1,0,0|1,0,1]=4 384 B7R1.1 OC[C@@H]1CCCN1 NO22640 [1,0,0,1,0,0|1,0,1]=4 385 B7R1.1 OC[C@@H]1CCNC1 DY115660 [1,0,0,1,0,0|1,0,1]=4 386 B7R1.1 OC[C@H]1CCCN1 NO17003 [1,0,0,1,0,0|1,0,1]=4 387 B7R1.1 OC[C@H]1CCCO1 DY542355 [1,0,0,1,0,0|1,0,1]=4 388 B7R1.4 CC1CCCC1O DY757267 [1,0,0,1,0,0|0,0,1]=3 389 B7R1.4 CC1CCOC1=O DY759320 [1,0,0,1,0,0|1,0,0]=3 390 B7R1.4 CC1OCCC1=O NO14135 [1,0,0,1,0,0|1,0,0]=3 391 B7R1.4 C[C@@H]1CCNC1=O DY546075 [1,0,0,1,0,0|1,0,0]=3 392 B7R1.4 C[C@H]1CCNC1=O DY560337 [1,0,0,1,0,0|1,0,0]=3 393 B7R1.4 NC1CCCC1O NO19404 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.4 N[C@@H]1CCC[C@@H]1O NO18884 [1,0,0,1,0,0|1,0,1]=4 395 B7R1.4 N[C@@H]1CCC[C@H]1O DY567117 [1,0,0,1,0,0|1,0,1]=4 396 B7R1.4 N[C@@H]1CCOC1=O NO18578 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.4 N[C@H]1CCC[C@@H]1O NO15594 [1,0,0,1,0,0|1,0,1]=4 398 B7R1.4 N[C@H]1CCC[C@H]1O NO11147 [1,0,0,1,0,0|1,0,1]=4 399 B7R1.4 N[C@H]1CCOC1=O DY541269 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.4 O=C1CCCC1Cl DY567621 [1,0,0,1,0,0|1,0,0]=3 401 B7R1.4 O=C1NCCC1O DY444274 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.4 O=C1NCC[C@@H]1O NO19486 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.4 O=C1NCC[C@H]1O DY115910 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.4 O[C@@H]1CCC[C@H]1F DY518337 [1,0,0,1,0,0|1,0,1]=4 405 B7R1.4 O[C@@H]1CCC[C@H]1O DY557241 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.6 C=CCC1CNC1 DY586612 [1,0,0,1,0,0|2,0,0]=4 407 B7R1.6 OCCC1CCO1 DY551169 [1,0,0,1,0,0|1,0,1]=4 408 B7R1.9 NCC1CC1CO DY528789 [1,0,0,1,0,0|1,0,1]=4 409 B7R1.9 OC[C@H]1C[C@H]1CO DY543213 [1,0,0,1,0,0|1,0,1]=4 410 B7R1.24 C1CNCCOC1 NO17007 [1,0,0,1,0,0|1,0,1]=4 411 B9R1.7 CCC[C@H]1COC(=O)C1 DY426027 [0,1,0,1,0,0|0,0,0]=2 412 B9R1.7 NCCC1CCC(=O)N1 DY667478 [0,1,0,1,0,0|1,0,0]=3 413 B9R1.13 CC(=O)NC1CCCC1 DY544479 [0,1,0,1,0,0|1,0,0]=3 414 B9R1.13 CC(=O)N[C@@H]1CCNC1 DY517617 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.13 N=C(N)NC1CCCC1 DY585755 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.13 NC(=O)CC1CCCN1 DY586075 [0,1,0,1,0,0|1,0,0]=3 417 B9R1.13 O=C(Cl)OC1CCCC1 NO11187 [0,1,0,1,0,0|1,0,0]=3 418 B9R1.13 O=C(O)CC1CCOC1 NO20367 [0,1,0,1,0,0|0,0,0]=2 419 B9R1.22 O=C1C[C@@H](O)[C@@H](CBr)O1 DY742837 [0,1,0,1,0,0|1,0,0]=3 420 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 DY549897 [0,1,0,1,0,0|1,0,0]=3 421 B9R1.34 CC1CC(=O)CC(=O)C1 NO19597 [0,1,0,1,0,0|1,0,1]=4 422 B9R1.34 CC1CC(=O)CC(C)O1 DY425912 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.34 CC1CC(O)CC(C)O1 DY586419 [0,1,0,1,0,0|1,0,1]=4 424 B9R1.34 C[C@H]1C[C@H](O)CC(=O)N1 DY586077 [0,1,0,1,0,0|1,0,0]=3 425 B9R1.41 CN1CCC[C@H]1C(=O)O NO11794 [0,1,0,1,0,0|0,0,0]=2 426 