0 B7R0.6 C=C(Br)CCC(O)=O Amb18648212 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 C=C(Cl)CCC(O)=O Amb18642971 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.6 C=C(F)CCC(O)=O Amb25141041 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 CC(=C)CCC(O)=O Amb18641793 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.6 CC(=C)\C=C\B(O)O Amb25348319 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 CC(=C)\C=C\C(=O)O Amb17593153 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.6 CC(=C)\C=C\C(N)=O Amb25259797 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 CC(=CCC(=O)C)C Amb17593170 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.6 CC(=N)SCC(O)=O Amb25704672 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.6 CC(=O)C=CC(C)=O Amb22346013 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.6 CC(=O)CC=C(Cl)Cl Amb25745505 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 CC(=O)CCC(=O)Cl Amb17142859 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.6 CC(=O)CCC(=O)N Amb17142854 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.6 CC(=O)CCC([O-])=O Amb22350071 [0,0,0,0,0,0|1,0,3]=4 14 B7R0.6 CC(=O)CCP(O)=O Amb24647699 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.6 CC(=O)CNC(N)=O Amb24697691 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.6 CC(=O)NCC(=O)N Amb17231824 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.6 CC(=O)OC=C(C)N Amb24573507 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.6 CC(=O)OCC(=O)Br Amb25032214 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.6 CC(=O)OOC(C)=O Amb22230214 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.6 CC(=O)SCC(=O)Cl Amb24451416 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.6 CC(=O)SCC(=O)O Amb17607669 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.6 CC(=O)SCC(C)=O Amb25131248 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.6 CC(=O)SNC(N)=O Amb25843227 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.6 CC(=O)SSC(C)=O Amb24099405 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.6 CC(=O)\C=C/C(C)=O Amb24551133 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.6 CC(=O)\C=C/C(O)=O Amb24662475 [0,0,0,0,0,0|1,0,0]=1 31 B7R0.6 CC(=O)\C=C\C(=O)Cl Amb24643241 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.6 CC(=O)\C=C\C(C)=C Amb25232835 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.6 CC(=O)\C=C\C(N)=O Amb24516266 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.6 CC(=O)\C=C\C(O)O Amb25663062 [0,0,0,0,0,0|1,0,2]=3 35 B7R0.6 CC(=S)NCC(O)=O Amb24325138 [0,0,0,0,0,0|2,1,1]=4 36 B7R0.6 CC(Br)\C=C\C(=O)Cl Amb24602252 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.6 CC(Br)\C=C\C(C)=O Amb25334067 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.6 CC(Br)\C=C\C(O)=O Amb18648210 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.6 CC(C)=C=CC(C)=O Amb25189061 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.6 CC(C)=CC=C(Cl)Cl Amb20620965 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.6 CC(C)=CCC([O-])=O Amb22491058 [0,0,0,0,0,0|2,0,2]=4 42 B7R0.6 CC(C)=COC(=O)Cl Amb25174283 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.6 CC(C)=COC(C)=O Amb25349708 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.6 CC(C)=NCC(O)=O Amb24481383 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.6 CC(C)N=CC(O)=O Amb25243501 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.6 CC(C)\C=C/C(O)=O Amb24481395 [0,0,0,0,0,0|2,0,1]=3 47 B7R0.6 CC(C)\C=C\C(=O)Cl Amb24481563 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.6 CC(C)\C=C\C(N)=O Amb24473783 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.6 CC(Cl)=C=CC(O)=O Amb25321565 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.6 CC(Cl)=CCC(N)=O Amb25324975 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.6 CC(Cl)\C=C\C(=O)Cl Amb24579654 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.6 CC(Cl)\C=C\C(C)=O Amb25782801 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.6 CC(N)\C=C\C(O)=O Amb18641827 [0,0,0,0,0,0|2,0,1]=3 54 B7R0.6 CC(O)=CSC(N)=N Amb24516373 [0,0,0,0,0,0|4,0,0]=4 55 B7R0.6 CC(O)=NNC(N)=O Amb17777869 [0,0,0,0,0,0|4,0,0]=4 56 B7R0.6 CC(O)C=CC(C)O Amb22229318 [0,0,0,0,0,0|2,0,2]=4 57 B7R0.6 CC(O)CCC(O)=O Amb18294804 [0,0,0,0,0,0|1,0,3]=4 58 B7R0.6 CC(O)NCC(O)=O Amb25141558 [0,0,0,0,0,0|2,0,2]=4 59 B7R0.6 CC(O)\C=C\C(C)=C Amb25317482 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.6 CC(O)\C=C\C(C)=O Amb25334941 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.6 CC(O)\C=C\C(C)O Amb22346175 [0,0,0,0,0,0|2,0,2]=4 62 B7R0.6 CC(O)\C=C\C(N)=O Amb24597646 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.6 CC(O)\C=C\C(O)=O Amb18641876 [0,0,0,0,0,0|1,0,1]=2 64 B7R0.6 CC(S)\C=C\C(O)=O Amb18124362 [0,0,0,0,0,0|1,1,1]=3 65 B7R0.6 CN(C)\C=C\C(N)=O Amb24581127 [0,0,0,0,0,0|4,0,0]=4 66 B7R0.6 CN(C)\C=C\C(O)=O Amb25273624 [0,0,0,0,0,0|3,0,0]=3 67 B7R0.6 CS(=O)CCC(O)=O Amb18523762 [0,0,0,0,0,0|2,0,2]=4 68 B7R0.6 CS(=O)NCC(O)=O Amb25237322 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.6 CS(=O)\C=C\C(O)=O Amb18642965 [0,0,0,0,0,0|2,0,0]=2 70 B7R0.6 C[C@@H](COC(=O)O)O Amb16232417 [0,0,0,0,0,0|2,0,2]=4 71 B7R0.6 C[C@@H](O)C#CC(O)=O Amb24334413 [0,0,0,0,0,0|1,0,3]=4 72 B7R0.6 C[C@@H](O)\C=C\C(C)O Amb24386854 [0,0,0,0,0,0|2,0,2]=4 73 B7R0.6 C[C@@H](O)\C=C\[C@@H](C)O Amb24647958 [0,0,0,0,0,0|2,0,2]=4 74 B7R0.6 C[C@H](O)\C=C\[C@@H](C)O Amb24606164 [0,0,0,0,0,0|2,0,2]=4 75 B7R0.6 C\C(\O)=C\SC(N)=N Amb24100290 [0,0,0,0,0,0|4,0,0]=4 76 B7R0.6 FC(F)=CC=C(F)F Amb25781047 [0,0,0,0,0,0|4,0,0]=4 77 B7R0.6 NC(=N)CCC(O)=O Amb25736788 [0,0,0,0,0,0|2,0,2]=4 78 B7R0.6 NC(=N)NCC(=O)O Amb16231404 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.6 NC(=N)N[13CH2][13C](=O)O Amb17614848 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.6 NC(=N)OCC(O)=O Amb24394884 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.6 NC(=N)SCC(O)=O Amb21955777 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.6 NC(=O)CCC(=O)N Amb1353209 [0,0,0,0,0,0|2,0,2]=4 83 B7R0.6 NC(=O)CCP(O)=O Amb25840251 [0,0,0,0,0,0|2,0,2]=4 84 B7R0.6 NC(=O)CNC(O)=O Amb24705097 [0,0,0,0,0,0|2,0,1]=3 85 B7R0.6 NC(=O)NCC(=O)N Amb1136421 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.6 NC(=O)NCC(=O)O Amb16205895 [0,0,0,0,0,0|2,0,1]=3 87 B7R0.6 NC(=O)OCC(=O)Cl Amb25259155 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.6 NC(=O)OCC(N)=O Amb25724808 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.6 NC(=O)OCC(O)=O Amb25777061 [0,0,0,0,0,0|2,0,1]=3 90 B7R0.6 NC(=O)SCC(N)=O Amb24359876 [0,0,0,0,0,0|3,0,1]=4 91 B7R0.6 NC(=O)SCC(O)=O Amb24640543 [0,0,0,0,0,0|2,0,1]=3 92 B7R0.6 NC(=O)\C=C\C(Cl)Cl Amb24726367 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.6 NC(=O)\C=C\[N+]([O-])=O Amb25253537 [0,0,0,0,0,0|2,0,1]=3 94 B7R0.6 NC(=S)CCC(O)=O Amb18102382 [0,0,0,0,0,0|1,1,2]=4 95 B7R0.6 NC(=S)OCC(O)=O Amb25340403 [0,0,0,0,0,0|2,1,1]=4 96 B7R0.6 NC(=S)SCC(O)=O Amb25108057 [0,0,0,0,0,0|2,1,1]=4 97 B7R0.6 NC(=S)\C=C\C(O)=O Amb25707640 [0,0,0,0,0,0|1,1,0]=2 98 B7R0.6 O=C(Cl)\C=C\C(Cl)Cl Amb25178985 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.6 O=C(F)CCC(=O)F Amb24483270 [0,0,0,0,0,0|2,0,2]=4 100 B7R0.6 O=C([OH2+])[13C]#CC(=O)[OH2+] Amb22336968 [0,0,0,0,0,0|0,0,4]=4 101 B7R0.6 OB(O)CCC(O)=O Amb24640288 [0,0,0,0,0,0|1,0,3]=4 102 B7R0.6 OC(=O)C=CC(O)=O Amb22487311 [0,0,0,0,0,0|0,0,0]=0 103 B7R0.6 OC(=O)C=CC(O)=O Amb22487315 [0,0,0,0,0,0|0,0,0]=0 104 B7R0.6 OC(=O)CC=C(Cl)Cl Amb17593875 [0,0,0,0,0,0|2,0,1]=3 105 B7R0.6 OC(=O)CC=C(F)F Amb25127059 [0,0,0,0,0,0|2,0,1]=3 106 B7R0.6 OC(=O)CCC(=O)Cl Amb17593468 [0,0,0,0,0,0|1,0,2]=3 107 B7R0.6 OC(=O)CCC(O)=O Amb22168124 [0,0,0,0,0,0|0,0,2]=2 108 B7R0.6 OC(=O)CCC(O)=O Amb22349196 [0,0,0,0,0,0|0,0,2]=2 109 B7R0.6 OC(=O)CCC(O)=O Amb22353352 [0,0,0,0,0,0|0,0,2]=2 110 B7R0.6 OC(=O)CCC(O)=O Amb22360649 [0,0,0,0,0,0|0,0,2]=2 111 B7R0.6 OC(=O)CNC(=O)Cl Amb25277149 [0,0,0,0,0,0|2,0,1]=3 112 B7R0.6 OC(=O)CNC(S)=S Amb24739663 [0,0,0,0,0,0|1,2,1]=4 113 B7R0.6 OC(=O)COC(S)=S Amb24739791 [0,0,0,0,0,0|1,2,1]=4 114 B7R0.6 OC(=O)COS(=O)=O Amb25064798 [0,0,0,0,0,0|2,0,2]=4 115 B7R0.6 OC(=O)CSC(S)=S Amb24608205 [0,0,0,0,0,0|1,2,1]=4 116 B7R0.6 OC(=O)C[13CH2][13C](O)=O Amb22353421 [0,0,0,0,0,0|0,0,2]=2 117 B7R0.6 OC(=O)C\C=C(\F)/Cl Amb24599232 [0,0,0,0,0,0|2,0,1]=3 118 B7R0.6 OC(=O)SCC(O)=O Amb24699018 [0,0,0,0,0,0|1,0,1]=2 119 B7R0.6 OC(=O)[13CH2][13CH2]C(O)=O Amb22338081 [0,0,0,0,0,0|0,0,2]=2 120 B7R0.6 OC(=O)[14CH2][14CH2]C(O)=O Amb22337597 [0,0,0,0,0,0|0,0,2]=2 121 B7R0.6 OC(=O)\C=C/C(O)=O Amb22274309 [0,0,0,0,0,0|0,0,0]=0 122 B7R0.6 OC(=O)\C=C/C(O)=O Amb22350132 [0,0,0,0,0,0|0,0,0]=0 123 B7R0.6 OC(=O)\C=C\C(=O)O Amb10072561 [0,0,0,0,0,0|0,0,0]=0 124 B7R0.6 OC(=O)\C=C\C(F)F Amb24340205 [0,0,0,0,0,0|2,0,1]=3 125 B7R0.6 OC(=O)\C=C\C(O)=O Amb22336584 [0,0,0,0,0,0|0,0,0]=0 126 B7R0.6 OC(=O)\C=C\C(O)=O Amb22352586 [0,0,0,0,0,0|0,0,0]=0 127 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353441 [0,0,0,0,0,0|0,0,0]=0 128 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353537 [0,0,0,0,0,0|0,0,0]=0 129 B7R0.6 OC(=O)\C=C\C(O)=O Amb22360655 [0,0,0,0,0,0|0,0,0]=0 130 B7R0.6 OC(=O)\C=C\P(O)=O Amb24622481 [0,0,0,0,0,0|1,0,0]=1 131 B7R0.6 OC(=O)\[13CH]=[13CH]\C(O)=O Amb22363150 [0,0,0,0,0,0|0,0,0]=0 132 B7R0.6 OC(=O)\[14CH]=[14CH]/C(O)=O Amb22352435 [0,0,0,0,0,0|0,0,0]=0 133 B7R0.6 OC(=S)CCC(O)=O Amb24586272 [0,0,0,0,0,0|0,1,2]=3 134 B7R0.6 OC(O)CCC(O)=O Amb25762802 [0,0,0,0,0,0|0,0,4]=4 135 B7R0.6 OC(O)\C=C\C(O)O Amb25296170 [0,0,0,0,0,0|0,0,4]=4 136 B7R0.6 O[13C](=O)CC[13C](O)=O Amb22056173 [0,0,0,0,0,0|0,0,2]=2 137 B7R0.6 O[13C](=O)[13CH2][13CH2][13C](O)=O Amb22056172 [0,0,0,0,0,0|0,0,2]=2 138 B7R0.6 O[13C](=O)\[13CH]=[13CH]\[13C](O)=O Amb22055283 [0,0,0,0,0,0|0,0,0]=0 139 B7R0.6 O[14C](=O)CC[14C](O)=O Amb22352661 [0,0,0,0,0,0|0,0,2]=2 140 B7R0.6 [13CH3][13C](=O)[13CH2]CC(O)=O Amb22056002 [0,0,0,0,0,0|1,0,2]=3 141 B7R0.6 [15NH2][13C](=O)NN[13C](=O)[15NH2] Amb17615003 [0,0,0,0,0,0|4,0,0]=4 142 B7R0.6 [2H]C([2H])=CC=C([2H])[2H] Amb22729224 [0,0,0,0,0,0|4,0,0]=4 143 B7R0.6 [O-]C(=O)/C=C/C([O-])=O Amb17942943 [0,0,0,0,0,0|0,0,2]=2 144 B7R0.6 [O-]C(=O)C#CC(O)=O Amb19748298 [0,0,0,0,0,0|0,0,3]=3 145 B7R0.6 [O-]C(=O)CCC(O)=O Amb22730137 [0,0,0,0,0,0|0,0,3]=3 146 B7R0.6 [O-]C(=O)CCC(O)=O Amb22733837 [0,0,0,0,0,0|0,0,3]=3 147 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22230230 [0,0,0,0,0,0|0,0,4]=4 148 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22330623 [0,0,0,0,0,0|0,0,4]=4 149 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22360668 [0,0,0,0,0,0|0,0,4]=4 150 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22731284 [0,0,0,0,0,0|0,0,4]=4 151 B7R0.6 [O-]C(=O)NCC([O-])=O Amb22731445 [0,0,0,0,0,0|1,0,3]=4 152 B7R0.6 [O-]C(=O)\C=C/C(O)=O Amb22168115 [0,0,0,0,0,0|0,0,1]=1 153 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb22731335 [0,0,0,0,0,0|0,0,2]=2 154 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb22733809 [0,0,0,0,0,0|0,0,2]=2 155 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb24325338 [0,0,0,0,0,0|0,0,2]=2 156 B7R0.6 [O-]C(=O)\C=C\C(O)=O Amb22043387 [0,0,0,0,0,0|0,0,1]=1 157 B7R0.6 [O-]C(=O)\C=C\C(O)=O Amb22734231 [0,0,0,0,0,0|0,0,1]=1 158 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb20246799 [0,0,0,0,0,0|0,0,2]=2 159 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22002520 [0,0,0,0,0,0|0,0,2]=2 160 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22043369 [0,0,0,0,0,0|0,0,2]=2 161 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22730640 [0,0,0,0,0,0|0,0,2]=2 162 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22732045 [0,0,0,0,0,0|0,0,2]=2 163 B7R0.6 [O-][N+](=O)CCC(=O)O Amb10843224 [0,0,0,0,0,0|1,0,3]=4 164 B7R0.6 [O-][N+](=O)\C=C\C(O)=O Amb25736416 [0,0,0,0,0,0|1,0,1]=2 165 B6R0.4 C#C\C=C\C(=O)O Amb17593056 [1,0,0,0,0,0|1,0,1]=3 166 B6R0.4 C=C(Cl)\C=C\C=O Amb18641916 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.4 C=CC#CC(O)=O Amb24479724 [1,0,0,0,0,0|1,0,2]=4 168 B6R0.4 C=C\C=C\C(N)=O Amb25222345 [1,0,0,0,0,0|2,0,0]=3 169 B6R0.4 CC(=C)\C=C/C=O Amb25785232 [1,0,0,0,0,0|2,0,0]=3 170 B6R0.4 CC(=C)\C=C\C=O Amb18120435 [1,0,0,0,0,0|2,0,0]=3 171 B6R0.4 CC(=O)C=C=CBr Amb25772659 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.4 CC(=O)CC=NO Amb25024487 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.4 CC(=O)CCC=O Amb18639597 [1,0,0,0,0,0|1,0,2]=4 174 B6R0.4 CC(=O)CNC=O Amb23442787 [1,0,0,0,0,0|2,0,1]=4 175 B6R0.4 CC(=O)COC=O Amb24736861 [1,0,0,0,0,0|2,0,1]=4 176 B6R0.4 CC(=O)C\C=C/Cl Amb25276014 [1,0,0,0,0,0|2,0,1]=4 177 B6R0.4 CC(=O)C\C=C\Cl Amb25094325 [1,0,0,0,0,0|2,0,1]=4 178 B6R0.4 CC(=O)C\C=N/O Amb25066399 [1,0,0,0,0,0|2,0,1]=4 179 B6R0.4 CC(=O)N=CCO Amb24420730 [1,0,0,0,0,0|2,0,1]=4 180 B6R0.4 CC(=O)NCC=O Amb25757509 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.4 CC(=O)NNC=O Amb25663184 [1,0,0,0,0,0|3,0,0]=4 182 B6R0.4 CC(=O)O\C=C/Cl Amb25190035 [1,0,0,0,0,0|3,0,0]=4 183 B6R0.4 CC(=O)\C=C/C#C Amb24584422 [1,0,0,0,0,0|2,0,1]=4 184 B6R0.4 CC(=O)\C=C\C#C Amb25735826 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.4 CC(=O)\C=C\C#N Amb18638658 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.4 CC(=O)\C=C\C=N Amb24722970 [1,0,0,0,0,0|2,0,0]=3 187 B6R0.4 CC(=O)\C=C\C=O Amb18120765 [1,0,0,0,0,0|1,0,0]=2 188 B6R0.4 CC(=O)\C=C\CCl Amb25378305 [1,0,0,0,0,0|2,0,1]=4 189 B6R0.4 CC(=O)\C=C\CO Amb24414835 [1,0,0,0,0,0|1,0,1]=3 190 B6R0.4 CC(C)=C=CC=O Amb25082892 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.4 CC(C)=CC=CO Amb25746627 [1,0,0,0,0,0|2,0,0]=3 192 B6R0.4 CC(C)=CCC=O Amb18120881 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.4 CC(C)=C\C=C/Br Amb25147574 [1,0,0,0,0,0|3,0,0]=4 194 B6R0.4 CC(C)\C=C/C=O Amb25313098 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.4 CC(O)\C=C\C=O Amb18639615 [1,0,0,0,0,0|1,0,1]=3 196 B6R0.4 CC(O)\C=C\CO Amb24671370 [1,0,0,0,0,0|1,0,2]=4 197 B6R0.4 CC=C=CC(=O)O Amb17593065 [1,0,0,0,0,0|1,0,1]=3 198 B6R0.4 CCC=CC(C)=O Amb22731698 [1,0,0,0,0,0|2,0,1]=4 199 B6R0.4 CC\C=C/C(O)=O Amb22230421 [1,0,0,0,0,0|1,0,1]=3 200 B6R0.4 CC\C=C\C(N)=O Amb25770876 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.4 CN\C=C/C(C)=O Amb24646447 [1,0,0,0,0,0|3,0,0]=4 202 B6R0.4 CN\C=C\C(=O)C Amb17593076 [1,0,0,0,0,0|3,0,0]=4 203 B6R0.4 CN\C=C\C(N)=O Amb24621805 [1,0,0,0,0,0|3,0,0]=4 204 B6R0.4 CON=CC(O)=O Amb25292253 [1,0,0,0,0,0|3,0,0]=4 205 B6R0.4 CO\C=C\C(=O)Cl Amb25349516 [1,0,0,0,0,0|3,0,0]=4 206 B6R0.4 CO\C=C\C(O)=O Amb18121767 [1,0,0,0,0,0|2,0,0]=3 207 B6R0.4 CO\N=C\C(=O)O Amb10976081 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.4 CS(=O)\C=C\CO Amb25794648 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.4 CS\C=C\C(C)=O Amb25768455 [1,0,0,0,0,0|3,0,0]=4 210 B6R0.4 CS\C=C\C(N)=O Amb24507669 [1,0,0,0,0,0|3,0,0]=4 211 B6R0.4 CS\C=C\C(O)=O Amb18641964 [1,0,0,0,0,0|2,0,0]=3 212 B6R0.4 C[C@@H](O)\C=C\C=O Amb24404886 [1,0,0,0,0,0|1,0,1]=3 213 B6R0.4 C[C@@H](O)\C=C\CO Amb24632440 [1,0,0,0,0,0|1,0,2]=4 214 B6R0.4 C[C@H](O)\C=C\C=O Amb25704114 [1,0,0,0,0,0|1,0,1]=3 215 B6R0.4 C[C@H](O)\C=C\CO Amb24333195 [1,0,0,0,0,0|1,0,2]=4 216 B6R0.4 C[SiH](C)\C=C/C=O Amb24573956 [1,0,0,0,0,0|2,1,0]=4 217 B6R0.4 C\C(\Br)=C/CC=O Amb25811514 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.4 C\C=C/CC(C)=O Amb25723218 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.4 C\C=C/CC(O)=O Amb25692581 [1,0,0,0,0,0|1,0,1]=3 220 B6R0.4 C\C=C\CC(C)=O Amb24359011 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.4 C\C=C\NC(N)=O Amb25340023 [1,0,0,0,0,0|3,0,0]=4 222 B6R0.4 C\C=N\CC(O)=O Amb24618330 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.4 Cl\C=C\C=C(Cl)Cl Amb24373207 [1,0,0,0,0,0|3,0,0]=4 224 B6R0.4 FC(F)=CC=CBr Amb24646309 [1,0,0,0,0,0|3,0,0]=4 225 B6R0.4 FC(F)=C\C=C/Br Amb25334509 [1,0,0,0,0,0|3,0,0]=4 226 B6R0.4 N#C\C=C\C(O)=O Amb25853809 [1,0,0,0,0,0|1,0,1]=3 227 B6R0.4 N=CNCC(O)=O Amb24670244 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.4 NC(=N)N=CC=O Amb25252156 [1,0,0,0,0,0|3,0,0]=4 229 B6R0.4 NC(=O)CC=NO Amb24605273 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.4 NC(=O)CNC=O Amb25770889 [1,0,0,0,0,0|2,0,1]=4 231 B6R0.4 NC(=O)OCC=O Amb24446581 [1,0,0,0,0,0|2,0,1]=4 232 B6R0.4 NC(=O)\C=C\C#N Amb24560908 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.4 NC(=O)\C=C\C=O Amb24480849 [1,0,0,0,0,0|1,0,0]=2 234 B6R0.4 NC(=O)\C=C\CBr Amb25109131 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.4 NC(=O)\C=C\CCl Amb25328319 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.4 NC\C=C/C(O)=O Amb24117018 [1,0,0,0,0,0|1,0,1]=3 237 B6R0.4 NC\C=C/P(O)=O Amb22011758 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.4 NC\C=C\C(O)=O Amb18639655 [1,0,0,0,0,0|1,0,1]=3 239 B6R0.4 NC\C=C\C(O)=O Amb24325004 [1,0,0,0,0,0|1,0,1]=3 240 B6R0.4 NC\C=C\P(O)=O Amb25136979 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.4 NN\C=C\C(O)=O Amb25849332 [1,0,0,0,0,0|2,0,0]=3 242 B6R0.4 O=C(Cl)C\C=C\Cl Amb24531407 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.4 O=C(Cl)\C=C\CBr Amb25747116 [1,0,0,0,0,0|2,0,1]=4 244 B6R0.4 O=C(Cl)\C=C\CCl Amb24531479 [1,0,0,0,0,0|2,0,1]=4 245 B6R0.4 O=CCOC(=O)C Amb10070247 [1,0,0,0,0,0|2,0,1]=4 246 B6R0.4 O=CNCC(=O)O Amb1911508 [1,0,0,0,0,0|1,0,1]=3 247 B6R0.4 O=C\C=C\C(C)C Amb13777283 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.4 OB(O)\C=C\C=O Amb22899676 [1,0,0,0,0,0|1,0,1]=3 249 B6R0.4 OC(=O)CCC=O Amb17673897 [1,0,0,0,0,0|0,0,2]=3 250 B6R0.4 OC(=O)CSN=O Amb24368923 [1,0,0,0,0,0|2,0,1]=4 251 B6R0.4 OC(=O)C\C=C\Br Amb24511491 [1,0,0,0,0,0|1,0,1]=3 252 B6R0.4 OC(=O)C\C=C\Cl Amb25111871 [1,0,0,0,0,0|1,0,1]=3 253 B6R0.4 OC(=O)C\C=C\I Amb24507704 [1,0,0,0,0,0|1,0,1]=3 254 B6R0.4 OC(=O)\C=C/OI Amb24418427 [1,0,0,0,0,0|2,0,0]=3 255 B6R0.4 OC(=O)\C=C\CBr Amb18646194 [1,0,0,0,0,0|1,0,1]=3 256 B6R0.4 OC(=O)\C=C\CCl Amb23399655 [1,0,0,0,0,0|1,0,1]=3 257 B6R0.4 OC(=O)\C=C\CF Amb24117236 [1,0,0,0,0,0|1,0,1]=3 258 B6R0.4 OC(=O)\C=C\CI Amb25350297 [1,0,0,0,0,0|1,0,1]=3 259 B6R0.4 OC(=O)\C=C\CS Amb18285239 [1,0,0,0,0,0|0,1,1]=3 260 B6R0.4 OC(=O)\C=C\I=O Amb25075597 [1,0,0,0,0,0|1,0,0]=2 261 B6R0.4 OC(=O)\C=C\OI Amb24655000 [1,0,0,0,0,0|2,0,0]=3 262 B6R0.4 OCC#CC(O)=O Amb22002375 [1,0,0,0,0,0|0,0,3]=4 263 B6R0.4 OCCCC(=O)O Amb17615189 [1,0,0,0,0,0|0,0,3]=4 264 B6R0.4 OCCCC(O)=O Amb18640332 [1,0,0,0,0,0|0,0,3]=4 265 B6R0.4 OC\C=C\B(O)O Amb25354850 [1,0,0,0,0,0|1,0,2]=4 266 B6R0.4 ON=NCC(O)=O Amb25204101 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.4 ON\C=C\C(O)=O Amb25058383 [1,0,0,0,0,0|1,0,0]=2 268 B6R0.4 O[13CH2][13CH2][13CH2][13C](O)=O Amb19132555 [1,0,0,0,0,0|0,0,3]=4 269 B8R0.9 BC(=O)NCC(=O)OC Amb22343192 [0,1,0,0,0,0|2,0,1]=4 270 B8R0.9 BC(=O)NCC(=O)OC Amb25264831 [0,1,0,0,0,0|2,0,1]=4 271 B8R0.9 BOC(O)=CCC(O)=O Amb25179903 [0,1,0,0,0,0|0,0,2]=3 272 B8R0.9 C=C(Cl)\C=C\C(=O)C=C Amb25745801 [0,1,0,0,0,0|3,0,0]=4 273 B8R0.9 C=CC(=O)CCC(O)=O Amb22055999 [0,1,0,0,0,0|1,0,2]=4 274 B8R0.9 C=CC(N)\C=C\C(O)=O Amb18642503 [0,1,0,0,0,0|2,0,1]=4 275 B8R0.9 CC(=CCC(O)=O)C#N Amb25175102 [0,1,0,0,0,0|2,0,1]=4 276 B8R0.9 CC(=CCl)\C=C\C(O)=O Amb24397298 [0,1,0,0,0,0|2,0,0]=3 277 B8R0.9 CC(=O)C#CC(=O)OC Amb25031911 [0,1,0,0,0,0|1,0,2]=4 278 B8R0.9 CC(=O)C=CC(=O)C=C Amb24061722 [0,1,0,0,0,0|2,0,0]=3 279 B8R0.9 CC(=O)COC(=O)OC Amb25177471 [0,1,0,0,0,0|2,0,1]=4 280 B8R0.9 CC(=O)CSC(=O)OC Amb25318847 [0,1,0,0,0,0|2,0,1]=4 281 B8R0.9 CC(=O)NCC(=O)NO Amb25340085 [0,1,0,0,0,0|2,0,1]=4 282 B8R0.9 CC(=O)NNC(=O)OC Amb24677256 [0,1,0,0,0,0|3,0,0]=4 283 B8R0.9 CC(=O)N\C=C(\C)/C=O Amb18642508 [0,1,0,0,0,0|3,0,0]=4 284 B8R0.9 CC(=O)ONC(=O)CO Amb24431913 [0,1,0,0,0,0|3,0,0]=4 285 B8R0.9 CC(=O)O\C=C(/Br)\C=O Amb25785618 [0,1,0,0,0,0|3,0,0]=4 286 B8R0.9 CC(=O)O\C=C(/C)\C=O Amb24426274 [0,1,0,0,0,0|3,0,0]=4 287 B8R0.9 CC(=O)O\C=C(/F)\C=O Amb25132702 [0,1,0,0,0,0|3,0,0]=4 288 B8R0.9 CC(=O)\C=C/C(=O)C=O Amb25756958 [0,1,0,0,0,0|1,0,1]=3 289 B8R0.9 CC(=O)\C=C/C(=O)CC Amb24649767 [0,1,0,0,0,0|2,0,0]=3 290 B8R0.9 CC(=O)\C=C/C(=O)OC Amb25031885 [0,1,0,0,0,0|1,0,0]=2 291 B8R0.9 CC(=O)\C=C/C(C)=S=O Amb25318848 [0,1,0,0,0,0|2,0,0]=3 292 B8R0.9 CC(=O)\C=C/C(O)C=O Amb24478568 [0,1,0,0,0,0|1,0,1]=3 293 B8R0.9 CC(=O)\C=C/[C@H](O)CO Amb25735081 [0,1,0,0,0,0|1,0,2]=4 294 B8R0.9 CC(=O)\C=C\C(=O)C=O Amb18642365 [0,1,0,0,0,0|1,0,1]=3 295 B8R0.9 CC(=O)\C=C\C(=O)CO Amb24686389 [0,1,0,0,0,0|1,0,0]=2 296 B8R0.9 CC(=O)\C=C\C(=O)OC Amb22336182 [0,1,0,0,0,0|1,0,0]=2 297 B8R0.9 CC(=O)\C=C\C(S)C=O Amb24387673 [0,1,0,0,0,0|1,1,1]=4 298 B8R0.9 CC(=O)\C=C\N(C)CO Amb24582612 [0,1,0,0,0,0|3,0,0]=4 299 B8R0.9 CC(C)=CNC(=O)OC Amb25146144 [0,1,0,0,0,0|3,0,0]=4 300 B8R0.9 CC(C)=C\C=C(\C)/C=O Amb18642240 [0,1,0,0,0,0|3,0,0]=4 301 B8R0.9 CC(C)=C\C=C(\Cl)/C=O Amb25081896 [0,1,0,0,0,0|3,0,0]=4 302 B8R0.9 CC(CC)=C=CC(O)=O Amb25378500 [0,1,0,0,0,0|2,0,1]=4 303 B8R0.9 CC(CCC(O)=O)=NO Amb25138471 [0,1,0,0,0,0|1,0,2]=4 304 B8R0.9 CC(\C=C\C(C)=O)=NO Amb24513914 [0,1,0,0,0,0|2,0,0]=3 305 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [0,1,0,0,0,0|1,0,2]=4 306 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [0,1,0,0,0,0|2,0,1]=4 307 B8R0.9 CCC(=O)OCC(O)=O Amb18642872 [0,1,0,0,0,0|2,0,1]=4 308 B8R0.9 CCC(=O)\C=C\C(O)=O Amb18642585 [0,1,0,0,0,0|1,0,0]=2 309 B8R0.9 CCC(=O)\C=C\C(O)O Amb25093778 [0,1,0,0,0,0|1,0,2]=4 310 B8R0.9 CCC(Br)\C=C\C(O)=O Amb18651360 [0,1,0,0,0,0|2,0,1]=4 311 B8R0.9 CCC(C)\C=C\C(O)=O Amb18988312 [0,1,0,0,0,0|2,0,1]=4 312 B8R0.9 CCC(Cl)=CCC(O)=O Amb24580821 [0,1,0,0,0,0|2,0,1]=4 313 B8R0.9 CCC(Cl)\C=C\C(O)=O Amb24714953 [0,1,0,0,0,0|2,0,1]=4 314 B8R0.9 CCC(O)\C=C\C(C)=O Amb25107127 [0,1,0,0,0,0|2,0,1]=4 315 B8R0.9 CCC(O)\C=C\C(O)=O Amb25328660 [0,1,0,0,0,0|1,0,1]=3 316 B8R0.9 CCC(S)\C=C\C(O)=O Amb18124688 [0,1,0,0,0,0|1,1,1]=4 317 B8R0.9 CC[C@@H](C)\C=C\C(O)=O Amb24117189 [0,1,0,0,0,0|2,0,1]=4 318 B8R0.9 CNC(=O)CNC(O)=O Amb24740399 [0,1,0,0,0,0|2,0,1]=4 319 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [0,1,0,0,0,0|2,0,1]=4 320 B8R0.9 CNC(=O)SCC(O)=O Amb24763198 [0,1,0,0,0,0|2,0,1]=4 321 B8R0.9 CNC(=O)\C=C/S(C)=O Amb25146102 [0,1,0,0,0,0|3,0,0]=4 322 B8R0.9 CNC(=O)\C=C\S(C)=O Amb24656219 [0,1,0,0,0,0|3,0,0]=4 323 B8R0.9 COC(=O)/C=C/[N+]([O-])=O Amb17940326 [0,1,0,0,0,0|1,0,1]=3 324 B8R0.9 COC(=O)C#CC(O)=O Amb22492669 [0,1,0,0,0,0|0,0,2]=3 325 B8R0.9 COC(=O)CCC(=O)C Amb13777321 [0,1,0,0,0,0|1,0,2]=4 326 B8R0.9 COC(=O)CCC(N)=O Amb24323351 [0,1,0,0,0,0|1,0,2]=4 327 B8R0.9 COC(=O)CNC(=O)N Amb1126846 [0,1,0,0,0,0|2,0,1]=4 328 B8R0.9 COC(=O)CSC(N)=O Amb24672643 [0,1,0,0,0,0|2,0,1]=4 329 B8R0.9 COC(=O)\C=C/C(C)C Amb10842318 [0,1,0,0,0,0|2,0,1]=4 330 B8R0.9 COC(=O)\C=C\C(=O)Cl Amb25060248 [0,1,0,0,0,0|1,0,0]=2 