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O DY554385 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.41 NC1=C(C(=O)O)CCC1 DY571317 [0,1,0,1,0,0|0,0,2]=4 428 B9R1.41 NC1CCCC1C(=O)O DY585767 [0,1,0,1,0,0|0,0,0]=2 429 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O DY550977 [0,1,0,1,0,0|0,0,0]=2 430 B9R1.41 O=C(O)C1COCC1F DY584206 [0,1,0,1,0,0|1,0,0]=3 431 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O DY585907 [0,1,0,1,0,0|1,0,0]=3 432 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F DY586005 [0,1,0,1,0,0|1,0,0]=3 433 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F DY545055 [0,1,0,1,0,0|1,0,0]=3 434 B9R1.48 NC1CCCNC(=O)C1 DY743197 [0,1,0,1,0,0|1,0,0]=3 435 B9R1.48 O=C1CCCCC(=O)C1 NO20375 [0,1,0,1,0,0|1,0,1]=4 436 B9R1.48 O=C1CCCCC(=S)N1 DY568851 [0,1,0,1,0,0|1,0,1]=4 437 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 DY103481 [0,1,0,1,0,0|0,0,0]=2 438 B9R1.59 COC[C@H]1C[C@@H]1C(=O)O DY586272 [0,1,0,1,0,0|0,0,0]=2 439 B9R1.66 CC1(C)CC(=O)CCO1 NO17870 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.66 CC1(C)CCCC(=O)C1 DY10482 [0,1,0,1,0,0|1,0,0]=3 441 B9R1.171 CC1(CC(=O)O)COC1 DY580893 [0,1,0,1,0,0|1,0,0]=3 442 B9R1.171 NC1(CC(=O)O)COC1 DY520395 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.1 CNC1CCC(=O)CC1 NO14610 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.1 COC1CCC(=O)CC1 NO14437 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.2 O=C1CNC[C@@H](CO)N1 DY586385 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.2 O=C1COCC(CO)N1 NO17255 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.3 CN1CCC[C@@H](O)C1=O DY586206 [0,1,0,1,0,0|1,0,1]=4 448 B9R1.5 NC1CCCCNC1=O NO15569 [0,1,0,1,0,0|1,0,0]=3 449 B9R1.5 NC1CCCCNC1=O NO15816 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.5 N[C@H]1CCCCNC1=O DY545019 [0,1,0,1,0,0|1,0,0]=3 451 B9R1.5 O=C1NCCCCC1Br DY550035 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.11 COC(=O)C1=CCCC1 NO18911 [0,1,0,1,0,0|0,0,2]=4 453 B9R1.11 COC(=O)C1CCCN1 NO11440 [0,1,0,1,0,0|1,0,0]=3 454 B9R1.11 COC(=O)[C@@H]1CCCN1 NO18447 [0,1,0,1,0,0|1,0,0]=3 455 B9R1.11 COC(=O)[C@@H]1CCCO1 DY576465 [0,1,0,1,0,0|1,0,0]=3 456 B9R1.11 COC(=O)[C@@H]1CSCN1 DY565929 [0,1,0,1,0,0|2,0,0]=4 457 B9R1.11 COC(=O)[C@H]1CCNC1 DY103933 [0,1,0,1,0,0|1,0,0]=3 458 B9R1.11 O=C(CBr)C1CCCO1 DY585542 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.11 O=C(CCl)C1CCCC1 DY822737 [0,1,0,1,0,0|1,0,0]=3 460 B9R1.49 CN1CCCC(=O)CC1 NO13899 [0,1,0,1,0,0|2,0,0]=4 461 B9R1.49 O=C1CCCC(O)CN1 DY743185 [0,1,0,1,0,0|1,0,0]=3 462 B9R1.50 O=C1CCCCCCN1 NO21316 [0,1,0,1,0,0|1,0,0]=3 463 B9R1.79 COC(=O)NC1CNC1 DY720544 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.80 NNC(=O)CCN1CC1 DY743911 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N DY505035 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO DY573705 [0,1,0,1,0,0|1,0,0]=3 467 B9R1.118 CC1(C=O)CCCCC1 DY563445 [0,1,0,1,0,0|1,0,1]=4 468 B9R1.132 CCN1CC[C@@H](O)C1=O DY586205 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.132 CN1C(=O)CCC1CO DY102373 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.132 CN1C(=O)CC[C@@H]1CO DY738224 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.6 CC(=O)C1C=CCCC1 DY430670 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.6 CC(=O)C1CCCCN1 DY504771 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.6 CC(=O)C1CCOCC1 NO13055 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.6 CC(=O)N1CCNCC1 NO18512 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.6 CC(=O)N1CCOCC1 DY530841 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.6 CC(=O)[C@@H]1CCCOC1 DY585693 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.6 CC(=O)[C@H]1CCCOC1 DY585692 [0,1,0,1,0,0|1,0,0]=3 478 B9R1.6 CC(O)C1CCCOC1 DY585691 [0,1,0,1,0,0|1,0,1]=4 479 B9R1.6 C[C@H](O)C1CCCCC1 DY547839 [0,1,0,1,0,0|1,0,1]=4 480 B9R1.6 N=C(N)C1CCNCC1 DY775270 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.6 N=C(N)C1CCOCC1 DY554379 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.6 N=C(N)N1CCCCC1 DY585531 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.6 NC(=O)C1CCCNC1 NO18298 [0,1,0,1,0,0|1,0,0]=3 484 B9R1.6 NC(=O)C1CCCOC1 DY777466 [0,1,0,1,0,0|1,0,0]=3 485 B9R1.6 NC(=O)N1CCOCC1 DY732133 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.6 NC(=O)[C@@H]1CNCCN1 DY626185 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.6 O=C(O)C1=CCCCC1 DY564789 [0,1,0,1,0,0|0,0,1]=3 488 B9R1.6 O=C(O)C1=CCNCC1 DY567225 [0,1,0,1,0,0|0,0,2]=4 489 B9R1.6 O=C(O)C1=COCCC1 DY553647 [0,1,0,1,0,0|0,0,2]=4 490 B9R1.6 O=C(O)C1CC=CCC1 DY20590 [0,1,0,1,0,0|0,0,1]=3 491 B9R1.6 O=C(O)C1CCCCN1 NO18433 [0,1,0,1,0,0|0,0,0]=2 492 B9R1.6 O=C(O)C1CCCNC1 NO22806 [0,1,0,1,0,0|0,0,0]=2 493 B9R1.6 O=C(O)C1CCCOC1 NO18526 [0,1,0,1,0,0|0,0,0]=2 494 B9R1.6 O=C(O)C1CCNCC1 NO15208 [0,1,0,1,0,0|0,0,0]=2 495 B9R1.6 O=C(O)C1CCNCC1 NO22807 [0,1,0,1,0,0|0,0,0]=2 496 B9R1.6 O=C(O)C1CCOCC1 NO18392 [0,1,0,1,0,0|0,0,0]=2 497 B9R1.6 O=C(O)C1CCSCC1 DY578325 [0,1,0,1,0,0|0,0,0]=2 498 B9R1.6 O=C(O)C1CNCCN1 NO16953 [0,1,0,1,0,0|1,0,0]=3 499 B9R1.6 O=C(O)C1CNCCN1 NO22631 [0,1,0,1,0,0|1,0,0]=3 500 B9R1.6 O=C(O)C1CNCCO1 NO21703 [0,1,0,1,0,0|1,0,0]=3 501 B9R1.6 O=C(O)C1CNCCS1 DY738698 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.6 O=C(O)C1CNCCS1 DY789387 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.6 O=C(O)C1CSCCN1 NO19640 [0,1,0,1,0,0|1,0,0]=3 504 B9R1.6 O=C(O)N1CCNCC1 DY503859 [0,1,0,1,0,0|1,0,0]=3 505 B9R1.6 O=C(O)[C@@H]1CC=CCC1 