331 B8R0.9 COC(=O)\C=C\C(=O)O Amb10071357 [0,1,0,0,0,0|0,0,0]=1 332 B8R0.9 COC(=O)\C=C\C(C)Br Amb25326817 [0,1,0,0,0,0|2,0,1]=4 333 B8R0.9 COC(=O)\C=C\C(C)N Amb25212213 [0,1,0,0,0,0|2,0,1]=4 334 B8R0.9 COC(=O)\C=C\C(Cl)Cl Amb25086625 [0,1,0,0,0,0|2,0,1]=4 335 B8R0.9 COC(=O)\C=C\C(N)=O Amb24458702 [0,1,0,0,0,0|1,0,0]=2 336 B8R0.9 COC(=O)\C=C\C([O-])=O Amb24121535 [0,1,0,0,0,0|0,0,1]=2 337 B8R0.9 COC(=O)\C=C\N(C)C Amb15692783 [0,1,0,0,0,0|3,0,0]=4 338 B8R0.9 COC(=O)\C=C\[C@@H](C)O Amb24446167 [0,1,0,0,0,0|1,0,1]=3 339 B8R0.9 COC(=O)\C=C\[C@H](C)N Amb25797312 [0,1,0,0,0,0|2,0,1]=4 340 B8R0.9 COC(=S)NCC(O)=O Amb25146013 [0,1,0,0,0,0|1,1,1]=4 341 B8R0.9 C\C(\C=C)=C/CC(O)=O Amb25305754 [0,1,0,0,0,0|2,0,1]=4 342 B8R0.9 C\C(\C=CC(N)=O)=N\O Amb24741748 [0,1,0,0,0,0|2,0,0]=3 343 B8R0.9 C\C(\C=CC(O)=O)=N\O Amb24640839 [0,1,0,0,0,0|1,0,0]=2 344 B8R0.9 C\C(\C=C\C(C)=O)=N/O Amb25243565 [0,1,0,0,0,0|2,0,0]=3 345 B8R0.9 C\C(\C=C\C(O)=O)=C/C Amb18642399 [0,1,0,0,0,0|2,0,0]=3 346 B8R0.9 C\C(\C=O)=C/C=C(Cl)Cl Amb24340215 [0,1,0,0,0,0|3,0,0]=4 347 B8R0.9 C\C(\CC)=C/CC(O)=O Amb22011800 [0,1,0,0,0,0|2,0,1]=4 348 B8R0.9 NC(=O)CCC(=O)NO Amb24340146 [0,1,0,0,0,0|1,0,2]=4 349 B8R0.9 NC(=O)COC(=O)CO Amb25739390 [0,1,0,0,0,0|2,0,1]=4 350 B8R0.9 NC(=O)NNC(=O)CO Amb25328968 [0,1,0,0,0,0|3,0,0]=4 351 B8R0.9 NC(NCC(O)=O)=NO Amb24568694 [0,1,0,0,0,0|2,0,1]=4 352 B8R0.9 NCC(=O)CC[13C](O)=O Amb22367280 [0,1,0,0,0,0|1,0,2]=4 353 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [0,1,0,0,0,0|2,0,1]=4 354 B8R0.9 NCC(=O)OCC(O)=O Amb25710415 [0,1,0,0,0,0|2,0,1]=4 355 B8R0.9 NCC(=O)[13CH2]CC(=O)O Amb17608125 [0,1,0,0,0,0|1,0,2]=4 356 B8R0.9 NNC(=O)CCC(O)=O Amb22270256 [0,1,0,0,0,0|1,0,2]=4 357 B8R0.9 NNC(=O)CNC(O)=O Amb25093417 [0,1,0,0,0,0|2,0,1]=4 358 B8R0.9 NNC(=O)\C=C/C(O)=O Amb25046308 [0,1,0,0,0,0|1,0,0]=2 359 B8R0.9 N[13CH2]C(=O)CCC(O)=O Amb22367582 [0,1,0,0,0,0|1,0,2]=4 360 B8R0.9 OC(=O)CCC(=O)C=O Amb18642737 [0,1,0,0,0,0|0,0,3]=4 361 B8R0.9 OC(=O)CCC(=O)CBr Amb18652012 [0,1,0,0,0,0|1,0,2]=4 362 B8R0.9 OC(=O)CCC(=O)CCl Amb25736440 [0,1,0,0,0,0|1,0,2]=4 363 B8R0.9 OC(=O)CCC(=O)CO Amb18642867 [0,1,0,0,0,0|0,0,2]=3 364 B8R0.9 OC(=O)CNC(=O)C=O Amb25328169 [0,1,0,0,0,0|1,0,2]=4 365 B8R0.9 OC(=O)CNC(=O)CBr Amb18130258 [0,1,0,0,0,0|2,0,1]=4 366 B8R0.9 OC(=O)CNC(=O)CCl Amb1144436 [0,1,0,0,0,0|2,0,1]=4 367 B8R0.9 OC(=O)CNC(=O)CO Amb18124375 [0,1,0,0,0,0|1,0,1]=3 368 B8R0.9 OC(=O)CNC(=O)NO Amb25228420 [0,1,0,0,0,0|1,0,1]=3 369 B8R0.9 OC(=O)COC(=O)CCl Amb18644547 [0,1,0,0,0,0|2,0,1]=4 370 B8R0.9 OC(=O)\C=C\C(=O)CBr Amb25718709 [0,1,0,0,0,0|1,0,0]=2 371 B8R0.9 OC(=O)\C=C\C(=O)CO Amb18642735 [0,1,0,0,0,0|0,0,0]=1 372 B8R0.9 OC(=O)\C=C\C(=O)O[Na] Amb22337964 [0,1,0,0,0,0|0,0,0]=1 373 B8R0.9 OC(=O)\C=C\C(=O)O[Na] Amb22338796 [0,1,0,0,0,0|0,0,0]=1 374 B8R0.9 OC(=O)\C=C\C(Cl)C=O Amb24382565 [0,1,0,0,0,0|1,0,1]=3 375 B8R0.9 OC(CBr)\C=C\C(O)=O Amb18647817 [0,1,0,0,0,0|1,0,1]=3 376 B8R0.9 OC(CCC(O)=O)=NO Amb24745795 [0,1,0,0,0,0|0,0,3]=4 377 B8R0.9 OCC(O)\C=C\C(O)=O Amb18642875 [0,1,0,0,0,0|0,0,2]=3 378 B8R0.9 ONC(=O)/C=C\C(O)=O Amb17673396 [0,1,0,0,0,0|0,0,0]=1 379 B8R0.23 C=C(CC(=O)Cl)C(O)=O Amb25227983 [0,1,0,0,0,0|1,0,1]=3 380 B8R0.23 C=C(CC(N)=O)C(N)=O Amb25338425 [0,1,0,0,0,0|2,0,1]=4 381 B8R0.23 C=C(CC(N)=O)C(O)=O Amb24333452 [0,1,0,0,0,0|1,0,1]=3 382 B8R0.23 C=C(CC(O)=O)C(N)=O Amb22011744 [0,1,0,0,0,0|1,0,1]=3 383 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22731973 [0,1,0,0,0,0|0,0,3]=4 384 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22732122 [0,1,0,0,0,0|0,0,3]=4 385 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22732709 [0,1,0,0,0,0|0,0,3]=4 386 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22734239 [0,1,0,0,0,0|0,0,3]=4 387 B8R0.23 CC(=C)CC(=C)C(O)=O Amb24669131 [0,1,0,0,0,0|2,0,1]=4 388 B8R0.23 CC(=CC(=O)Cl)C(=O)Cl Amb24464565 [0,1,0,0,0,0|2,0,0]=3 389 B8R0.23 CC(=CC(N)=O)C(O)=O Amb24744881 [0,1,0,0,0,0|1,0,0]=2 390 B8R0.23 CC(=CC(O)=O)C(C)F Amb25108468 [0,1,0,0,0,0|2,0,1]=4 391 B8R0.23 CC(=CC(O)=O)C(C)N Amb24339945 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.23 CC(=CC(O)=O)[N+]([O-])=O Amb24685014 [0,1,0,0,0,0|1,0,1]=3 393 B8R0.23 CC(=O)C(=C)NC(C)=O Amb24096350 [0,1,0,0,0,0|3,0,0]=4 394 B8R0.23 CC(=O)C(=O)CC(C)=O Amb25806867 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.23 CC(=O)C(=O)NC(N)=O Amb24411479 [0,1,0,0,0,0|3,0,0]=4 396 B8R0.23 CC(=O)C(C)=NC(C)=O Amb25349449 [0,1,0,0,0,0|3,0,0]=4 397 B8R0.23 CC(=O)C(C)CC(O)=O Amb18292788 [0,1,0,0,0,0|1,0,2]=4 398 B8R0.23 CC(=O)C(Cl)CC(O)=O Amb24426109 [0,1,0,0,0,0|1,0,2]=4 399 B8R0.23 CC(=O)C(O)=CC(O)=O Amb25261166 [0,1,0,0,0,0|1,0,0]=2 400 B8R0.23 CC(=O)C(O)CC(O)=O Amb25341886 [0,1,0,0,0,0|1,0,2]=4 401 B8R0.23 CC(=O)CC(=O)C(O)=O Amb18642736 [0,1,0,0,0,0|1,0,1]=3 402 B8R0.23 CC(=O)CC(Br)C(O)=O Amb24710683 [0,1,0,0,0,0|1,0,2]=4 403 B8R0.23 CC(=O)CC(N)C(O)=O Amb18832532 [0,1,0,0,0,0|1,0,2]=4 404 B8R0.23 CC(=O)CC(N)C(O)=O Amb22546289 [0,1,0,0,0,0|1,0,2]=4 405 B8R0.23 CC(=O)CC(O)C(O)=O Amb22500917 [0,1,0,0,0,0|1,0,2]=4 406 B8R0.23 CC(=O)C[C@@H](C)C(O)=O Amb24369598 [0,1,0,0,0,0|1,0,2]=4 407 B8R0.23 CC(=O)C[C@@H](N)C(O)=O Amb22745939 [0,1,0,0,0,0|1,0,2]=4 408 B8R0.23 CC(=O)C[C@H](O)C(O)=O Amb24358758 [0,1,0,0,0,0|1,0,2]=4 409 B8R0.23 CC(=O)NC(O)C(O)=O Amb25146184 [0,1,0,0,0,0|2,0,1]=4 410 B8R0.23 CC(=O)N[C@H](C)C(O)=O Amb19944277 [0,1,0,0,0,0|2,0,1]=4 411 B8R0.23 CC(=O)OC(C)C(O)=O Amb22360672 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.23 CC(=O)SC(C)C(O)=O Amb25719066 [0,1,0,0,0,0|2,0,1]=4 413 B8R0.23 CC(=O)[C@@H](C)CC(O)=O Amb25145964 [0,1,0,0,0,0|1,0,2]=4 414 B8R0.23 CC(=O)[C@@H](N)CC(O)=O Amb25064775 [0,1,0,0,0,0|1,0,2]=4 415 B8R0.23 CC(=O)[C@H](C)CC(O)=O Amb25360184 [0,1,0,0,0,0|1,0,2]=4 416 B8R0.23 CC(=O)\C(\C)=C/C(C)=O Amb24447751 [0,1,0,0,0,0|2,0,0]=3 417 B8R0.23 CC(=O)\C(\C)=C\C(C)=O Amb25773462 [0,1,0,0,0,0|2,0,0]=3 418 B8R0.23 CC(=O)\C(\C)=C\C(O)=O Amb22359749 [0,1,0,0,0,0|1,0,0]=2 419 B8R0.23 CC(=O)\C(\C)=C\[N+]([O-])=O Amb24730259 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.23 CC(=O)\C(\C)=N/C(C)=O Amb24072927 [0,1,0,0,0,0|3,0,0]=4 421 B8R0.23 CC(=O)\C=C(/Br)\C(O)=O Amb24739508 [0,1,0,0,0,0|1,0,0]=2 422 B8R0.23 CC(=O)\C=C(/C)\C(O)=O Amb18642577 [0,1,0,0,0,0|1,0,0]=2 423 B8R0.23 CC(=O)\C=C(/Cl)\C(C)=C Amb25322822 [0,1,0,0,0,0|3,0,0]=4 424 B8R0.23 CC(=O)\C=C(\C)/C(O)=O Amb24582978 [0,1,0,0,0,0|1,0,0]=2 425 B8R0.23 CC(=O)\C=C(\O)/C(O)=O Amb25856143 [0,1,0,0,0,0|1,0,0]=2 426 B8R0.23 CC(C)=C(C)CC(O)=O Amb18642613 [0,1,0,0,0,0|2,0,1]=4 427 B8R0.23 CC(C)=CC(=O)C(O)=O Amb18642579 [0,1,0,0,0,0|2,0,0]=3 428 B8R0.23 CC(C)=C[C@@H](C)C(O)=O Amb25794277 [0,1,0,0,0,0|2,0,1]=4 429 B8R0.23 CC(C)=C[C@H](N)C(O)=O Amb24629144 [0,1,0,0,0,0|2,0,1]=4 430 B8R0.23 CC(C)C(Cl)=CC(O)=O Amb24413053 [0,1,0,0,0,0|2,0,1]=4 431 B8R0.23 CC(C)C(N)=CC(O)=O Amb24481870 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.23 CC(C)C(O)=CC(O)=O Amb24548066 [0,1,0,0,0,0|2,0,1]=4 433 B8R0.23 CC(C)\C(\Br)=C\C(O)=O Amb25074552 [0,1,0,0,0,0|2,0,1]=4 434 B8R0.23 CC(C)\C=C(/F)\C(O)=O Amb18642877 [0,1,0,0,0,0|2,0,1]=4 435 B8R0.23 CC(CC(O)=O)=P(O)=O Amb25264110 [0,1,0,0,0,0|1,0,1]=3 436 B8R0.23 CC(CC(O)=O)C(N)=O Amb25737942 [0,1,0,0,0,0|1,0,2]=4 437 B8R0.23 CC(O)=CC(=O)C(O)=O Amb25047399 [0,1,0,0,0,0|1,0,0]=2 438 B8R0.23 CC(O)CC(=O)C(O)=O Amb25789747 [0,1,0,0,0,0|1,0,2]=4 439 B8R0.23 CC(\C(=C\C(=O)O)\C)C Amb17506861 [0,1,0,0,0,0|2,0,1]=4 440 B8R0.23 C[C@@H](CC(O)=O)C(O)=O Amb22226742 [0,1,0,0,0,0|0,0,2]=3 441 B8R0.23 C[C@@H](O)CC(=O)C(O)=O Amb25239377 [0,1,0,0,0,0|1,0,2]=4 442 B8R0.23 C[C@H](CC(N)=O)C(O)=O Amb25077589 [0,1,0,0,0,0|1,0,2]=4 443 B8R0.23 C[C@H](CC(O)=O)C(O)=O Amb22225399 [0,1,0,0,0,0|0,0,2]=3 444 B8R0.23 C[C@H](O)CC(=O)C(O)=O Amb25859340 [0,1,0,0,0,0|1,0,2]=4 445 B8R0.23 C[C@H](OC(N)=O)C(O)=O Amb24427686 [0,1,0,0,0,0|2,0,1]=4 446 B8R0.23 C\C(=C/C(C)=C)\C(O)=O Amb24523653 [0,1,0,0,0,0|2,0,0]=3 447 B8R0.23 C\C(=C/C(C)=O)\C(C)=C Amb25143380 [0,1,0,0,0,0|3,0,0]=4 448 B8R0.23 C\C(=C/C(C)C)\C(O)=O Amb18642616 [0,1,0,0,0,0|2,0,1]=4 449 B8R0.23 C\C(=C/C(C)O)\C(O)=O Amb18642769 [0,1,0,0,0,0|1,0,1]=3 450 B8R0.23 C\C(=C/C(O)=O)\C(C)F Amb25331272 [0,1,0,0,0,0|2,0,1]=4 451 B8R0.23 C\C(=C/C(O)=O)\[C@@H](C)N Amb24477674 [0,1,0,0,0,0|2,0,1]=4 452 B8R0.23 C\C(=C/C(O)=O)\[C@H](C)N Amb24394205 [0,1,0,0,0,0|2,0,1]=4 453 B8R0.23 C\C(=C/C(O)=O)\[C@H](C)O Amb24340136 [0,1,0,0,0,0|1,0,1]=3 454 B8R0.23 C\C(=C/[C@@H](C)N)\C(O)=O Amb24476675 [0,1,0,0,0,0|2,0,1]=4 455 B8R0.23 C\C(=C\C(C)=C)\C(C)=O Amb24478341 [0,1,0,0,0,0|3,0,0]=4 456 B8R0.23 C\C(=C\C(C)=O)\C(=C)Cl Amb25202638 [0,1,0,0,0,0|3,0,0]=4 457 B8R0.23 C\C(=C\C(C)N)\C(O)=O Amb25731207 [0,1,0,0,0,0|2,0,1]=4 458 B8R0.23 C\C(=C\C(C)O)\C(O)=O Amb24548753 [0,1,0,0,0,0|1,0,1]=3 459 B8R0.23 C\C(=C\C(N)=O)\C(N)=O Amb25146105 [0,1,0,0,0,0|2,0,0]=3 460 B8R0.23 C\C(=C\C(N)=O)\C(O)=O Amb25199871 [0,1,0,0,0,0|1,0,0]=2 461 B8R0.23 C\C(=C\C(O)=O)\C(=N)O Amb24387420 [0,1,0,0,0,0|1,0,0]=2 462 B8R0.23 C\C(=C\N(C)C)\C(O)=O Amb24740153 [0,1,0,0,0,0|3,0,0]=4 463 B8R0.23 C\C(\Cl)=C\C(Cl)C(O)=O Amb24710290 [0,1,0,0,0,0|2,0,1]=4 464 B8R0.23 ClC(=O)CC(=C)C(Cl)=O Amb17938995 [0,1,0,0,0,0|2,0,1]=4 465 B8R0.23 NC(=N)NC(=O)C(O)=O Amb24562832 [0,1,0,0,0,0|3,0,0]=4 466 B8R0.23 NC(=O)C(N)CC(O)=O Amb18124347 [0,1,0,0,0,0|1,0,2]=4 467 B8R0.23 NC(=O)C(O)CC(O)=O Amb25378786 [0,1,0,0,0,0|1,0,2]=4 468 B8R0.23 NC(=O)CC(=O)C(O)=O Amb25146116 [0,1,0,0,0,0|1,0,1]=3 469 B8R0.23 NC(=O)C[C@@H](C(=O)O)C Amb10843937 [0,1,0,0,0,0|1,0,2]=4 470 B8R0.23 NC(=O)C[C@@H](O)C(O)=O Amb24681022 [0,1,0,0,0,0|1,0,2]=4 471 B8R0.23 NC(=O)C[C@H](Br)C(O)=O Amb25137878 [0,1,0,0,0,0|1,0,2]=4 472 B8R0.23 NC(=O)C[C@H](C(=O)O)N Amb10071271 [0,1,0,0,0,0|1,0,2]=4 473 B8R0.23 NC(=O)C[C@H](Cl)C(O)=O Amb24479999 [0,1,0,0,0,0|1,0,2]=4 474 B8R0.23 NC(=O)C[C@H]([15NH2])C(O)=O Amb22338491 [0,1,0,0,0,0|1,0,2]=4 475 B8R0.23 NC(=O)NC(=O)C(O)=O Amb18124345 [0,1,0,0,0,0|2,0,0]=3 476 B8R0.23 NC(=O)NC(N)C(O)=O Amb24418886 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.23 NC(=O)NC(O)C(O)=O Amb22350130 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.23 NC(=O)NC(O)C(O)=O Amb24592607 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.23 NC(=O)[C@@H](N)CC(O)=O Amb19334954 [0,1,0,0,0,0|1,0,2]=4 480 B8R0.23 NC(=O)\C(\Cl)=C/C(N)=O Amb24598183 [0,1,0,0,0,0|2,0,0]=3 481 B8R0.23 NC(=O)\C(\Cl)=C\C(N)=O Amb25369859 [0,1,0,0,0,0|2,0,0]=3 482 B8R0.23 NC(=O)\C=C(\Cl)/C(O)=O Amb24540540 [0,1,0,0,0,0|1,0,0]=2 483 B8R0.23 NC(C=C(Cl)Cl)C(O)=O Amb22350718 [0,1,0,0,0,0|2,0,1]=4 484 B8R0.23 NC(CC(O)=O)C(O)=O Amb22730002 [0,1,0,0,0,0|0,0,2]=3 485 B8R0.23 NC(CC(O)=O)C([O-])=O Amb20241398 [0,1,0,0,0,0|0,0,3]=4 486 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22167994 [0,1,0,0,0,0|0,0,3]=4 487 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22330537 [0,1,0,0,0,0|0,0,3]=4 488 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22337568 [0,1,0,0,0,0|0,0,3]=4 489 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22349433 [0,1,0,0,0,0|0,0,3]=4 490 B8R0.23 NC(CC(O)=O)[13C](O)=O Amb22351321 [0,1,0,0,0,0|0,0,2]=3 491 B8R0.23 NC(CC([O-])=O)C(O)=O Amb22731484 [0,1,0,0,0,0|0,0,3]=4 492 B8R0.23 NC(CS(O)=O)C(O)=O Amb21913242 [0,1,0,0,0,0|1,0,2]=4 493 B8R0.23 NC(C[13C](O)=O)C(O)=O Amb22362630 [0,1,0,0,0,0|0,0,2]=3 494 B8R0.23 NC(C[13C](O)=O)[13C](O)=O Amb22353605 [0,1,0,0,0,0|0,0,2]=3 495 B8R0.23 NC([13CH2]C(O)=O)C(O)=O Amb22336729 [0,1,0,0,0,0|0,0,2]=3 496 B8R0.23 N[13C@@H](CC(O)=O)[13C](O)=O Amb22353606 [0,1,0,0,0,0|0,0,2]=3 497 B8R0.23 N[13C](=O)[13CH2][13C@H](N)[13C](O)=O Amb22367522 [0,1,0,0,0,0|1,0,2]=4 498 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb20241378 [0,1,0,0,0,0|0,0,3]=4 499 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22337725 [0,1,0,0,0,0|0,0,3]=4 500 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22352336 [0,1,0,0,0,0|0,0,3]=4 501 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22748705 [0,1,0,0,0,0|0,0,3]=4 502 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22801032 [0,1,0,0,0,0|0,0,3]=4 503 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb20240565 [0,1,0,0,0,0|0,0,3]=4 504 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb22748769 [0,1,0,0,0,0|0,0,3]=4 505 B8R0.23 N[C@@H](C[13C](N)=O)C(O)=O Amb22353613 [0,1,0,0,0,0|1,0,2]=4 506 B8R0.23 N[C@@H]([13CH2][13C](O)=O)C(O)=O Amb22367550 [0,1,0,0,0,0|0,0,2]=3 507 B8R0.23 N[C@H](CC(N)=O)C(O)=O Amb17749060 [0,1,0,0,0,0|1,0,2]=4 508 B8R0.23 N[C@H](CC(O)=O)P(O)=O Amb25838846 [0,1,0,0,0,0|1,0,2]=4 509 B8R0.23 N[C@H](CS(O)=O)C(O)=O Amb24366002 [0,1,0,0,0,0|1,0,2]=4 510 B8R0.23 OC(=O)C(=O)C=C(Cl)Cl Amb25188933 [0,1,0,0,0,0|2,0,0]=3 511 B8R0.23 OC(=O)C(=S)CC(O)=O Amb25304511 [0,1,0,0,0,0|0,0,1]=2 512 B8R0.23 OC(=O)C(Cl)C=C(Cl)Cl Amb24635775 [0,1,0,0,0,0|2,0,1]=4 513 B8R0.23 OC(=O)C(Cl)CS(O)=O Amb25708099 [0,1,0,0,0,0|1,0,2]=4 514 B8R0.23 OC(=O)C(F)=CC(Cl)Cl Amb24529038 [0,1,0,0,0,0|2,0,1]=4 515 B8R0.23 OC(=O)C(F)CC(O)=O Amb25077170 [0,1,0,0,0,0|0,0,2]=3 516 B8R0.23 OC(=O)C(O)C=C(Cl)Cl Amb24355502 [0,1,0,0,0,0|2,0,1]=4 517 B8R0.23 OC(=O)C(O)CC(=O)S Amb25690206 [0,1,0,0,0,0|0,1,2]=4 518 B8R0.23 OC(=O)C(O)CC(O)=O Amb21935660 [0,1,0,0,0,0|0,0,2]=3 519 B8R0.23 OC(=O)C(S)CC(O)=O Amb22729564 [0,1,0,0,0,0|0,0,2]=3 520 B8R0.23 OC(=O)CC(=C(Cl)Cl)Cl Amb2227973 [0,1,0,0,0,0|2,0,1]=4 521 B8R0.23 OC(=O)CC(=O)C(=O)C Amb17593364 [0,1,0,0,0,0|1,0,1]=3 522 B8R0.23 OC(=O)CC(C(=O)O)C Amb1935053 [0,1,0,0,0,0|0,0,2]=3 523 B8R0.23 OC(=O)CC(O)C(=O)Cl Amb25700438 [0,1,0,0,0,0|1,0,2]=4 524 B8R0.23 OC(=O)CC(O)C(O)=O Amb22734584 [0,1,0,0,0,0|0,0,2]=3 525 B8R0.23 OC(=O)CN(C(=O)C)C Amb1111693 [0,1,0,0,0,0|2,0,1]=4 526 B8R0.23 OC(=O)CN(C(=O)N)C Amb2371395 [0,1,0,0,0,0|2,0,1]=4 527 B8R0.23 OC(=O)C[C@@H](C(=O)O)N Amb16232085 [0,1,0,0,0,0|0,0,2]=3 528 B8R0.23 OC(=O)[13CH](O)CC(O)=O Amb22367337 [0,1,0,0,0,0|0,0,2]=3 529 B8R0.23 OC(=O)[C@@H](Cl)CC(O)=O Amb20242425 [0,1,0,0,0,0|0,0,2]=3 530 B8R0.23 OC(=O)[C@@H](S)CC(O)=O Amb22504526 [0,1,0,0,0,0|0,0,2]=3 531 B8R0.23 OC(=O)[C@H](Br)CC(O)=O Amb22504149 [0,1,0,0,0,0|0,0,2]=3 532 B8R0.23 OC(=O)[C@H](Cl)CC(O)=O Amb20242424 [0,1,0,0,0,0|0,0,2]=3 533 B8R0.23 OC(=O)[C@H](S)CC(O)=O Amb25124090 [0,1,0,0,0,0|0,0,2]=3 534 B8R0.23 OC(=O)\C(\Br)=C/C(O)=O Amb25746120 [0,1,0,0,0,0|0,0,0]=1 535 B8R0.23 OC(=O)\C(\Cl)=C/C(O)=O Amb24481892 [0,1,0,0,0,0|0,0,0]=1 536 B8R0.23 OC(=O)\C(\F)=C/C(O)=O Amb18124397 [0,1,0,0,0,0|0,0,0]=1 537 B8R0.23 OC(=O)\C(\I)=C/C(O)=O Amb25736420 [0,1,0,0,0,0|0,0,0]=1 538 B8R0.23 OC(=O)\C=C(\C(=C)C)/C Amb17593311 [0,1,0,0,0,0|2,0,0]=3 539 B8R0.23 OC(=O)\C=C(\Cl)/C(F)F Amb24635850 [0,1,0,0,0,0|2,0,1]=4 540 B8R0.23 O[13C](=O)[13CH2][13CH]([13C](=O)O)O Amb17616665 [0,1,0,0,0,0|0,0,2]=3 541 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22337484 [0,1,0,0,0,0|1,0,2]=4 542 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22351412 [0,1,0,0,0,0|1,0,2]=4 543 B8R0.23 [15NH2]C(CC(O)=O)C(O)=O Amb22731529 [0,1,0,0,0,0|0,0,2]=3 544 B8R0.23 [15NH2][13C@@H]([13CH2][13C](O)=O)[13C](O)=O Amb22353584 [0,1,0,0,0,0|0,0,2]=3 545 B8R0.23 [15NH2][13CH](CC(O)=O)C(O)=O Amb22351286 [0,1,0,0,0,0|0,0,2]=3 546 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337495 [0,1,0,0,0,0|1,0,2]=4 547 B8R0.23 [15NH2][C@@H](CC(O)=O)[13C](O)=O Amb22367524 [0,1,0,0,0,0|0,0,2]=3 548 B8R0.23 [O-]C(=O)CC(O)C(O)=O Amb22734911 [0,1,0,0,0,0|0,0,3]=4 549 B8R0.29 CC(=O)\C=C\C(C)(C)O Amb25142884 [0,1,0,0,0,0|2,0,1]=4 550 B8R0.29 CC(C)(Br)\C=C\C(O)=O Amb25178813 [0,1,0,0,0,0|2,0,1]=4 551 B8R0.29 CC(C)(O)\C=C\C(O)=O Amb18642770 [0,1,0,0,0,0|1,0,1]=3 552 B8R0.29 CC(F)(F)\C=C\C(O)=O Amb22295928 [0,1,0,0,0,0|2,0,1]=4 553 B8R0.29 CS(=O)(=O)\C=C\C(O)=O Amb23511152 [0,1,0,0,0,0|1,0,1]=3 554 B8R0.29 C[Si](C)(C)\C=C\C(O)=O Amb25380054 [0,1,0,0,0,0|2,1,0]=4 555 B8R0.29 O=C(Cl)\C=C\S(=O)(=O)Cl Amb24367388 [0,1,0,0,0,0|2,0,1]=4 556 B8R0.29 OC(=O)CCP(=O)(O)C Amb1792559 [0,1,0,0,0,0|1,0,2]=4 557 B8R0.29 OC(=O)CCP(=O)(O)O Amb2228990 [0,1,0,0,0,0|1,0,2]=4 558 B8R0.29 OC(=O)CCS(=O)(=O)O Amb17399954 [0,1,0,0,0,0|1,0,2]=4 559 B8R0.29 OC(=O)CNP(O)(O)=O Amb25831517 [0,1,0,0,0,0|2,0,1]=4 560 B8R0.29 OC(=O)CNS(O)(=O)=O Amb25233409 [0,1,0,0,0,0|2,0,1]=4 561 B8R0.29 OC(=O)COP(O)(O)=O Amb24442945 [0,1,0,0,0,0|2,0,1]=4 562 B8R0.29 OC(=O)COS(O)(=O)=O Amb25210824 [0,1,0,0,0,0|2,0,1]=4 563 B8R0.29 OC(=O)CSS(O)(=O)=O Amb24339336 [0,1,0,0,0,0|2,0,1]=4 564 B8R0.29 OC(=O)NCP(O)(=O)=O Amb22359211 [0,1,0,0,0,0|2,0,1]=4 565 B8R0.29 OC(=O)\C=C\C(Br)(F)F Amb10838817 [0,1,0,0,0,0|2,0,1]=4 566 B8R0.29 OC(=O)\C=C\C(Cl)(Cl)Cl Amb25146993 [0,1,0,0,0,0|2,0,1]=4 567 B8R0.29 OC(=O)\C=C\C(F)(F)Cl Amb22295927 [0,1,0,0,0,0|2,0,1]=4 568 B8R0.29 OC(=O)\C=C\P(O)(O)=O Amb25242468 [0,1,0,0,0,0|1,0,0]=2 569 B8R0.29 OC(=O)\C=C\S(=O)(=O)Cl Amb25250579 [0,1,0,0,0,0|1,0,1]=3 570 B8R0.29 OC(=O)\C=C\S(O)(=O)=O Amb24649045 [0,1,0,0,0,0|1,0,0]=2 571 B8R1.3 C=C1C=CC(=O)C=C1 Amb22731854 [0,0,0,1,0,0|3,0,0]=4 572 B8R1.3 C=C1CCC(=O)C=C1 Amb24416744 [0,0,0,1,0,0|3,0,0]=4 573 B8R1.3 CC=1C=CC(=O)NC1 Amb18039971 [0,0,0,1,0,0|3,0,0]=4 574 B8R1.3 CC=1C=CC(=O)NN1 Amb18372841 [0,0,0,1,0,0|3,0,0]=4 575 B8R1.3 CC=1C=CC(=O)NN1 Amb19373006 [0,0,0,1,0,0|3,0,0]=4 576 B8R1.3 CC=1C=CC(=O)NN1 Amb19894726 [0,0,0,1,0,0|3,0,0]=4 577 B8R1.3 Cc1ccc(O)cc1 Amb22348103 [0,0,0,1,0,0|3,0,0]=4 578 B8R1.3 NC=1C=CC(=O)NC1 Amb19958325 [0,0,0,1,0,0|3,0,0]=4 579 B8R1.3 NC=1C=CC(=O)NN1 Amb18124225 [0,0,0,1,0,0|3,0,0]=4 580 B8R1.3 NC=1C=CC(=O)NN1 Amb24271086 [0,0,0,1,0,0|3,0,0]=4 581 B8R1.3 N[13c]1[13cH][13cH][13c]([13cH][13cH]1)O Amb17608232 [0,0,0,1,0,0|3,0,0]=4 582 B8R1.3 Nc1ccc(O)[n][n]1 Amb18943976 [0,0,0,1,0,0|3,0,0]=4 583 B8R1.3 Nc1ccc(O)c[n]1 Amb19894703 [0,0,0,1,0,0|3,0,0]=4 584 B8R1.3 Nc1ccc(O)c[n]1 Amb22304742 [0,0,0,1,0,0|3,0,0]=4 585 B8R1.3 Nc1ccc(O)cc1 Amb22732595 [0,0,0,1,0,0|3,0,0]=4 586 B8R1.3 O=C1C=CC(=O)C#C1 Amb25272503 [0,0,0,1,0,0|2,0,0]=3 587 B8R1.3 O=C1C=CC(=O)N=N1 Amb22498641 [0,0,0,1,0,0|2,0,0]=3 588 B8R1.3 O=C1C=CC(=O)NN1 Amb19651991 [0,0,0,1,0,0|2,0,0]=3 589 B8R1.3 O=C1C=CC(=O)NN1 Amb21973274 [0,0,0,1,0,0|2,0,0]=3 590 B8R1.3 O=C1C=CC(=S)C=C1 Amb24600986 [0,0,0,1,0,0|2,1,0]=4 591 B8R1.3 O=C1C=CC(Br)=CN1 Amb18010721 [0,0,0,1,0,0|3,0,0]=4 592 B8R1.3 O=C1C=CC(Br)=NN1 Amb22491266 [0,0,0,1,0,0|3,0,0]=4 593 B8R1.3 O=C1C=CC(Cl)=CN1 Amb18039972 [0,0,0,1,0,0|3,0,0]=4 594 B8R1.3 O=C1C=CC(Cl)=CO1 Amb20247269 [0,0,0,1,0,0|2,0,0]=3 595 B8R1.3 O=C1C=CC(Cl)=NN1 Amb19148928 [0,0,0,1,0,0|3,0,0]=4 596 B8R1.3 O=C1C=CC(F)=CN1 Amb18040570 [0,0,0,1,0,0|3,0,0]=4 597 B8R1.3 O=C1C=CC(F)=NN1 Amb22387070 [0,0,0,1,0,0|3,0,0]=4 598 B8R1.3 O=C1C=CC(I)=CN1 Amb22001395 [0,0,0,1,0,0|3,0,0]=4 599 B8R1.3 O=C1C=CC(I)=CO1 Amb20247268 [0,0,0,1,0,0|2,0,0]=3 600 B8R1.3 O=C1C=CC(I)=NN1 Amb24445162 [0,0,0,1,0,0|3,0,0]=4 601 B8R1.3 O=C1C=NC(=O)C=C1 Amb25322789 [0,0,0,1,0,0|2,0,0]=3 602 B8R1.3 O=C1CNC(=O)OC1 Amb24481365 [0,0,0,1,0,0|2,0,1]=4 603 B8R1.3 O=C1COC(C=C1)O Amb17593180 [0,0,0,1,0,0|1,0,2]=4 604 B8R1.3 O=c1ccc(Br)co1 Amb22231971 [0,0,0,1,0,0|2,0,0]=3 605 B8R1.3 OC1=CNC(=O)N=C1 Amb23442838 [0,0,0,1,0,0|3,0,0]=4 606 B8R1.3 OC1C=CC(=O)C=C1 Amb25834325 [0,0,0,1,0,0|2,0,1]=4 607 B8R1.3 OC=1C=CC(=O)NC1 Amb19889905 [0,0,0,1,0,0|2,0,0]=3 608 B8R1.3 OC=1C=CC(=O)NN1 Amb22058718 [0,0,0,1,0,0|2,0,0]=3 609 B8R1.3 ON1C=CC(=O)C=C1 Amb24608607 [0,0,0,1,0,0|3,0,0]=4 610 B8R1.3 O[C@@H]1CNC(=O)C=C1 Amb25844378 [0,0,0,1,0,0|2,0,1]=4 611 B8R1.3 O[C@H]1CCC(=O)C=C1 Amb25707492 [0,0,0,1,0,0|2,0,1]=4 612 B8R1.3 O[C@H]1CNC(=O)C=C1 Amb24565407 [0,0,0,1,0,0|2,0,1]=4 613 B8R1.3 Oc1ccc(Br)cc1 Amb22229717 [0,0,0,1,0,0|3,0,0]=4 614 B8R1.3 Oc1ccc(Cl)cc1 Amb22229752 [0,0,0,1,0,0|3,0,0]=4 615 B8R1.3 Oc1ccc(O)cc1 Amb22453572 [0,0,0,1,0,0|2,0,0]=3 616 B8R1.3 Oc1ccc(S)[n][n]1 Amb18642599 [0,0,0,1,0,0|2,1,0]=4 617 B8R1.3 Oc1ccc(cc1)[*] Amb20246722 [0,0,0,1,0,0|3,0,0]=4 618 B8R1.3 Oc1ccc(nn1)Br Amb10599725 [0,0,0,1,0,0|3,0,0]=4 619 B8R1.3 Oc1ccc(nn1)O Amb1971461 [0,0,0,1,0,0|2,0,0]=3 620 B8R1.3 Oc1ncc(nc1)O Amb10599610 [0,0,0,1,0,0|3,0,0]=4 621 B8R1.3 [13CH3]c1ccc(O)cc1 Amb22351887 [0,0,0,1,0,0|3,0,0]=4 622 B8R1.3 [2H]c1ccc(O)cc1 Amb22367553 [0,0,0,1,0,0|3,0,0]=4 623 B8R1.20 CC1CC1=CC(O)=O Amb25256441 [0,0,0,1,0,0|2,0,1]=4 624 B8R1.23 O=C1CC(C1)C(=O)O Amb1106387 [0,0,0,1,0,0|1,0,2]=4 625 B8R1.23 O=C1CC(N1)C(=O)O Amb16232079 [0,0,0,1,0,0|1,0,2]=4 626 B8R1.23 OC(=O)[C@@H]1CC(=O)N1 Amb22367070 [0,0,0,1,0,0|1,0,2]=4 627 B8R1.23 OC(=O)[C@H]1CC(=O)O1 Amb25705638 [0,0,0,1,0,0|0,0,2]=3 628 B8R1.35 CC(=O)\C=C/[C@H]1CO1 Amb24662437 [0,0,0,1,0,0|2,0,1]=4 629 B8R1.35 CC(=O)\C=C\C1CO1 Amb24449027 [0,0,0,1,0,0|2,0,1]=4 630 B8R1.35 CC(=O)\C=C\[C@H]1CO1 Amb25263639 [0,0,0,1,0,0|2,0,1]=4 631 B8R1.35 OC(=O)CC=C1CC1 Amb25119812 [0,0,0,1,0,0|2,0,1]=4 632 B8R1.35 OC(=O)\C=C\C1CC1 Amb18285135 [0,0,0,1,0,0|2,0,1]=4 633 B8R1.35 OC(=O)\C=C\C1CO1 Amb24548089 [0,0,0,1,0,0|1,0,1]=3 634 B8R1.51 CC1(C)C=CC(=O)O1 Amb24099124 [0,0,0,1,0,0|2,0,1]=4 635 B8R1.51 CC1(O)C=CC(=O)N1 Amb25690566 [0,0,0,1,0,0|2,0,1]=4 636 B8R1.51 O=C1C=CC(Cl)(Cl)O1 Amb25758877 [0,0,0,1,0,0|2,0,1]=4 637 B8R1.77 CC1(C)C=C1C(O)=O Amb24746031 [0,0,0,1,0,0|2,0,1]=4 638 B6R0.2 C=C(Br)CC(O)=O Amb24479176 [0,0,0,0,1,0|2,0,1]=4 639 B6R0.2 CC(=CC(=O)N)C Amb10561758 [0,0,0,0,1,0|3,0,0]=4 640 B6R0.2 CC(=CC(=O)O)C Amb1485519 [0,0,0,0,1,0|2,0,0]=3 641 B6R0.2 CC(=O)CC(=O)Br Amb24422459 [0,0,0,0,1,0|2,0,1]=4 642 B6R0.2 CC(=O)CC(C)=O Amb22727963 [0,0,0,0,1,0|2,0,1]=4 643 B6R0.2 CC(=O)CC(O)=O Amb22348460 [0,0,0,0,1,0|1,0,1]=3 644 B6R0.2 CC(=O)CC(O)=S Amb24689856 [0,0,0,0,1,0|1,1,1]=4 645 B6R0.2 CC(=O)CC([O-])=O Amb22265051 [0,0,0,0,1,0|1,0,2]=4 646 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22045487 [0,0,0,0,1,0|2,0,1]=4 647 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22053694 [0,0,0,0,1,0|2,0,1]=4 648 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22054021 [0,0,0,0,1,0|2,0,1]=4 649 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22730050 [0,0,0,0,1,0|2,0,1]=4 650 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22730391 [0,0,0,0,1,0|2,0,1]=4 651 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22733055 [0,0,0,0,1,0|2,0,1]=4 652 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22734591 [0,0,0,0,1,0|2,0,1]=4 653 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22734615 [0,0,0,0,1,0|2,0,1]=4 654 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22734932 [0,0,0,0,1,0|2,0,1]=4 655 B6R0.2 CC(=S)C=C(C)O Amb24518407 [0,0,0,0,1,0|2,1,0]=4 656 B6R0.2 CC(Br)=CC(O)=O Amb25347173 [0,0,0,0,1,0|2,0,0]=3 657 B6R0.2 CC(Cl)=CC(N)=O Amb24567853 [0,0,0,0,1,0|3,0,0]=4 658 B6R0.2 CC(F)=CC(O)=O Amb24676595 [0,0,0,0,1,0|2,0,0]=3 659 B6R0.2 CC(I)=CC(O)=O Amb24668934 [0,0,0,0,1,0|2,0,0]=3 660 B6R0.2 CC(N)=CC(O)=O Amb25856437 [0,0,0,0,1,0|2,0,0]=3 661 B6R0.2 CC(O)=CC(O)O Amb24431523 [0,0,0,0,1,0|1,0,2]=4 662 B6R0.2 