DY20996 [0,1,0,1,0,0|0,0,1]=3 506 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO13937 [0,1,0,1,0,0|0,0,0]=2 507 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO18418 [0,1,0,1,0,0|0,0,0]=2 508 B9R1.6 O=C(O)[C@@H]1CCCNC1 NO12538 [0,1,0,1,0,0|0,0,0]=2 509 B9R1.6 O=C(O)[C@@H]1CCCNC1 NO22802 [0,1,0,1,0,0|0,0,0]=2 510 B9R1.6 O=C(O)[C@@H]1CCCNN1 DY625837 [0,1,0,1,0,0|1,0,0]=3 511 B9R1.6 O=C(O)[C@@H]1CNCCN1 NO17152 [0,1,0,1,0,0|1,0,0]=3 512 B9R1.6 O=C(O)[C@@H]1COCCN1 NO16814 [0,1,0,1,0,0|1,0,0]=3 513 B9R1.6 O=C(O)[C@@H]1COCCN1 NO17811 [0,1,0,1,0,0|1,0,0]=3 514 B9R1.6 O=C(O)[C@@H]1CSCCN1 DY565755 [0,1,0,1,0,0|1,0,0]=3 515 B9R1.6 O=C(O)[C@H]1CC=CCC1 DY461064 [0,1,0,1,0,0|0,0,1]=3 516 B9R1.6 O=C(O)[C@H]1CCCCN1 NO18416 [0,1,0,1,0,0|0,0,0]=2 517 B9R1.6 O=[N+]([O-])C1CCCCC1 DY507047 [0,1,0,1,0,0|1,0,1]=4 518 B9R1.6 OB(O)C1CCCCC1 NO18573 [0,1,0,1,0,0|1,0,1]=4 519 B9R1.40 CC1CNCCC1(C)O DY636388 [0,1,0,1,0,0|1,0,1]=4 520 B9R1.40 C[C@H]1CCNC[C@]1(C)O DY643568 [0,1,0,1,0,0|1,0,1]=4 521 B9R1.84 O=C(O)\C=C\C1CCC1 DY519489 [0,1,0,1,0,0|0,0,1]=3 522 B9R1.84 O=[N+]([O-])CCC1CCC1 DY790155 [0,1,0,1,0,0|1,0,1]=4 523 B9R1.148 O=S1(=O)CCCNCC1 DY100270 [0,1,0,1,0,0|1,0,1]=4 524 B9R1.23 CN1C[C@H](CN)OC1=O DY774135 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.35 CC(=O)N1CCC(N)C1 DY665434 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.35 CC(C)C1CNC(=O)C1 DY578559 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.35 CC(C)[C@H]1COC(=O)N1 NO22803 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.35 CC1CN[C@H](C(=O)O)C1 DY586580 [0,1,0,1,0,0|1,0,0]=3 529 B9R1.35 CN1CCC(C(=O)O)C1 DY444131 [0,1,0,1,0,0|1,0,0]=3 530 B9R1.35 CN1CCC(C(=O)O)C1 NO18297 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586577 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586579 [0,1,0,1,0,0|1,0,0]=3 533 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 DY586578 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.35 NC(=O)N1CCC(N)C1 DY585747 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 DY718227 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.35 NC1CCC(C(=O)O)C1 NO16161 [0,1,0,1,0,0|0,0,0]=2 537 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 DY529041 [0,1,0,1,0,0|0,0,0]=2 538 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 DY628863 [0,1,0,1,0,0|0,0,0]=2 539 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 NO14934 [0,1,0,1,0,0|0,0,0]=2 540 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 DY627831 [0,1,0,1,0,0|0,0,2]=4 541 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 NO17903 [0,1,0,1,0,0|0,0,0]=2 542 B9R1.35 O=C(O)[C@@H]1C[C@@H](I)CN1 DY515055 [0,1,0,1,0,0|1,0,0]=3 543 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 