CC(O)CC(O)=O Amb22348403 [0,0,0,0,1,0|1,0,2]=4 663 B6R0.2 CC(S)=CC(C)=O Amb24611600 [0,0,0,0,1,0|2,1,0]=4 664 B6R0.2 CN(O)CC(O)=O Amb24732008 [0,0,0,0,1,0|2,0,1]=4 665 B6R0.2 CS(=O)CC(O)=O Amb18957960 [0,0,0,0,1,0|2,0,1]=4 666 B6R0.2 CS(C)=CC(O)=O Amb25717234 [0,0,0,0,1,0|3,0,0]=4 667 B6R0.2 C[13C](=O)O[13C](C)=O Amb22353530 [0,0,0,0,1,0|3,0,0]=4 668 B6R0.2 C[C@H](O)CC(O)=O Amb22232025 [0,0,0,0,1,0|1,0,2]=4 669 B6R0.2 C\C(=C/C(=O)C)\N Amb1149988 [0,0,0,0,1,0|3,0,0]=4 670 B6R0.2 C\C(\Br)=C\C(O)=O Amb25662428 [0,0,0,0,1,0|2,0,0]=3 671 B6R0.2 C\C(\Cl)=C/C(C)=O Amb25795658 [0,0,0,0,1,0|3,0,0]=4 672 B6R0.2 C\C(\Cl)=C/C(O)=O Amb18123483 [0,0,0,0,1,0|2,0,0]=3 673 B6R0.2 C\C(\Cl)=C\C(N)=O Amb24714532 [0,0,0,0,1,0|3,0,0]=4 674 B6R0.2 C\C(\Cl)=C\C(O)=O Amb23556468 [0,0,0,0,1,0|2,0,0]=3 675 B6R0.2 C\C(\F)=C/C(C)=O Amb24614698 [0,0,0,0,1,0|3,0,0]=4 676 B6R0.2 C\C(\F)=C\C(C)=O Amb25717786 [0,0,0,0,1,0|3,0,0]=4 677 B6R0.2 C\C(\I)=C/C(N)=O Amb25378941 [0,0,0,0,1,0|3,0,0]=4 678 B6R0.2 C\C(\I)=C\C(O)=O Amb24741877 [0,0,0,0,1,0|2,0,0]=3 679 B6R0.2 C\C(\N)=C\C(N)=O Amb22002462 [0,0,0,0,1,0|3,0,0]=4 680 B6R0.2 C\C(\O)=C\C(C)=O Amb22034390 [0,0,0,0,1,0|2,0,0]=3 681 B6R0.2 C\C(\[O-])=C/C(C)=O Amb19894693 [0,0,0,0,1,0|2,0,1]=4 682 B6R0.2 C\C(\[O-])=C\C(C)=O Amb19959976 [0,0,0,0,1,0|2,0,1]=4 683 B6R0.2 C\C(\[O-])=C\C(C)=O Amb20239360 [0,0,0,0,1,0|2,0,1]=4 684 B6R0.2 C\C(\[O-])=C\C(C)=O Amb20239373 [0,0,0,0,1,0|2,0,1]=4 685 B6R0.2 C\C(\[O-])=C\C(C)=O Amb20239374 [0,0,0,0,1,0|2,0,1]=4 686 B6R0.2 C\C(\[O-])=C\C(C)=O Amb20239443 [0,0,0,0,1,0|2,0,1]=4 687 B6R0.2 C\C(\[O-])=C\C(C)=O Amb20246565 [0,0,0,0,1,0|2,0,1]=4 688 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045337 [0,0,0,0,1,0|2,0,1]=4 689 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045339 [0,0,0,0,1,0|2,0,1]=4 690 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045350 [0,0,0,0,1,0|2,0,1]=4 691 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045370 [0,0,0,0,1,0|2,0,1]=4 692 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045376 [0,0,0,0,1,0|2,0,1]=4 693 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045378 [0,0,0,0,1,0|2,0,1]=4 694 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045379 [0,0,0,0,1,0|2,0,1]=4 695 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045386 [0,0,0,0,1,0|2,0,1]=4 696 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045388 [0,0,0,0,1,0|2,0,1]=4 697 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045392 [0,0,0,0,1,0|2,0,1]=4 698 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045393 [0,0,0,0,1,0|2,0,1]=4 699 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045408 [0,0,0,0,1,0|2,0,1]=4 700 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045419 [0,0,0,0,1,0|2,0,1]=4 701 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045578 [0,0,0,0,1,0|2,0,1]=4 702 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045602 [0,0,0,0,1,0|2,0,1]=4 703 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045712 [0,0,0,0,1,0|2,0,1]=4 704 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045835 [0,0,0,0,1,0|2,0,1]=4 705 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045854 [0,0,0,0,1,0|2,0,1]=4 706 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045869 [0,0,0,0,1,0|2,0,1]=4 707 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22052617 [0,0,0,0,1,0|2,0,1]=4 708 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053071 [0,0,0,0,1,0|2,0,1]=4 709 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053499 [0,0,0,0,1,0|2,0,1]=4 710 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053500 [0,0,0,0,1,0|2,0,1]=4 711 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053502 [0,0,0,0,1,0|2,0,1]=4 712 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053503 [0,0,0,0,1,0|2,0,1]=4 713 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053559 [0,0,0,0,1,0|2,0,1]=4 714 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053596 [0,0,0,0,1,0|2,0,1]=4 715 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053692 [0,0,0,0,1,0|2,0,1]=4 716 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053697 [0,0,0,0,1,0|2,0,1]=4 717 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053737 [0,0,0,0,1,0|2,0,1]=4 718 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053933 [0,0,0,0,1,0|2,0,1]=4 719 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053935 [0,0,0,0,1,0|2,0,1]=4 720 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053939 [0,0,0,0,1,0|2,0,1]=4 721 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053940 [0,0,0,0,1,0|2,0,1]=4 722 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053954 [0,0,0,0,1,0|2,0,1]=4 723 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22054002 [0,0,0,0,1,0|2,0,1]=4 724 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22054020 [0,0,0,0,1,0|2,0,1]=4 725 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22054022 [0,0,0,0,1,0|2,0,1]=4 726 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22054119 [0,0,0,0,1,0|2,0,1]=4 727 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22466635 [0,0,0,0,1,0|2,0,1]=4 728 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22728947 [0,0,0,0,1,0|2,0,1]=4 729 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22729908 [0,0,0,0,1,0|2,0,1]=4 730 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22729969 [0,0,0,0,1,0|2,0,1]=4 731 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22729970 [0,0,0,0,1,0|2,0,1]=4 732 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22730028 [0,0,0,0,1,0|2,0,1]=4 733 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22730125 [0,0,0,0,1,0|2,0,1]=4 734 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22731170 [0,0,0,0,1,0|2,0,1]=4 735 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22733289 [0,0,0,0,1,0|2,0,1]=4 736 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22733723 [0,0,0,0,1,0|2,0,1]=4 737 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22735083 [0,0,0,0,1,0|2,0,1]=4 738 B6R0.2 N=C(Cl)CC(O)=O Amb25796071 [0,0,0,0,1,0|2,0,1]=4 739 B6R0.2 NC(=O)C=C(Cl)Cl Amb25728096 [0,0,0,0,1,0|3,0,0]=4 740 B6R0.2 NC(=O)CC(=O)N Amb1971463 [0,0,0,0,1,0|2,0,1]=4 741 B6R0.2 NC(=O)CC([O-])=O Amb22263088 [0,0,0,0,1,0|1,0,2]=4 742 B6R0.2 NC(=O)[CH-]C(N)=O Amb24591184 [0,0,0,0,1,0|2,0,1]=4 743 B6R0.2 N[13C](=O)N[13C](N)=O Amb22367408 [0,0,0,0,1,0|3,0,0]=4 744 B6R0.2 N[13C](=O)[13CH2][13C](=O)N Amb17616663 [0,0,0,0,1,0|2,0,1]=4 745 B6R0.2 N[C@@H](CC(=O)O)O Amb16232006 [0,0,0,0,1,0|1,0,2]=4 746 B6R0.2 O=C(Cl)C=C(Br)Br Amb25026151 [0,0,0,0,1,0|3,0,0]=4 747 B6R0.2 OB(O)CC(O)=O Amb24053058 [0,0,0,0,1,0|1,0,2]=4 748 B6R0.2 OC(=O)C=C(Br)Br Amb24435008 [0,0,0,0,1,0|2,0,0]=3 749 B6R0.2 OC(=O)C=C(F)F Amb24116995 [0,0,0,0,1,0|2,0,0]=3 750 B6R0.2 OC(=O)CC(=S)N Amb17465742 [0,0,0,0,1,0|1,1,1]=4 751 B6R0.2 OC(=O)CC(O)=O Amb21935659 [0,0,0,0,1,0|0,0,1]=2 752 B6R0.2 OC(=O)CC(O)=O Amb22230690 [0,0,0,0,1,0|0,0,1]=2 753 B6R0.2 OC(=O)CC(O)=O Amb22230927 [0,0,0,0,1,0|0,0,1]=2 754 B6R0.2 OC(=O)[13CH2]C(O)=O Amb22337806 [0,0,0,0,1,0|0,0,1]=2 755 B6R0.2 O[13C](=O)C[13C](O)=O Amb22353218 [0,0,0,0,1,0|0,0,1]=2 756 B6R0.2 O[13C](=O)[13CH2][13C](O)=O Amb22363192 [0,0,0,0,1,0|0,0,1]=2 757 B6R0.2 O[14C](=O)O[14C](O)=O Amb22362831 [0,0,0,0,1,0|1,0,0]=2 758 B6R0.2 [13CH3]C(=O)OC([13CH3])=O Amb22336728 [0,0,0,0,1,0|3,0,0]=4 759 B6R0.2 [13CH3][13C](=O)O[13C]([13CH3])=O Amb22338759 [0,0,0,0,1,0|3,0,0]=4 760 B6R0.2 [15NH2]C(=O)[15NH]C([15NH2])=O Amb22367466 [0,0,0,0,1,0|3,0,0]=4 761 B6R0.2 [O-]C(=O)CC(=O)[O-] Amb10070428 [0,0,0,0,1,0|0,0,3]=4 762 B6R0.2 [O-]C(=O)CC([O-])=O Amb22730396 [0,0,0,0,1,0|0,0,3]=4 763 B8R0.28 CC(=C)\C=C\CC(O)=O Amb18642409 [0,0,0,0,0,1|2,0,0]=3 764 B8R0.28 CC(=O)C=NNC(N)=O Amb24561654 [0,0,0,0,0,1|3,0,0]=4 765 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,0,0,0,0,1|1,0,2]=4 766 B8R0.28 CC(=O)CNCC(O)=O Amb24375747 [0,0,0,0,0,1|1,0,2]=4 767 B8R0.28 CC(=O)C\C=C/C(C)=C Amb25810284 [0,0,0,0,0,1|3,0,0]=4 768 B8R0.28 CC(=O)C\C=C\C(=O)O Amb16232091 [0,0,0,0,0,1|1,0,0]=2 769 B8R0.28 CC(=O)C\C=C\C(C)=C Amb24744667 [0,0,0,0,0,1|3,0,0]=4 770 B8R0.28 CC(=O)N=C=CC(C)=O Amb24072229 [0,0,0,0,0,1|2,0,1]=4 771 B8R0.28 CC(=O)N=CNC(C)=O Amb24541273 [0,0,0,0,0,1|3,0,0]=4 772 B8R0.28 CC(=O)N\C=C/[N+]([O-])=O Amb21858872 [0,0,0,0,0,1|2,0,1]=4 773 B8R0.28 CC(=O)N\C=C\B(O)O Amb25123087 [0,0,0,0,0,1|2,0,1]=4 774 B8R0.28 CC(=O)N\C=C\C(N)=O Amb24477760 [0,0,0,0,0,1|2,0,0]=3 775 B8R0.28 CC(=O)N\C=C\[N+]([O-])=O Amb24551997 [0,0,0,0,0,1|2,0,1]=4 776 B8R0.28 CC(=O)OCCC(O)=O Amb18642866 [0,0,0,0,0,1|1,0,2]=4 777 B8R0.28 CC(=O)O\N=C\C(C)=O Amb25043999 [0,0,0,0,0,1|3,0,0]=4 778 B8R0.28 CC(=O)S\C=C\B(O)O Amb25675953 [0,0,0,0,0,1|2,0,1]=4 779 B8R0.28 CC(=O)\C=C/CC(C)=O Amb25072729 [0,0,0,0,0,1|2,0,0]=3 780 B8R0.28 CC(=O)\C=C/NC(C)=O Amb24072874 [0,0,0,0,0,1|2,0,0]=3 781 B8R0.28 CC(=O)\C=C\CC(C)=O Amb25238337 [0,0,0,0,0,1|2,0,0]=3 782 B8R0.28 CC(=O)\C=C\NC(C)=O Amb24072848 [0,0,0,0,0,1|2,0,0]=3 783 B8R0.28 CC(=O)\C=C\OC(C)=O Amb25225602 [0,0,0,0,0,1|2,0,0]=3 784 B8R0.28 CC(=O)\C=C\SC(N)=N Amb25834432 [0,0,0,0,0,1|3,0,0]=4 785 B8R0.28 CC(=O)\C=N/CC(O)=O Amb25347610 [0,0,0,0,0,1|1,0,1]=3 786 B8R0.28 CC(Br)=CCCC(O)=O Amb25200944 [0,0,0,0,0,1|2,0,1]=4 787 B8R0.28 CC(C)/C=C/CC(O)=O Amb17844074 [0,0,0,0,0,1|2,0,1]=4 788 B8R0.28 CC(C)=CC#CC(O)=O Amb24670652 [0,0,0,0,0,1|2,0,1]=4 789 B8R0.28 CC(C)=C\C=C\C(O)=O Amb18642414 [0,0,0,0,0,1|2,0,0]=3 790 B8R0.28 CC(C)N\C=C\C(O)=O Amb24623070 [0,0,0,0,0,1|2,0,1]=4 791 B8R0.28 CC(C)O\C=C\C(O)=O Amb25731158 [0,0,0,0,0,1|2,0,1]=4 792 B8R0.28 CC(N)=NN=CC(O)=O Amb24455612 [0,0,0,0,0,1|3,0,0]=4 793 B8R0.28 CC(O)C\C=C\C(O)=O Amb18642771 [0,0,0,0,0,1|1,0,1]=3 794 B8R0.28 CC(O)\C=C\OC(C)=O Amb24686264 [0,0,0,0,0,1|2,0,1]=4 795 B8R0.28 CC(S)\C=C/CC(O)=O Amb18644289 [0,0,0,0,0,1|1,1,1]=4 796 B8R0.28 CC(S)\C=C\CC(O)=O Amb24514919 [0,0,0,0,0,1|1,1,1]=4 797 B8R0.28 CN(C)N\C=C\C(O)=O Amb24383674 [0,0,0,0,0,1|3,0,0]=4 798 B8R0.28 CN(C\C=C\C(=O)O)C Amb15695416 [0,0,0,0,0,1|3,0,0]=4 799 B8R0.28 CS(=O)C\C=C\C(O)=O Amb24586059 [0,0,0,0,0,1|2,0,0]=3 800 B8R0.28 C[C@@H](O)C\C=C\C(O)=O Amb25250610 [0,0,0,0,0,1|1,0,1]=3 801 B8R0.28 NC(=N)S\C=C/C(O)=O Amb22733172 [0,0,0,0,0,1|2,0,0]=3 802 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [0,0,0,0,0,1|1,0,2]=4 803 B8R0.28 NC(=O)NN=CC(N)=O Amb24579018 [0,0,0,0,0,1|3,0,0]=4 804 B8R0.28 NC(=O)NN=CC(O)=O Amb24616453 [0,0,0,0,0,1|2,0,0]=3 805 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [0,0,0,0,0,1|2,0,0]=3 806 B8R0.28 NC(=O)\C=C\CC(N)=O Amb24721870 [0,0,0,0,0,1|2,0,0]=3 807 B8R0.28 NC(=O)\N=C\NC(N)=O Amb24685196 [0,0,0,0,0,1|3,0,0]=4 808 B8R0.28 NC(=S)N\N=C\C(=O)O Amb1396751 [0,0,0,0,0,1|2,1,0]=4 809 B8R0.28 NC(=S)S\C=C\C(=O)O Amb10552410 [0,0,0,0,0,1|1,1,0]=3 810 B8R0.28 OC(=O)C#CCC(O)=O Amb25850643 [0,0,0,0,0,1|0,0,2]=3 811 B8R0.28 OC(=O)C=C=CC(=O)O Amb17593335 [0,0,0,0,0,1|0,0,0]=1 812 B8R0.28 OC(=O)CCC=C(C)C Amb10601609 [0,0,0,0,0,1|2,0,1]=4 813 B8R0.28 OC(=O)CCC=C(F)F Amb25224993 [0,0,0,0,0,1|2,0,1]=4 814 B8R0.28 OC(=O)CCCC(=O)Br Amb24480005 [0,0,0,0,0,1|1,0,2]=4 815 B8R0.28 OC(=O)CCCC(O)=O Amb22351480 [0,0,0,0,0,1|0,0,2]=3 816 B8R0.28 OC(=O)CCCC(O)=O Amb22351829 [0,0,0,0,0,1|0,0,2]=3 817 B8R0.28 OC(=O)CCCP(O)=O Amb24480161 [0,0,0,0,0,1|1,0,2]=4 818 B8R0.28 OC(=O)CCNC(=O)C Amb1104704 [0,0,0,0,0,1|1,0,2]=4 819 B8R0.28 OC(=O)CCSC(=O)C Amb17607685 [0,0,0,0,0,1|1,0,2]=4 820 B8R0.28 OC(=O)CNC=P(O)=O Amb24558051 [0,0,0,0,0,1|1,0,1]=3 821 B8R0.28 OC(=O)CNCP(O)=O Amb24557425 [0,0,0,0,0,1|1,0,2]=4 822 B8R0.28 OC(=O)COCC(=O)Cl Amb25372456 [0,0,0,0,0,1|1,0,2]=4 823 B8R0.28 OC(=O)CSC=C(Cl)Cl Amb24479937 [0,0,0,0,0,1|2,0,1]=4 824 B8R0.28 OC(=O)C\C=C\C(=O)O Amb1154189 [0,0,0,0,0,1|0,0,0]=1 825 B8R0.28 OC(=O)O[Sr]OC(O)=O Amb22353408 [0,0,0,0,0,1|2,0,0]=3 826 B8R0.28 OC(=O)\C=C\OP(O)=O Amb24560361 [0,0,0,0,0,1|1,0,0]=2 827 B8R0.28 OC(=O)\C=N\N=C(/S)\N Amb2567022 [0,0,0,0,0,1|2,1,0]=4 828 B8R0.28 OC(=S)COCC(O)=O Amb22262972 [0,0,0,0,0,1|0,1,2]=4 829 B8R0.28 O[13C](=O)CCC[13C](=O)O Amb17614793 [0,0,0,0,0,1|0,0,2]=3 830 B5R0.1 C/C=C/C(C)=O Amb17940030 [2,0,0,0,0,0|1,0,1]=4 831 B5R0.1 C=C=CC(O)=O Amb24391957 [2,0,0,0,0,0|0,0,1]=3 832 B5R0.1 C=CNC(N)=O Amb25082241 [2,0,0,0,0,0|2,0,0]=4 833 B5R0.1 CC(=O)C=C=C Amb23447108 [2,0,0,0,0,0|1,0,1]=4 834 B5R0.1 CC(=O)CC=O Amb17666764 [2,0,0,0,0,0|1,0,1]=4 835 B5R0.1 CC(=O)NC=C Amb24323579 [2,0,0,0,0,0|2,0,0]=4 836 B5R0.1 CC(=O)OC=C Amb21618930 [2,0,0,0,0,0|2,0,0]=4 837 B5R0.1 CC(=O)OC=C Amb22338143 [2,0,0,0,0,0|2,0,0]=4 838 B5R0.1 CC(=O)OC=C Amb22338476 [2,0,0,0,0,0|2,0,0]=4 839 B5R0.1 CC(=O)OC=C Amb22366845 [2,0,0,0,0,0|2,0,0]=4 840 B5R0.1 CC(=O)OC=O Amb25283525 [2,0,0,0,0,0|2,0,0]=4 841 B5R0.1 CC(=O)O[13CH]=[13CH2] Amb22351356 [2,0,0,0,0,0|2,0,0]=4 842 B5R0.1 CC(=O)\C=C/N Amb25147403 [2,0,0,0,0,0|2,0,0]=4 843 B5R0.1 CC(=O)\C=C\Br Amb25803449 [2,0,0,0,0,0|2,0,0]=4 844 B5R0.1 CC(=O)\C=C\Cl Amb17593099 [2,0,0,0,0,0|2,0,0]=4 845 B5R0.1 CC(=O)\C=C\I Amb25269482 [2,0,0,0,0,0|2,0,0]=4 846 B5R0.1 CC(C)=CC=C Amb22229813 [2,0,0,0,0,0|2,0,0]=4 847 B5R0.1 CC=CC(C)=O Amb24061083 [2,0,0,0,0,0|1,0,1]=4 848 B5R0.1 C\C(\Br)=C\C=O Amb18124620 [2,0,0,0,0,0|2,0,0]=4 849 B5R0.1 C\C(\Cl)=C/C=O Amb18640408 [2,0,0,0,0,0|2,0,0]=4 850 B5R0.1 C\C(\I)=C/C=O Amb25095164 [2,0,0,0,0,0|2,0,0]=4 851 B5R0.1 C\C(\I)=C\C=O Amb24424054 [2,0,0,0,0,0|2,0,0]=4 852 B5R0.1 C\C=C\C(=O)Br Amb25026006 [2,0,0,0,0,0|1,0,1]=4 853 B5R0.1 C\C=C\C([O-])=O Amb22231404 [2,0,0,0,0,0|0,0,2]=4 854 B5R0.1 NC(=O)C=NO Amb25147466 [2,0,0,0,0,0|2,0,0]=4 855 B5R0.1 NC(=O)CC=C Amb17610156 [2,0,0,0,0,0|1,0,1]=4 856 B5R0.1 NC(=O)CC=O Amb25777522 [2,0,0,0,0,0|1,0,1]=4 857 B5R0.1 NC(=O)OC=C Amb17621270 [2,0,0,0,0,0|2,0,0]=4 858 B5R0.1 NC(=O)\C=C/Br Amb25715916 [2,0,0,0,0,0|2,0,0]=4 859 B5R0.1 NC(=O)\C=C\Cl Amb10552376 [2,0,0,0,0,0|2,0,0]=4 860 B5R0.1 N\C=C/C(N)=O Amb22489591 [2,0,0,0,0,0|2,0,0]=4 861 B5R0.1 N\N=C\C(O)=O Amb25703365 [2,0,0,0,0,0|2,0,0]=4 862 B5R0.1 O=C(Cl)\C=C/Br Amb24391538 [2,0,0,0,0,0|2,0,0]=4 863 B5R0.1 O=C(Cl)\C=C\Br Amb24512115 [2,0,0,0,0,0|2,0,0]=4 864 B5R0.1 O=C(Cl)\C=C\Cl Amb25025493 [2,0,0,0,0,0|2,0,0]=4 865 B5R0.1 O=C=CC(=O)C Amb10603952 [2,0,0,0,0,0|1,0,1]=4 866 B5R0.1 O=CC=C(Br)Br Amb25146355 [2,0,0,0,0,0|2,0,0]=4 867 B5R0.1 O=CC=C(Cl)Cl Amb24691205 [2,0,0,0,0,0|2,0,0]=4 868 B5R0.1 OC(=O)C=C=O Amb24671304 [2,0,0,0,0,0|0,0,1]=3 869 B5R0.1 OC(=O)CC=O Amb22169407 [2,0,0,0,0,0|0,0,1]=3 870 B5R0.1 OC(=O)CI=O Amb25146428 [2,0,0,0,0,0|1,0,1]=4 871 B5R0.1 OC(=O)\C=C/Br Amb18644453 [2,0,0,0,0,0|1,0,0]=3 872 B5R0.1 OC(=O)\C=C\F Amb24417763 [2,0,0,0,0,0|1,0,0]=3 873 B5R0.1 OC(=O)\C=C\I Amb20242758 [2,0,0,0,0,0|1,0,0]=3 874 B5R0.1 ON=CC(O)=O Amb25046587 [2,0,0,0,0,0|1,0,0]=3 875 B5R0.1 ONCC(O)=O Amb24120360 [2,0,0,0,0,0|1,0,1]=4 876 B5R0.1 OP(=O)CC=O Amb25706451 [2,0,0,0,0,0|1,0,1]=4 877 B5R0.1 O\N=C/C(=O)O Amb10601571 [2,0,0,0,0,0|1,0,0]=3 878 B5R0.1 O\N=C\C(O)=O Amb20671938 [2,0,0,0,0,0|1,0,0]=3 879 B5R0.1 [N-]=[N+]=CC(O)=O Amb24333367 [2,0,0,0,0,0|2,0,0]=4 880 B5R0.1 [O-]\C=C\C(=O)C Amb15772268 [2,0,0,0,0,0|1,0,1]=4 881 B5R0.1 [O-]\C=C\C(=O)C Amb2228039 [2,0,0,0,0,0|1,0,1]=4 882 B5R0.2 C=C/C=C/C=C Amb17939040 [2,0,0,0,0,0|2,0,0]=4 883 B5R0.2 C=C\C=C/C=O Amb25248524 [2,0,0,0,0,0|1,0,0]=3 884 B5R0.2 CC=C\C=C/Cl Amb25025604 [2,0,0,0,0,0|2,0,0]=4 885 B5R0.2 CC=C\C=C\I Amb24333865 [2,0,0,0,0,0|2,0,0]=4 886 B5R0.2 CN\C=C\C=O Amb24564349 [2,0,0,0,0,0|2,0,0]=4 887 B5R0.2 CS\C=C\C=O Amb25811358 [2,0,0,0,0,0|2,0,0]=4 888 B5R0.2 C\C=C/CC=O Amb24728871 [2,0,0,0,0,0|1,0,1]=4 889 B5R0.2 C\C=C\C=CBr Amb24519249 [2,0,0,0,0,0|2,0,0]=4 890 B5R0.2 C\C=C\C=CCl Amb25025018 [2,0,0,0,0,0|2,0,0]=4 891 B5R0.2 C\C=C\C=CN Amb25025494 [2,0,0,0,0,0|2,0,0]=4 892 B5R0.2 C\C=C\C=C\N Amb25811440 [2,0,0,0,0,0|2,0,0]=4 893 B5R0.2 ClC=C\C=C\Cl Amb24527807 [2,0,0,0,0,0|2,0,0]=4 894 B5R0.2 Cl\C=C\C=C\Cl Amb25102528 [2,0,0,0,0,0|2,0,0]=4 895 B5R0.2 N#C\C=C/C=O Amb24741012 [2,0,0,0,0,0|1,0,1]=4 896 B5R0.2 N#C\C=C\C=O Amb25172387 [2,0,0,0,0,0|1,0,1]=4 897 B5R0.2 N\C=C\CC=O Amb24706738 [2,0,0,0,0,0|1,0,1]=4 898 B5R0.2 O=CC#CC=O Amb25714016 [2,0,0,0,0,0|0,0,2]=4 899 B5R0.2 O=CCCC=O Amb22231966 [2,0,0,0,0,0|0,0,2]=4 900 B5R0.2 O=CC\C=C\Cl Amb24571938 [2,0,0,0,0,0|1,0,1]=4 901 B5R0.2 O=CN\C=C/[S-] Amb25108259 [2,0,0,0,0,0|1,1,0]=4 902 B5R0.2 O=C\C=C\C#C Amb17593013 [2,0,0,0,0,0|1,0,1]=4 903 B5R0.2 O=C\C=C\C=O Amb17593019 [2,0,0,0,0,0|0,0,0]=2 904 B5R0.2 O=C\C=C\CBr Amb18124626 [2,0,0,0,0,0|1,0,1]=4 905 B5R0.2 O=C\C=C\CCl Amb18122401 [2,0,0,0,0,0|1,0,1]=4 906 B5R0.2 O=C\C=C\CF Amb24569288 [2,0,0,0,0,0|1,0,1]=4 907 B5R0.2 OC=C\C=C\O Amb25024941 [2,0,0,0,0,0|0,0,0]=2 908 B5R0.2 OC\C=C\C=O Amb24356008 [2,0,0,0,0,0|0,0,1]=3 909 B5R0.2 OC\C=C\CO Amb22733427 [2,0,0,0,0,0|0,0,2]=4 910 B5R0.2 ON=CC=NO Amb25209326 [2,0,0,0,0,0|2,0,0]=4 911 B5R0.2 ON=CCC=O Amb25744688 [2,0,0,0,0,0|1,0,1]=4 912 B5R0.2 ON=CNC=O Amb25130798 [2,0,0,0,0,0|2,0,0]=4 913 B5R0.2 O\C=C\CCO Amb24333503 [2,0,0,0,0,0|0,0,2]=4 914 B5R0.2 O\N=C\CC=O Amb24640219 [2,0,0,0,0,0|1,0,1]=4 915 B7R0.2 C=C(CC(O)=O)C=C Amb24561923 [1,1,0,0,0,0|1,0,1]=4 916 B7R0.2 CC(=CC(O)=O)C#C Amb25687994 [1,1,0,0,0,0|1,0,1]=4 917 B7R0.2 CC(=CC(O)=O)C=O Amb25378040 [1,1,0,0,0,0|0,0,0]=2 918 B7R0.2 CC(=CC(O)=O)OC Amb24699194 [1,1,0,0,0,0|2,0,0]=4 919 B7R0.2 CC(=O)CC(=S)C=O Amb25142738 [1,1,0,0,0,0|1,0,1]=4 920 B7R0.2 CC(=O)OC(=C)C=O Amb25695435 [1,1,0,0,0,0|2,0,0]=4 921 B7R0.2 CC(=O)\C=C(/Cl)\C=C Amb25236926 [1,1,0,0,0,0|2,0,0]=4 922 B7R0.2 CC(=O)\C=C(/O)\C=C Amb24339287 [1,1,0,0,0,0|2,0,0]=4 923 B7R0.2 CC(=O)\C=C(\Br)/C=C Amb24505183 [1,1,0,0,0,0|2,0,0]=4 924 B7R0.2 CC(=O)\C=C(\C)/C=O Amb18641689 [1,1,0,0,0,0|1,0,0]=3 925 B7R0.2 CC(=O)\C=C(\O)/C=C Amb24553056 [1,1,0,0,0,0|2,0,0]=4 926 B7R0.2 CC(C)=CC(=O)C=O Amb24418075 [1,1,0,0,0,0|2,0,0]=4 927 B7R0.2 CC(CC(O)=O)=CCl Amb25802122 [1,1,0,0,0,0|1,0,1]=4 928 B7R0.2 CC(CC(O)=O)C=O Amb25836603 [1,1,0,0,0,0|0,0,2]=4 929 B7R0.2 CC(CO)=CC(O)=O Amb24689918 [1,1,0,0,0,0|0,0,1]=3 930 B7R0.2 CC(CS)=CC(O)=O Amb25073137 [1,1,0,0,0,0|0,1,1]=4 931 B7R0.2 CCC(F)=CC(O)=O Amb24674138 [1,1,0,0,0,0|1,0,1]=4 932 B7R0.2 CN(CC(O)=O)C=O Amb18951578 [1,1,0,0,0,0|1,0,1]=4 933 B7R0.2 C[C@@H](O)\C=C(/C)\C=O Amb25827172 [1,1,0,0,0,0|1,0,1]=4 934 B7R0.2 C\C(=C/C(N)=O)\C=C Amb24523763 [1,1,0,0,0,0|2,0,0]=4 935 B7R0.2 C\C(=C/C(O)=O)\C=O Amb25138216 [1,1,0,0,0,0|0,0,0]=2 936 B7R0.2 C\C(=C\C(O)=O)\C=C Amb18641686 [1,1,0,0,0,0|1,0,0]=3 937 B7R0.2 C\C(=C\C(O)=O)\C=O Amb24579433 [1,1,0,0,0,0|0,0,0]=2 938 B7R0.2 C\C(\C=C)=C/C(C)=O Amb25234874 [1,1,0,0,0,0|2,0,0]=4 939 B7R0.2 C\C(\C=O)=C\C(C)=C Amb18641616 [1,1,0,0,0,0|2,0,0]=4 940 B7R0.2 C\C(\CBr)=C/C(O)=O Amb23538399 [1,1,0,0,0,0|1,0,1]=4 941 B7R0.2 C\C(\CC(O)=O)=C\C Amb24481339 [1,1,0,0,0,0|1,0,1]=4 942 B7R0.2 C\C(\CC(O)=O)=N/O Amb25064289 [1,1,0,0,0,0|1,0,1]=4 943 B7R0.2 C\C(\CC)=C\C(O)=O Amb18281014 [1,1,0,0,0,0|1,0,1]=4 944 B7R0.2 C\C(\CO)=C/C(C)=O Amb25240045 [1,1,0,0,0,0|1,0,1]=4 945 B7R0.2 C\C(\CO)=C/C(O)=O Amb18641871 [1,1,0,0,0,0|0,0,1]=3 946 B7R0.2 C\C(\CO)=C\C(C)=O Amb24518297 [1,1,0,0,0,0|1,0,1]=4 947 B7R0.2 C\C=C(\Cl)/CC(O)=O Amb25174797 [1,1,0,0,0,0|1,0,1]=4 948 B7R0.2 NC(CO)=CC(O)=O Amb24628694 [1,1,0,0,0,0|0,0,1]=3 949 B7R0.2 NCC(Br)=CC(O)=O Amb25288089 [1,1,0,0,0,0|1,0,1]=4 950 B7R0.2 NCC(Cl)=CC(O)=O Amb25368348 [1,1,0,0,0,0|1,0,1]=4 951 B7R0.2 NC\C(\Cl)=C\C(O)=O Amb24375873 [1,1,0,0,0,0|1,0,1]=4 952 B7R0.2 N[C@H](CC(O)=O)C=O Amb24643781 [1,1,0,0,0,0|0,0,2]=4 953 B7R0.2 OC(=O)CC(=O)NO Amb24444078 [1,1,0,0,0,0|1,0,1]=4 954 B7R0.2 OC(=O)CC(F)C=O Amb25114270 [1,1,0,0,0,0|0,0,2]=4 955 B7R0.2 OC(=O)CN(O)C=O Amb25367291 [1,1,0,0,0,0|1,0,1]=4 956 B7R0.2 OC(=O)\C=C(/Cl)\C=O Amb24452824 [1,1,0,0,0,0|0,0,0]=2 957 B7R0.2 OC(=O)\C=C(\Br)/CCl Amb24355885 [1,1,0,0,0,0|1,0,1]=4 958 B7R0.2 OC(=O)\C=C(\Cl)/CBr Amb25336694 [1,1,0,0,0,0|1,0,1]=4 959 B7R0.3 CC(CO)\C=C\C=O Amb24744749 [1,1,0,0,0,0|1,0,1]=4 960 B7R0.3 CCC(=C)\C=C\C=O Amb24669094 [1,1,0,0,0,0|2,0,0]=4 961 B7R0.3 CCC(=O)\C=C/C=O Amb25770041 [1,1,0,0,0,0|1,0,0]=3 962 B7R0.3 CCC(=O)\C=C\C=C Amb25372992 [1,1,0,0,0,0|2,0,0]=4 963 B7R0.3 CCC(=O)\C=C\C=O Amb18641682 [1,1,0,0,0,0|1,0,0]=3 964 B7R0.3 CCC(=O)\C=C\CO Amb24550059 [1,1,0,0,0,0|1,0,1]=4 965 B7R0.3 CCC(\C=C\C=O)O Amb16233610 [1,1,0,0,0,0|1,0,1]=4 966 B7R0.3 CC[C@@H](O)\C=C\C=O Amb24678734 [1,1,0,0,0,0|1,0,1]=4 967 B7R0.3 CC\C=C/C(=O)OC Amb10071549 [1,1,0,0,0,0|1,0,1]=4 968 B7R0.3 CNC(=O)\C=C\C=C Amb10552649 [1,1,0,0,0,0|2,0,0]=4 969 B7R0.3 CN\C=C\C(=O)OC Amb25236701 [1,1,0,0,0,0|2,0,0]=4 970 B7R0.3 COC(=O)CCC=O Amb18124259 [1,1,0,0,0,0|0,0,2]=4 971 B7R0.3 COC(=O)CNC=O Amb22000868 [1,1,0,0,0,0|1,0,1]=4 972 B7R0.3 COC(=O)C\C=C\I Amb24531368 [1,1,0,0,0,0|1,0,1]=4 973 B7R0.3 COC(=O)\C=C/C=O Amb24483047 [1,1,0,0,0,0|0,0,0]=2 974 B7R0.3 COC(=O)\C=C/CBr Amb10068684 [1,1,0,0,0,0|1,0,1]=4 975 B7R0.3 COC(=O)\C=C\C#N Amb18641239 [1,1,0,0,0,0|1,0,1]=4 976 B7R0.3 COC(=O)\C=C\C=C Amb22350484 [1,1,0,0,0,0|1,0,0]=3 977 B7R0.3 COC(=O)\C=C\C=O Amb18641759 [1,1,0,0,0,0|0,0,0]=2 978 B7R0.3 COC(=O)\C=C\CN Amb24117125 [1,1,0,0,0,0|1,0,1]=4 979 B7R0.3 COC(=O)\C=C\CO Amb25081886 [1,1,0,0,0,0|0,0,1]=3 980 B7R0.3 COC(=O)\C=C\CS Amb25366950 [1,1,0,0,0,0|0,1,1]=4 981 B7R0.3 COC(=O)\C=C\SC Amb24483182 [1,1,0,0,0,0|2,0,0]=4 982 B7R0.3 COC(C)\C=C/C=O Amb25770506 [1,1,0,0,0,0|1,0,1]=4 983 B7R0.3 CO[C@@H](C)\C=C\C=O Amb25043129 [1,1,0,0,0,0|1,0,1]=4 984 B7R0.3 CO\C(\C)=C\CC=O Amb25365197 [1,1,0,0,0,0|1,0,1]=4 985 B7R0.3 CO\C=C\C(=O)CO Amb25240406 [1,1,0,0,0,0|2,0,0]=4 986 B7R0.3 CSC(=O)\C=C/C=O Amb25857347 [1,1,0,0,0,0|0,1,0]=3 987 B7R0.3 CSC(=O)\C=C\C=O Amb24680317 [1,1,0,0,0,0|0,1,0]=3 988 B7R0.3 C\C(=C/Br)\C=C\C=O Amb24483114 [1,1,0,0,0,0|2,0,0]=4 989 B7R0.3 C\C(=C/Cl)\C=C\C=O Amb25742912 [1,1,0,0,0,0|2,0,0]=4 990 B7R0.3 C\C=C(/Br)\C=C\C=O Amb25768073 [1,1,0,0,0,0|2,0,0]=4 991 B7R0.3 C\C=C(\C)/C=C/C=O Amb24483010 [1,1,0,0,0,0|2,0,0]=4 992 B7R0.3 C\C=C(\C)/C=CC=O Amb24585180 [1,1,0,0,0,0|2,0,0]=4 993 B7R0.3 C\C=C\C=C(/C)\C=O Amb25311292 [1,1,0,0,0,0|2,0,0]=4 994 B7R0.3 C\C=C\C=C(\C)/C=O Amb18124218 [1,1,0,0,0,0|2,0,0]=4 995 B7R0.3 NC\C=C\C(=O)NO Amb25676457 [1,1,0,0,0,0|1,0,1]=4 996 B7R0.3 O=CC(Cl)=CCC=O Amb24745897 [1,1,0,0,0,0|1,0,1]=4 997 B7R0.3 O=C\C=C/C(/Cl)=C/Cl Amb24474485 [1,1,0,0,0,0|2,0,0]=4 998 B7R0.3 O=C\C=C/C(=O)C=O Amb25743044 [1,1,0,0,0,0|0,0,1]=3 999 B7R0.3 O=C\C=C\C(Br)C=O Amb24483154 [1,1,0,0,0,0|1,0,1]=4 1000 B7R0.3 O=C\C=C\C(Cl)C=O Amb25173630 [1,1,0,0,0,0|1,0,1]=4 1001 B7R0.3 OCC(=O)\C=C/C=O Amb18641763 [1,1,0,0,0,0|0,0,0]=2 1002 B7R0.3 OCC(=O)\C=C\C=O Amb24574003 [1,1,0,0,0,0|0,0,0]=2 1003 B7R0.3 OCC(O)\C=C\C=O Amb24611201 [1,1,0,0,0,0|0,0,2]=4 1004 B7R0.3 O\C=C\C=C(/Br)\C=O Amb25690541 [1,1,0,0,0,0|1,0,0]=3 1005 B7R0.3 O\C=C\C=C(/Cl)\C=O Amb25683477 [1,1,0,0,0,0|1,0,0]=3 1006 B7R0.4 Br\C=C/C=C/C(=O)C