NO18304 [0,1,0,1,0,0|1,0,0]=3 544 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 DY620370 [0,1,0,1,0,0|0,0,0]=2 545 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 DY526479 [0,1,0,1,0,0|1,0,0]=3 546 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 NO19994 [0,1,0,1,0,0|1,0,0]=3 547 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 NO22793 [0,1,0,1,0,0|1,0,0]=3 548 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 NO12039 [0,1,0,1,0,0|1,0,0]=3 549 B9R1.35 O=C1CCC(C(=O)O)C1 NO19439 [0,1,0,1,0,0|0,0,1]=3 550 B9R1.35 O=C1CCC(C(=O)O)N1 DY525489 [0,1,0,1,0,0|1,0,1]=4 551 B9R1.35 O=C1CCC(C(=O)O)O1 DY759482 [0,1,0,1,0,0|1,0,1]=4 552 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 DY625441 [0,1,0,1,0,0|1,0,1]=4 553 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 DY438135 [0,1,0,1,0,0|1,0,1]=4 554 B9R1.35 O=C1CC[C@H](C(=O)O)N1 NO22212 [0,1,0,1,0,0|1,0,1]=4 555 B9R1.35 O=C1CNC(C(=O)O)C1 DY583413 [0,1,0,1,0,0|1,0,1]=4 556 B9R1.35 O=C1C[C@H](C(=O)O)CN1 DY547731 [0,1,0,1,0,0|1,0,1]=4 557 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O DY528279 [0,1,0,1,0,0|0,0,2]=4 558 B9R1.95 COC1CC(C(=O)O)C1 DY556227 [0,1,0,1,0,0|1,0,0]=3 559 B9R1.95 NC[C@H]1C[C@H](C(=O)O)C1 DY532413 [0,1,0,1,0,0|1,0,0]=3 560 B9R1.95 O=C(O)C1CC(CO)C1 DY103733 [0,1,0,1,0,0|1,0,0]=3 561 B9R1.110 CC(C(=O)O)C1CCC1 DY586363 [0,1,0,1,0,0|0,0,0]=2 562 B9R1.110 CC(C(=O)O)N1CCC1 DY607944 [0,1,0,1,0,0|1,0,0]=3 563 B9R1.110 N[C@H](C(=O)O)C1CCC1 DY444508 [0,1,0,1,0,0|0,0,0]=2 564 B9R1.112 C[C@H](CC1CC1)C(=O)O DY586262 [0,1,0,1,0,0|0,0,0]=2 565 B9R1.112 NC(CC1CC1)C(=O)O DY628713 [0,1,0,1,0,0|0,0,0]=2 566 B9R1.112 N[C@H](CC1CC1)C(=O)O NO18682 [0,1,0,1,0,0|0,0,0]=2 567 B9R1.163 C[C@@]1(C(=O)O)CCCN1 DY10549 [0,1,0,1,0,0|1,0,0]=3 568 B9R1.163 C[C@]1(C(=O)O)CCCO1 DY563493 [0,1,0,1,0,0|1,0,0]=3 569 B9R1.163 NC(=O)C1(N)CCCC1 NO18509 [0,1,0,1,0,0|1,0,0]=3 570 B9R1.163 NC1(C(=O)O)CCCC1 NO18420 [0,1,0,1,0,0|0,0,0]=2 571 B9R1.163 NC1(C(=O)O)CCOC1 DY20730 [0,1,0,1,0,0|1,0,0]=3 572 B9R1.163 N[C@]1(C(=O)O)CCNC1 DY566973 [0,1,0,1,0,0|1,0,0]=3 573 B9R1.163 O=C(O)C1(O)CCCC1 NO20733 [0,1,0,1,0,0|0,0,0]=2 574 B9R1.10 NC1CCS(=O)(=O)CC1 NO22595 [0,1,0,1,0,0|1,0,1]=4 575 B9R1.161 CC(C)[C@H]1C[C@@H]1C(=O)O DY586271 [0,1,0,1,0,0|0,0,0]=2 576 B9R1.170 O=C(O)CC1CC1(F)F DY513207 [0,1,0,1,0,0|1,0,0]=3 577 B9R2.39 O=C1CC2CC1CO2 DY506766 [0,0,0,2,0,0|2,0,0]=4 578 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 DY620394 [0,0,0,2,0,0|1,0,0]=3 579 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 DY556761 [0,0,0,2,0,0|1,0,1]=4 580 B9R2.139 O=C1NC2(CC2)CO1 DY575961 [0,0,0,2,0,0|2,0,0]=4 581 B9R2.25 O=C1OC(=O)C2CC12 NO22387 [0,0,0,2,0,0|1,0,1]=4 582 B9R2.138 O=C1CC2(CCC2)C1 DY103861 [0,0,0,2,0,0|1,0,0]=3