Amb10066945 [1,1,0,0,0,0|2,0,0]=4 1007 B7R0.4 C#C\C=C\CC(O)=O Amb24409578 [1,1,0,0,0,0|1,0,1]=4 1008 B7R0.4 C=CC\C=C\C(O)=O Amb18641681 [1,1,0,0,0,0|1,0,0]=3 1009 B7R0.4 C=C\C=C\CC(N)=O Amb25848874 [1,1,0,0,0,0|2,0,0]=4 1010 B7R0.4 CC#C\C=C\C(O)=O Amb25188432 [1,1,0,0,0,0|1,0,1]=4 1011 B7R0.4 CC(=C)C\C=C\C=O Amb18640955 [1,1,0,0,0,0|2,0,0]=4 1012 B7R0.4 CC(=O)C=CC=CBr Amb24081602 [1,1,0,0,0,0|2,0,0]=4 1013 B7R0.4 CC(=O)C\C=C\C=C Amb24711717 [1,1,0,0,0,0|2,0,0]=4 1014 B7R0.4 CC(=O)C\C=C\CO Amb24583096 [1,1,0,0,0,0|1,0,1]=4 1015 B7R0.4 CC(=O)N\C=C\C=C Amb25709129 [1,1,0,0,0,0|2,0,0]=4 1016 B7R0.4 CC(=O)N\C=C\C=O Amb18124245 [1,1,0,0,0,0|1,0,0]=3 1017 B7R0.4 CC(=O)O/C=C/C=C Amb17673774 [1,1,0,0,0,0|2,0,0]=4 1018 B7R0.4 CC(=O)O\C=C\C=O Amb25237598 [1,1,0,0,0,0|1,0,0]=3 1019 B7R0.4 CC(=O)SC\C=C\O Amb24371969 [1,1,0,0,0,0|1,0,1]=4 1020 B7R0.4 CC(=O)S\C=C\C=O Amb24668965 [1,1,0,0,0,0|1,0,0]=3 1021 B7R0.4 CC(=O)S\C=C\CO Amb25098660 [1,1,0,0,0,0|1,0,1]=4 1022 B7R0.4 CC(=O)\C=C\C=C/Cl Amb25745342 [1,1,0,0,0,0|2,0,0]=4 1023 B7R0.4 CC(=O)\C=C\C=CBr Amb24627229 [1,1,0,0,0,0|2,0,0]=4 1024 B7R0.4 CC(=O)\C=C\C=CCl Amb25179030 [1,1,0,0,0,0|2,0,0]=4 1025 B7R0.4 CC(=O)\C=C\C=C\Br Amb25675765 [1,1,0,0,0,0|2,0,0]=4 1026 B7R0.4 CC(O)C\C=C\C=O Amb18641799 [1,1,0,0,0,0|1,0,1]=4 1027 B7R0.4 CC=C=CCC(O)=O Amb25118481 [1,1,0,0,0,0|1,0,1]=4 1028 B7R0.4 CCS\C=C/C(O)=O Amb25200140 [1,1,0,0,0,0|1,0,1]=4 1029 B7R0.4 CCS\C=C\C(O)=O Amb18642902 [1,1,0,0,0,0|1,0,1]=4 1030 B7R0.4 CNC\C=C\C(O)=O Amb25368293 [1,1,0,0,0,0|1,0,1]=4 1031 B7R0.4 COC\C=C\C(C)=O Amb25066961 [1,1,0,0,0,0|1,0,1]=4 1032 B7R0.4 COC\C=C\C(O)=O Amb18296423 [1,1,0,0,0,0|0,0,1]=3 1033 B7R0.4 CON\C=C\C(O)=O Amb24333349 [1,1,0,0,0,0|1,0,0]=3 1034 B7R0.4 CO\C=C\CC(O)=O Amb25174889 [1,1,0,0,0,0|0,0,1]=3 1035 B7R0.4 CSC\C=C\C(O)=O Amb18291627 [1,1,0,0,0,0|0,1,1]=4 1036 B7R0.4 C[C@@H](O)C\C=C\C=O Amb25310809 [1,1,0,0,0,0|1,0,1]=4 1037 B7R0.4 C\C(\Br)=C/C=C/C=O Amb25309575 [1,1,0,0,0,0|2,0,0]=4 1038 B7R0.4 C\C(\Br)=C\C=CCO Amb24334089 [1,1,0,0,0,0|2,0,0]=4 1039 B7R0.4 C\C(\O)=C\C=C/C=O Amb25096071 [1,1,0,0,0,0|1,0,0]=3 1040 B7R0.4 C\C(\O)=C\C=CC=O Amb24741180 [1,1,0,0,0,0|1,0,0]=3 1041 B7R0.4 C\C=C/C=C\C(C)=O Amb24538831 [1,1,0,0,0,0|2,0,0]=4 1042 B7R0.4 C\C=C\C#CC(=O)O Amb17593127 [1,1,0,0,0,0|1,0,1]=4 1043 B7R0.4 C\C=C\C=C\C(=O)C Amb17593137 [1,1,0,0,0,0|2,0,0]=4 1044 B7R0.4 C\C=C\C=C\C(=O)Cl Amb17142857 [1,1,0,0,0,0|2,0,0]=4 1045 B7R0.4 C\C=C\C=C\C(=O)N Amb17142853 [1,1,0,0,0,0|2,0,0]=4 1046 B7R0.4 C\C=C\C=C\C(=O)O Amb17784698 [1,1,0,0,0,0|1,0,0]=3 1047 B7R0.4 C\C=C\C=C\C([O-])=O Amb19957956 [1,1,0,0,0,0|1,0,1]=4 1048 B7R0.4 C\C=C\C=C\C([O-])=O Amb22735151 [1,1,0,0,0,0|1,0,1]=4 1049 B7R0.4 C\C=C\CCC(=O)O Amb10071500 [1,1,0,0,0,0|1,0,1]=4 1050 B7R0.4 N#CC\C=C\C(O)=O Amb18123863 [1,1,0,0,0,0|1,0,1]=4 1051 B7R0.4 N#C\C=C/CC(O)=O Amb18641630 [1,1,0,0,0,0|1,0,1]=4 1052 B7R0.4 NCC\C=C\C(O)=O Amb25266868 [1,1,0,0,0,0|1,0,1]=4 1053 B7R0.4 NC\C=C\CC(O)=O Amb18641825 [1,1,0,0,0,0|1,0,1]=4 1054 B7R0.4 O=CC=CC=C(Cl)Cl Amb24559244 [1,1,0,0,0,0|2,0,0]=4 1055 B7R0.4 O=CCCCC(=O)O Amb17593198 [1,1,0,0,0,0|0,0,2]=4 1056 B7R0.4 OC(=O)CCNC=O Amb18290434 [1,1,0,0,0,0|0,0,2]=4 1057 B7R0.4 OC(=O)CC\C=C\Br Amb25238247 [1,1,0,0,0,0|1,0,1]=4 1058 B7R0.4 OC(=O)CC\C=C\Cl Amb25803087 [1,1,0,0,0,0|1,0,1]=4 1059 B7R0.4 OC(=O)CSCC=O Amb24628311 [1,1,0,0,0,0|0,0,2]=4 1060 B7R0.4 OC(=O)CS\C=C/Cl Amb24693896 [1,1,0,0,0,0|1,0,1]=4 1061 B7R0.4 OC(=O)CS\C=C\Cl Amb18125504 [1,1,0,0,0,0|1,0,1]=4 1062 B7R0.4 OC(=O)C\C=C/CS Amb18124361 [1,1,0,0,0,0|0,1,1]=4 1063 B7R0.4 OC(=O)C\C=C\C=C Amb17593152 [1,1,0,0,0,0|1,0,0]=3 1064 B7R0.4 OC(=O)C\C=C\C=O Amb24437944 [1,1,0,0,0,0|0,0,0]=2 1065 B7R0.4 OC(=O)C\C=C\CBr Amb18125611 [1,1,0,0,0,0|1,0,1]=4 1066 B7R0.4 OC(=O)C\C=C\CCl Amb18124409 [1,1,0,0,0,0|1,0,1]=4 1067 B7R0.4 OC(=O)C\C=C\CS Amb24693621 [1,1,0,0,0,0|0,1,1]=4 1068 B7R0.4 OC(=O)\C=C\C=CCl Amb24562254 [1,1,0,0,0,0|1,0,0]=3 1069 B7R0.4 OC(=O)\C=C\CCBr Amb25702661 [1,1,0,0,0,0|1,0,1]=4 1070 B7R0.4 OCC\C=C\C(O)=O Amb21929352 [1,1,0,0,0,0|0,0,1]=3 1071 B7R0.4 OC\C=C\C=C(Cl)Cl Amb24706187 [1,1,0,0,0,0|2,0,0]=4 1072 B7R0.5 C=C(CC=C)C(O)=O Amb18641687 [1,1,0,0,0,0|1,0,1]=4 1073 B7R0.5 C=C\C=C(/Cl)\C(O)=O Amb18642910 [1,1,0,0,0,0|1,0,0]=3 1074 B7R0.5 C=C\C=C(/F)\C(O)=O Amb24402288 [1,1,0,0,0,0|1,0,0]=3 1075 B7R0.5 C=C\C=C(\N)/C(O)=O Amb25306109 [1,1,0,0,0,0|1,0,0]=3 1076 B7R0.5 CC(=C)C(F)=CC=O Amb25328763 [1,1,0,0,0,0|2,0,0]=4 1077 B7R0.5 CC(=C)\C(\F)=C\C=O Amb25253549 [1,1,0,0,0,0|2,0,0]=4 1078 B7R0.5 CC(=C=CC)C(O)=O Amb24481354 [1,1,0,0,0,0|1,0,1]=4 1079 B7R0.5 CC(=CC#N)C(O)=O Amb24475374 [1,1,0,0,0,0|1,0,1]=4 1080 B7R0.5 CC(=CC=O)C(C)=C Amb25254165 [1,1,0,0,0,0|2,0,0]=4 1081 B7R0.5 CC(=CC=O)C(N)=O Amb24548847 [1,1,0,0,0,0|1,0,0]=3 1082 B7R0.5 CC(=CCBr)C(O)=O Amb24551921 [1,1,0,0,0,0|1,0,1]=4 1083 B7R0.5 CC(=CCCl)C(O)=O Amb25114258 [1,1,0,0,0,0|1,0,1]=4 1084 B7R0.5 CC(=CCN)C(O)=O Amb25845292 [1,1,0,0,0,0|1,0,1]=4 1085 B7R0.5 CC(=CCO)C(O)=O Amb24730294 [1,1,0,0,0,0|0,0,1]=3 1086 B7R0.5 CC(=O)C(=C)\C=C\C Amb25712751 [1,1,0,0,0,0|2,0,0]=4 1087 B7R0.5 CC(=O)C(=O)CC=O Amb24524264 [1,1,0,0,0,0|1,0,1]=4 1088 B7R0.5 CC(=O)C(=O)\C=C\C Amb24625395 [1,1,0,0,0,0|2,0,0]=4 1089 B7R0.5 CC(=O)C(=O)\C=C\[O-] Amb25340571 [1,1,0,0,0,0|1,0,1]=4 1090 B7R0.5 CC(=O)\C(\C)=C/C=O Amb18641685 [1,1,0,0,0,0|1,0,0]=3 1091 B7R0.5 CC(=O)\C(\C)=C\C=C Amb24518382 [1,1,0,0,0,0|2,0,0]=4 1092 B7R0.5 CC(=O)\C(\Cl)=C\C=C Amb24594261 [1,1,0,0,0,0|2,0,0]=4 1093 B7R0.5 CC(C=NO)C(O)=O Amb24616398 [1,1,0,0,0,0|1,0,1]=4 1094 B7R0.5 CC\C=C(\Br)/C(O)=O Amb18125610 [1,1,0,0,0,0|1,0,1]=4 1095 B7R0.5 CC\C=C(\F)/C(O)=O Amb25326985 [1,1,0,0,0,0|1,0,1]=4 1096 B7R0.5 CC\C=C(\N)/C(O)=O Amb24349496 [1,1,0,0,0,0|1,0,1]=4 1097 B7R0.5 CO\C=C(\Cl)/C(O)=O Amb24385677 [1,1,0,0,0,0|2,0,0]=4 1098 B7R0.5 CO\C=C(\F)/C(O)=O Amb22641708 [1,1,0,0,0,0|2,0,0]=4 1099 B7R0.5 C[C@@H](NC=O)C(O)=O Amb22746684 [1,1,0,0,0,0|1,0,1]=4 1100 B7R0.5 C\C(=C/C#C)\C(O)=O Amb24472639 [1,1,0,0,0,0|1,0,1]=4 1101 B7R0.5 C\C(=C/C=C)\C(O)=O Amb25258956 [1,1,0,0,0,0|1,0,0]=3 1102 B7R0.5 C\C(=C/CBr)\C(O)=O Amb24433947 [1,1,0,0,0,0|1,0,1]=4 1103 B7R0.5 C\C(=C/CCl)\C(O)=O Amb25844891 [1,1,0,0,0,0|1,0,1]=4 1104 B7R0.5 C\C(=C/CO)\C(C)=O Amb25188393 [1,1,0,0,0,0|1,0,1]=4 1105 B7R0.5 C\C(=C/CO)\C(O)=O Amb18641873 [1,1,0,0,0,0|0,0,1]=3 1106 B7R0.5 C\C(=C/OC)\C(O)=O Amb18641867 [1,1,0,0,0,0|2,0,0]=4 1107 B7R0.5 C\C=C\C(=O)C(O)=O Amb24568283 [1,1,0,0,0,0|1,0,0]=3 1108 B7R0.5 C\C=C\C(C)C(O)=O Amb18641786 [1,1,0,0,0,0|1,0,1]=4 1109 B7R0.5 C\C=C\C(N)C(O)=O Amb24481451 [1,1,0,0,0,0|1,0,1]=4 1110 B7R0.5 C\C=C\C(O)C(O)=O Amb24481382 [1,1,0,0,0,0|1,0,1]=4 1111 B7R0.5 C\C=C\[C@@H](C)C(O)=O Amb25719907 [1,1,0,0,0,0|1,0,1]=4 1112 B7R0.5 C\C=C\[C@H](C)C(O)=O Amb24481336 [1,1,0,0,0,0|1,0,1]=4 1113 B7R0.5 N=C(NC=O)S(O)=O Amb25167503 [1,1,0,0,0,0|2,0,0]=4 1114 B7R0.5 NC(\C=C\Cl)C(O)=O Amb24483058 [1,1,0,0,0,0|1,0,1]=4 1115 B7R0.5 NC\C=C(/Br)\C(O)=O Amb24483175 [1,1,0,0,0,0|1,0,1]=4 1116 B7R0.5 NC\C=C(\Br)/C(O)=O Amb24627030 [1,1,0,0,0,0|1,0,1]=4 1117 B7R0.5 NC\C=C(\Cl)/C(O)=O Amb25231611 [1,1,0,0,0,0|1,0,1]=4 1118 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22746780 [1,1,0,0,0,0|0,0,2]=4 1119 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22748768 [1,1,0,0,0,0|0,0,2]=4 1120 B7R0.5 N[C@H](\C=C\Cl)C(O)=O Amb25230190 [1,1,0,0,0,0|1,0,1]=4 1121 B7R0.5 O=CCC(C(=O)O)N Amb16232081 [1,1,0,0,0,0|0,0,2]=4 1122 B7R0.5 O=CNC(C(=O)O)C Amb1144629 [1,1,0,0,0,0|1,0,1]=4 1123 B7R0.5 OC(=O)C(=O)CCO Amb25677024 [1,1,0,0,0,0|0,0,2]=4 1124 B7R0.5 OC(=O)C(=O)\C=C\O Amb24699120 [1,1,0,0,0,0|0,0,0]=2 1125 B7R0.5 OC(=O)C(Cl)=CCBr Amb24621021 [1,1,0,0,0,0|1,0,1]=4 1126 B7R0.5 OC(=O)C(Cl)=CCCl Amb25836746 [1,1,0,0,0,0|1,0,1]=4 1127 B7R0.5 OC(=O)C(O)=CC=O Amb25339531 [1,1,0,0,0,0|0,0,0]=2 1128 B7R0.5 OC(=O)\C(\Br)=C/CO Amb24692651 [1,1,0,0,0,0|0,0,1]=3 1129 B7R0.5 OC(=O)\C(\Br)=C\C=O Amb25242509 [1,1,0,0,0,0|0,0,0]=2 1130 B7R0.5 OC(=O)\C(\Cl)=C/CO Amb24598039 [1,1,0,0,0,0|0,0,1]=3 1131 B7R0.5 OC(=O)\C(\F)=C/CO Amb25737076 [1,1,0,0,0,0|0,0,1]=3 1132 B7R0.5 OC(=O)\C(\O)=C\C=O Amb25082413 [1,1,0,0,0,0|0,0,0]=2 1133 B7R0.5 OC(CC=O)C(O)=O Amb25225249 [1,1,0,0,0,0|0,0,2]=4 1134 B7R0.5 [N-]=[N+]=CC(=O)C(O)=O Amb25760149 [1,1,0,0,0,0|2,0,0]=4 1135 B7R0.8 OC\C=C\S(O)(=O)=O Amb25802796 [1,1,0,0,0,0|1,0,1]=4 1136 B7R0.8 OP(O)(=O)\C=C\C=O Amb24612131 [1,1,0,0,0,0|1,0,0]=3 1137 B7R0.8 OS(=O)(=O)\C=C\C=O Amb25662826 [1,1,0,0,0,0|1,0,0]=3 1138 B7R0.9 OC(=O)CS(=O)(=O)O Amb16232248 [0,1,0,0,1,0|1,0,1]=4 1139 B7R0.16 BrC(C(=O)O)C(=O)O Amb17594708 [0,1,0,0,1,0|0,0,1]=3 1140 B7R0.16 C=C(C(O)=O)C(O)=O Amb24481368 [0,1,0,0,1,0|0,0,0]=2 1141 B7R0.16 CC(=C(C(=O)O)Br)C Amb17594579 [0,1,0,0,1,0|2,0,0]=4 1142 B7R0.16 CC(=C(C(=O)O)C)C Amb17593186 [0,1,0,0,1,0|2,0,0]=4 1143 B7R0.16 CC(=C(N)O)C(C)=O Amb24741192 [0,1,0,0,1,0|2,0,0]=4 1144 B7R0.16 CC(=O)C(=O)C(O)=O Amb24101563 [0,1,0,0,1,0|1,0,0]=3 1145 B7R0.16 CC(=O)C(=S)C(C)=O Amb24588939 [0,1,0,0,1,0|2,0,0]=4 1146 B7R0.16 CC(=O)C(N)C(O)=O Amb21962887 [0,1,0,0,1,0|1,0,1]=4 1147 B7R0.16 CC(=O)C(S)=C(C)O Amb25327947 [0,1,0,0,1,0|2,0,0]=4 1148 B7R0.16 CC(=O)\C(\F)=C(\C)/O Amb24571214 [0,1,0,0,1,0|2,0,0]=4 1149 B7R0.16 CC(C(=O)O)C(=O)C Amb10601660 [0,1,0,0,1,0|1,0,1]=4 1150 B7R0.16 CC(C(O)=O)=C(C)Br Amb24557990 [0,1,0,0,1,0|2,0,0]=4 1151 B7R0.16 CC(C(O)=O)=C(C)Cl Amb24481381 [0,1,0,0,1,0|2,0,0]=4 1152 B7R0.16 CC(C(O)=O)=C(C)N Amb24527948 [0,1,0,0,1,0|2,0,0]=4 1153 B7R0.16 CC(C(O)=O)=C(Cl)Cl Amb24373832 [0,1,0,0,1,0|2,0,0]=4 1154 B7R0.16 CC(C(O)=O)=C(F)F Amb24702881 [0,1,0,0,1,0|2,0,0]=4 1155 B7R0.16 CC(C(O)=O)S(O)=O Amb25680146 [0,1,0,0,1,0|1,0,1]=4 1156 B7R0.16 CC(C)=C(Cl)C(O)=O Amb18642954 [0,1,0,0,1,0|2,0,0]=4 1157 B7R0.16 CC(C)=C(F)C(O)=O Amb20669103 [0,1,0,0,1,0|2,0,0]=4 1158 B7R0.16 CC(C)=C(S)C(O)=O Amb25360161 [0,1,0,0,1,0|2,0,0]=4 1159 B7R0.16 CC(Cl)=C(Cl)C(O)=O Amb25272743 [0,1,0,0,1,0|2,0,0]=4 1160 B7R0.16 CC(O)C(=O)C(O)=O Amb24481396 [0,1,0,0,1,0|1,0,1]=4 1161 B7R0.16 C\C(\C(O)=O)=C(\C)/Br Amb18124498 [0,1,0,0,1,0|2,0,0]=4 1162 B7R0.16 C\C(\O)=C(\N)/C(O)=O Amb25320750 [0,1,0,0,1,0|1,0,0]=3 1163 B7R0.16 N=C(C(O)=O)C(O)=O Amb24334530 [0,1,0,0,1,0|0,0,0]=2 1164 B7R0.16 NC(=O)C(=O)C(O)=O Amb25344375 [0,1,0,0,1,0|1,0,0]=3 1165 B7R0.16 NC(=O)C(Cl)C(O)=O Amb25756168 [0,1,0,0,1,0|1,0,1]=4 1166 B7R0.16 NC(=O)C(F)C(O)=O Amb25376646 [0,1,0,0,1,0|1,0,1]=4 1167 B7R0.16 NC(=O)C(N)C(O)=O Amb24552728 [0,1,0,0,1,0|1,0,1]=4 1168 B7R0.16 NC(=O)C(O)C(O)=O Amb24548669 [0,1,0,0,1,0|1,0,1]=4 1169 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,1,0,0,1,0|0,0,1]=3 1170 B7R0.16 NC(C(O)=O)S(O)=O Amb24464759 [0,1,0,0,1,0|1,0,1]=4 1171 B7R0.16 O=C(C(=O)C)C(=O)C Amb17593178 [0,1,0,0,1,0|2,0,0]=4 1172 B7R0.16 OC(=O)C(=O)C(O)=O Amb18641943 [0,1,0,0,1,0|0,0,0]=2 1173 B7R0.16 OC(=O)C(=O)C(O)=O Amb22230802 [0,1,0,0,1,0|0,0,0]=2 1174 B7R0.16 OC(=O)C(=S)C(O)=O Amb24544781 [0,1,0,0,1,0|0,0,0]=2 1175 B7R0.16 OC(=O)C(=S)C(S)=S Amb24635391 [0,1,0,0,1,0|0,2,0]=4 1176 B7R0.16 OC(=O)C(Cl)=C(Cl)Br Amb25365980 [0,1,0,0,1,0|2,0,0]=4 1177 B7R0.16 OC(=O)C(Cl)=C(F)F Amb24758750 [0,1,0,0,1,0|2,0,0]=4 1178 B7R0.16 OC(=O)C(Cl)C(O)=O Amb18643353 [0,1,0,0,1,0|0,0,1]=3 1179 B7R0.16 OC(=O)C(F)=C(Cl)Cl Amb25732891 [0,1,0,0,1,0|2,0,0]=4 1180 B7R0.16 OC(=O)C(F)=C(F)Cl Amb24628494 [0,1,0,0,1,0|2,0,0]=4 1181 B7R0.16 OC(=O)C(F)C(O)=O Amb24055884 [0,1,0,0,1,0|0,0,1]=3 1182 B7R0.16 OC(=O)\C(\F)=C(/F)\Cl Amb25265638 [0,1,0,0,1,0|2,0,0]=4 1183 B7R0.16 OC(C(=O)O)C(=O)O Amb1215315 [0,1,0,0,1,0|0,0,1]=3 1184 B7R0.16 OC(C(O)=O)S(O)=O Amb24551214 [0,1,0,0,1,0|1,0,1]=4 1185 B7R0.16 [O-]C(=O)C(=O)C([O-])=O Amb22234835 [0,1,0,0,1,0|0,0,2]=4 1186 B9R0.1 C=CC(=O)N\C=C\C(O)=O Amb24649046 [0,1,0,0,0,1|1,0,0]=3 1187 B9R0.1 CC(=C)C\C=C\C(=O)OC Amb24657689 [0,1,0,0,0,1|2,0,0]=4 1188 B9R0.1 CC(=C)\C=C\CC(=O)OC Amb24712606 [0,1,0,0,0,1|2,0,0]=4 1189 B9R0.1 CC(=O)C=C=CC(=O)OC Amb25187269 [0,1,0,0,0,1|1,0,0]=3 1190 B9R0.1 CC(=O)C\C=C\C(=O)OC Amb24670506 [0,1,0,0,0,1|1,0,0]=3 1191 B9R0.1 CC(=O)N\C=C\C(=O)NC Amb25244602 [0,1,0,0,0,1|2,0,0]=4 1192 B9R0.1 CC(=O)\C=C\CC(=O)OC Amb25205440 [0,1,0,0,0,1|1,0,0]=3 1193 B9R0.1 CC(=O)\C=C\NC(=O)NCl Amb24741202 [0,1,0,0,0,1|2,0,0]=4 1194 B9R0.1 CC(=O)\C=C\NC(=O)OC Amb25288496 [0,1,0,0,0,1|1,0,0]=3 1195 B9R0.1 CC(=O)\C=C\OC(=O)CC Amb24760792 [0,1,0,0,0,1|2,0,0]=4 1196 B9R0.1 CC(=O)\C=N\CC(=O)OC Amb25094290 [0,1,0,0,0,1|1,0,1]=4 1197 B9R0.1 CC(C=O)=CNCC(O)=O Amb25255566 [0,1,0,0,0,1|1,0,1]=4 1198 B9R0.1 CNC(=O)N\C=C\C(O)=O Amb22960481 [0,1,0,0,0,1|1,0,0]=3 1199 B9R0.1 CNC(=S)S\C=C\C(=O)O Amb10552499 [0,1,0,0,0,1|1,1,0]=4 1200 B9R0.1 COC(=O)C=C=CC(O)=O Amb25694013 [0,1,0,0,0,1|0,0,0]=2 1201 B9R0.1 COC(=O)COCC(O)=O Amb25305044 [0,1,0,0,0,1|0,0,2]=4 1202 B9R0.1 COC(=O)C\C=C\C(O)=O Amb25132100 [0,1,0,0,0,1|0,0,0]=2 1203 B9R0.1 COC(=O)NN=CC(O)=O Amb24427251 [0,1,0,0,0,1|1,0,0]=3 1204 B9R0.1 COC(=O)NNCC(O)=O Amb25317249 [0,1,0,0,0,1|1,0,1]=4 1205 B9R0.1 COC(=O)N\C=C/C(O)=O Amb25104759 [0,1,0,0,0,1|0,0,0]=2 1206 B9R0.1 COC(=O)N\C=C\C(N)=O Amb25222616 [0,1,0,0,0,1|1,0,0]=3 1207 B9R0.1 COC(=O)N\C=C\C(O)=O Amb24550444 [0,1,0,0,0,1|0,0,0]=2 1208 B9R0.1 COC(=O)\C=C/NC(N)=O Amb24624664 [0,1,0,0,0,1|1,0,0]=3 1209 B9R0.1 COC(=O)\C=C\CC(C)O Amb24396746 [0,1,0,0,0,1|1,0,1]=4 1210 B9R0.1 COC(=O)\C=C\NC(=N)S Amb25245345 [0,1,0,0,0,1|1,1,0]=4 1211 B9R0.1 COC(=O)\C=C\SC(N)=N Amb24612188 [0,1,0,0,0,1|2,0,0]=4 1212 B9R0.1 COC(=S)NN=CC(O)=O Amb24711749 [0,1,0,0,0,1|1,1,0]=4 1213 B9R0.1 COC(=S)N\N=C/C(O)=O Amb24068314 [0,1,0,0,0,1|1,1,0]=4 1214 B9R0.1 COC(=S)N\N=C\C(O)=O Amb24100367 [0,1,0,0,0,1|1,1,0]=4 1215 B9R0.1 COC(=S)S\C=C\C(O)=O Amb24443125 [0,1,0,0,0,1|0,1,0]=3 1216 B9R0.1 CO[13C](=O)CCC[13C](=O)O Amb17618084 [0,1,0,0,0,1|0,0,2]=4 1217 B9R0.1 C\C(=C/C=CC(O)=O)\C#N Amb25367302 [0,1,0,0,0,1|2,0,0]=4 1218 B9R0.1 C\C(\C=C)=C\C=CC(O)=O Amb25340447 [0,1,0,0,0,1|2,0,0]=4 1219 B9R0.1 C\C(\C=O)=C/NCC(O)=O Amb25339921 [0,1,0,0,0,1|1,0,1]=4 1220 B9R0.1 C\C(\CO)=C/C=C/C(O)=O Amb24410692 [0,1,0,0,0,1|1,0,0]=3 1221 B9R0.1 NCC(=O)N\C=C\C(O)=O Amb24357725 [0,1,0,0,0,1|1,0,0]=3 1222 B9R0.1 O=C\C(=C\C=C\C(=O)C)\C Amb10068394 [0,1,0,0,0,1|2,0,0]=4 1223 B9R0.1 OC(=O)CCNC(=O)CO Amb24478846 [0,1,0,0,0,1|0,0,2]=4 1224 B9R0.1 OC(=O)CN\C=C(/O)\C=O Amb25147598 [0,1,0,0,0,1|0,0,1]=3 1225 B9R0.1 OC(=O)\C=C\C=C(/Cl)\C=O Amb25060734 [0,1,0,0,0,1|1,0,0]=3 1226 B9R0.7 C=C(NCC(O)=O)C(O)=O Amb24350752 [0,1,0,0,0,1|0,0,1]=3 1227 B9R0.7 CC(=NNC(N)=O)C(O)=O Amb24516860 [0,1,0,0,0,1|2,0,0]=4 1228 B9R0.7 CC(=O)C(=O)CCC(O)=O Amb24359327 [0,1,0,0,0,1|1,0,1]=4 1229 B9R0.7 CC(=O)CNC(=O)C(O)=O Amb24480846 [0,1,0,0,0,1|1,0,1]=4 1230 B9R0.7 CC(=O)NN=C(C)C(O)=O Amb25367709 [0,1,0,0,0,1|2,0,0]=4 1231 B9R0.7 CC(=O)NNC(=O)C(O)=O Amb25185290 [0,1,0,0,0,1|2,0,0]=4 1232 B9R0.7 CC(=O)OCC(=O)C(O)=O Amb24350556 [0,1,0,0,0,1|1,0,1]=4 1233 B9R0.7 CC(=O)ON=C(Cl)C(O)=O Amb25702873 [0,1,0,0,0,1|2,0,0]=4 1234 B9R0.7 CC(=O)O\N=C(/C)\C(O)=O Amb24579771 [0,1,0,0,0,1|2,0,0]=4 1235 B9R0.7 CC(=O)O\N=C(/Cl)\C(O)=O Amb25258406 [0,1,0,0,0,1|2,0,0]=4 1236 B9R0.7 CC(=O)SCC(=C)C(O)=O Amb24482306 [0,1,0,0,0,1|1,0,1]=4 1237 B9R0.7 CC(=O)\C(\C)=C/CC(C)=O Amb24589098 [0,1,0,0,0,1|2,0,0]=4 1238 B9R0.7 CC(=O)\C(\C)=C\NC(N)=O Amb24428715 [0,1,0,0,0,1|2,0,0]=4 1239 B9R0.7 CC(=O)\C=C\C(C)C(C)=O Amb25112484 [0,1,0,0,0,1|2,0,0]=4 1240 B9R0.7 CC(=O)\C=C\N(C)C(C)=O Amb24584364 [0,1,0,0,0,1|2,0,0]=4 1241 B9R0.7 CC(C)=C(C)C=CC(O)=O Amb24514918 [0,1,0,0,0,1|2,0,0]=4 1242 B9R0.7 CC(C)=C(C)\C=C\C(O)=O Amb18643593 [0,1,0,0,0,1|2,0,0]=4 1243 B9R0.7 CC(C)=CCC(=C)C(O)=O Amb25312869 [0,1,0,0,0,1|2,0,0]=4 1244 B9R0.7 CC(C)=C\C=C(/C)\C(O)=O Amb24701987 [0,1,0,0,0,1|2,0,0]=4 1245 B9R0.7 CC(N=CC(O)=O)C(O)=O Amb24446584 [0,1,0,0,0,1|0,0,1]=3 1246 B9R0.7 CC(O)C(O)\C=C\C(O)=O Amb24470539 [0,1,0,0,0,1|1,0,1]=4 1247 B9R0.7 CC(OCC(O)=O)C(O)=O Amb25292152 [0,1,0,0,0,1|0,0,2]=4 1248 B9R0.7 CC(\C=C\C(N)=O)C(O)=O Amb25174967 [0,1,0,0,0,1|1,0,0]=3 1249 B9R0.7 CC(\C=C\C(O)=O)C(O)=O Amb24409525 [0,1,0,0,0,1|0,0,0]=2 1250 B9R0.7 CN(N=CC(O)=O)C(N)=O Amb25737345 [0,1,0,0,0,1|2,0,0]=4 1251 B9R0.7 CN(O)C(=O)\C=C\C(O)=O Amb24617596 [0,1,0,0,0,1|2,0,0]=4 1252 B9R0.7 CN(\C=C\C(O)=O)C(N)=O Amb25084386 [0,1,0,0,0,1|1,0,0]=3 1253 B9R0.7 C[C@@H](CCC(O)=O)C(O)=O Amb22799543 [0,1,0,0,0,1|0,0,2]=4 1254 B9R0.7 C[C@@H](NCC(O)=O)C(O)=O Amb22748947 [0,1,0,0,0,1|0,0,2]=4 1255 B9R0.7 C[C@@H](SCC(O)=O)C(O)=O Amb24482305 [0,1,0,0,0,1|0,0,2]=4 1256 B9R0.7 C[C@H](CCC(O)=O)C(O)=O Amb22225175 [0,1,0,0,0,1|0,0,2]=4 1257 B9R0.7 C[C@H](NCC(O)=O)C(O)=O Amb25133540 [0,1,0,0,0,1|0,0,2]=4 1258 B9R0.7 C[C@H](OCC(O)=O)C(O)=O Amb24393806 [0,1,0,0,0,1|0,0,2]=4 1259 B9R0.7 C\C(=C\CC(C)O)\C(O)=O Amb25368118 [0,1,0,0,0,1|1,0,1]=4 1260 B9R0.7 C\C(=C\CN(C)O)\C(O)=O Amb24611958 [0,1,0,0,0,1|2,0,0]=4 1261 B9R0.7 C\C(=C\NC(N)=N)\C(O)=O Amb24358460 [0,1,0,0,0,1|2,0,0]=4 1262 B9R0.7 N=C(CCC(O)=O)C(O)=O Amb25064299 [0,1,0,0,0,1|0,0,1]=3 1263 B9R0.7 NC(=O)C(=O)CCC(O)=O Amb25279394 [0,1,0,0,0,1|1,0,1]=4 1264 B9R0.7 NC(=O)NC=C(F)C(O)=O Amb24065618 [0,1,0,0,0,1|1,0,0]=3 1265 B9R0.7 NC(=O)N\C=C(/N)\C(O)=O Amb25113093 [0,1,0,0,0,1|1,0,0]=3 1266 B9R0.7 NC(=O)N\C=C(\C(=O)O)/F Amb17614482 [0,1,0,0,0,1|1,0,0]=3 1267 B9R0.7 NC(=O)N\C=C(\N)/C(O)=O Amb25174854 [0,1,0,0,0,1|1,0,0]=3 1268 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350008 [0,1,0,0,0,1|0,0,2]=4 1269 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350165 [0,1,0,0,0,1|0,0,2]=4 1270 B9R0.7 NC(CCC(O)=O)[13C](O)=O Amb22367384 [0,1,0,0,0,1|0,0,2]=4 1271 B9R0.7 NC(CC[13C](O)=O)C(O)=O Amb22366853 [0,1,0,0,0,1|0,0,2]=4 1272 B9R0.7 N[C@@H](CCC(O)=O)[13C](O)=O Amb22353662 [0,1,0,0,0,1|0,0,2]=4 1273 B9R0.7 N[C@@H]([13CH2]CC(O)=O)C(O)=O Amb22338711 [0,1,0,0,0,1|0,0,2]=4 1274 B9R0.7 OC(=O)C(=S)NCC(O)=O Amb24423880 [0,1,0,0,0,1|0,0,1]=3 1275 B9R0.7 OC(=O)C(Cl)SCC(O)=O Amb24390363 [0,1,0,0,0,1|0,0,2]=4 1276 B9R0.7 OC(=O)C(O)SCC(O)=O Amb24524554 [0,1,0,0,0,1|0,0,2]=4 1277 B9R0.7 OC(=O)C=C=C(C(=O)O)C Amb17593578 [0,1,0,0,0,1|0,0,0]=2 1278 B9R0.7 OC(=O)CCC(=O)C(=O)O Amb1154117 [0,1,0,0,0,1|0,0,1]=3 1279 B9R0.7 OC(=O)CCC(=O)C(=O)[O-] Amb10072616 [0,1,0,0,0,1|0,0,2]=4 1280 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22349893 [0,1,0,0,0,1|0,0,1]=3 1281 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22350267 [0,1,0,0,0,1|0,0,1]=3 1282 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22746233 [0,1,0,0,0,1|0,0,1]=3 1283 B9R0.7 OC(=O)CCC(=O)[13C](O)=O Amb22055609 [0,1,0,0,0,1|0,0,1]=3 1284 B9R0.7 OC(=O)CCC(C(=O)O)Cl Amb17594149 [0,1,0,0,0,1|0,0,2]=4 1285 B9R0.7 OC(=O)CCC(C(=O)O)N Amb1778181 [0,1,0,0,0,1|0,0,2]=4 1286 B9R0.7 OC(=O)CCC(F)C(O)=O Amb25708515 [0,1,0,0,0,1|0,0,2]=4 1287 B9R0.7 OC(=O)CCC(O)C(O)=O Amb18124864 [0,1,0,0,0,1|0,0,2]=4 1288 B9R0.7 OC(=O)CC[C@@H](O)C(O)=O Amb22799690 [0,1,0,0,0,1|0,0,2]=4 1289 B9R0.7 OC(=O)CNC(=O)C(=O)C Amb17593639 [0,1,0,0,0,1|1,0,1]=4 1290 B9R0.7 OC(=O)CNC(=O)C(=O)O Amb2447304 [0,1,0,0,0,1|0,0,1]=3 1291 B9R0.7 OC(=O)CSC(C(=O)O)C Amb2431034 [0,1,0,0,0,1|0,0,2]=4 1292 B9R0.7 OC(=O)\C(\Br)=C/CC(O)=O Amb25364176 [0,1,0,0,0,1|0,0,0]=2 1293 B9R0.7 OC(=O)\C(\Cl)=C\C=C(Cl)Cl Amb24513601 [0,1,0,0,0,1|2,0,0]=4 1294 B9R0.7 OC(=O)\C=C/C(O)C(O)=O Amb25757882 [0,1,0,0,0,1|0,0,0]=2 1295 B9R0.7 OC(=O)\C=C\C(Cl)=C(Cl)Cl Amb24452138 [0,1,0,0,0,1|2,0,0]=4 1296 B9R0.7 OC(=O)\C=C\C(F)=C(F)F Amb24620550 [0,1,0,0,0,1|2,0,0]=4 1297 B9R0.7 [15NH2]C(CCC(O)=O)C(O)=O Amb22336520 [0,1,0,0,0,1|0,0,2]=4 1298 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O Amb22353585 [0,1,0,0,0,1|0,0,2]=4 1299 B9R0.7 [O-]C(=O)C(=O)CCC(O)=O Amb22166891 [0,1,0,0,0,1|0,0,2]=4 1300 B9R0.7 [O-]C(=O)CCC(=O)C(O)=O Amb22231405 [0,1,0,0,0,1|0,0,2]=4 1301 B9R0.53 C/C(NC(N)=O)=C/C([O-])=O Amb17912778 [0,1,0,0,0,1|1,0,1]=4 1302 B9R0.53 C=C(CC(O)=O)CC(O)=O Amb18644057 [0,1,0,0,0,1|0,0,1]=3 1303 B9R0.53 CC(=CC(O)=O)NC(N)=O Amb25314556 [0,1,0,0,0,1|1,0,0]=3 1304 B9R0.53 CC(=CC([O-])=O)NC(N)=O Amb24271137 [0,1,0,0,0,1|1,0,1]=4 1305 B9R0.53 CC(=O)C=C(C)CC(C)=O Amb24740174 [0,1,0,0,0,1|2,0,0]=4 1306 B9R0.53 CC(=O)C=C(O)CC(C)=O Amb24609551 [0,1,0,0,0,1|2,0,0]=4 1307 B9R0.53 CC(=O)CC(=O)C=C(C)O Amb24647936 [0,1,0,0,0,1|2,0,0]=4 1308 B9R0.53 CC(=O)CC(=O)CC(O)=O Amb18644062 [0,1,0,0,0,1|1,0,1]=4 1309 B9R0.53 CC(=O)CC(=O)\C=C(\C)/O Amb25146890 [0,1,0,0,0,1|2,0,0]=4 1310 B9R0.53 CC(=O)C\C(\C)=C\C(O)=O Amb25833580 [0,1,0,0,0,1|1,0,0]=3 1311 B9R0.53 CC(=O)NC(=O)CC(O)=O Amb24671240 [0,1,0,0,0,1|1,0,1]=4 1312 B9R0.53 CC(=O)N\C(\C)=C/C(C)=O Amb24736137 [0,1,0,0,0,1|2,0,0]=4 1313 B9R0.53 CC(=O)N\C(\C)=C\C(C)=O Amb24072904 [0,1,0,0,0,1|2,0,0]=4 1314 B9R0.53 CC(=O)N\C(\N)=C/C(C)=O Amb25187880 [0,1,0,0,0,1|2,0,0]=4 1315 B9R0.53 CC(=O)N\C(\N)=C\C(C)=O Amb25146808 [0,1,0,0,0,1|2,0,0]=4 1316 B9R0.53 CC(=O)N\C(\O)=C/C(C)=O Amb24072840 [0,1,0,0,0,1|2,0,0]=4 1317 B9R0.53 CC(=O)OC(C)=CC(C)=O Amb22369091 [0,1,0,0,0,1|2,0,0]=4 1318 B9R0.53 CC(=O)O\C(\C)=C/C(C)=O Amb25094309 [0,1,0,0,0,1|2,0,0]=4 1319 B9R0.53 CC(=O)O\C(\C)=C\C(C)=O Amb24706701 [0,1,0,0,0,1|2,0,0]=4 1320 B9R0.53 CC(=O)\C=C(/C)\CC(C)=O Amb24647875 [0,1,0,0,0,1|2,0,0]=4 1321 B9R0.53 CC(=O)\C=C(/C)\CC(O)=O Amb25838743 [0,1,0,0,0,1|1,0,0]=3 1322 B9R0.53 CC(=O)\C=C(\C)/CC(C)=O Amb25719264 [0,1,0,0,0,1|2,0,0]=4 1323 B9R0.53 CC(=O)\C=C(\C)/CC(O)=O Amb24446679 [0,1,0,0,0,1|1,0,0]=3 1324 B9R0.53 CC(=O)\C=C(\C)/NC(N)=O Amb24617277 [0,1,0,0,0,1|2,0,0]=4 1325 B9R0.53 CC(C)=CC(=C)CC(O)=O Amb25799390 [0,1,0,0,0,1|2,0,0]=4 1326 B9R0.53 CC(C)=C\C(\C)=C\C(O)=O Amb18643547 [0,1,0,0,0,1|2,0,0]=4 1327 B9R0.53 CC(C=C(C)O)=NC(N)=O Amb25147469 [0,1,0,0,0,1|2,0,0]=4 1328 B9R0.53 CC(CC(O)=O)=CC(O)=O Amb24556420 [0,1,0,0,0,1|0,0,0]=2 1329 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,1,0,0,0,1|0,0,2]=4 1330 B9R0.53 C\C(=C\C(O)=O)\SC(N)=N Amb24552448 [0,1,0,0,0,1|2,0,0]=4 1331 B9R0.53 C\C(\O)=C\C(\O)=C/C(O)=O Amb22730578 [0,1,0,0,0,1|1,0,0]=3 1332 B9R0.53 N=C(CC(O)=O)CC(O)=O Amb25703517 [0,1,0,0,0,1|0,0,1]=3 1333 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,1,0,0,0,1|0,0,2]=4 1334 B9R0.53 OC(=O)C=C(Br)CC(O)=O Amb24573499 [0,1,0,0,0,1|0,0,0]=2 1335 B9R0.53 OC(=O)CC(Cl)CC(O)=O Amb18126464 [0,1,0,0,0,1|0,0,2]=4 1336 B9R0.53 OC(=O)CN(Br)CC(O)=O Amb25277216 [0,1,0,0,0,1|0,0,2]=4 1337 B9R0.53 OC(=O)CN(Cl)CC(O)=O Amb24482142 [0,1,0,0,0,1|0,0,2]=4 1338 B9R0.53 OC(=O)\C=C(/Br)\CC(O)=O Amb25123824 [0,1,0,0,0,1|0,0,0]=2 1339 B9R0.53 OC(CC(=O)O)CC(=O)O Amb17615401 [0,1,0,0,0,1|0,0,2]=4 1340 B9R0.53 ON(CC(O)=O)CC(O)=O Amb25062474 [0,1,0,0,0,1|0,0,2]=4 1341 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb23453377 [0,1,0,0,0,1|0,0,2]=4 1342 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb24121533 [0,1,0,0,0,1|0,0,2]=4 1343 B9R0.56 CC(=O)N\C=C\S(O)(=O)=O Amb25049241 [0,1,0,0,0,1|2,0,0]=4 1344 B9R0.56 CC(C)(O)C\C=C\C(O)=O Amb18644104 [0,1,0,0,0,1|1,0,1]=4 1345 B9R0.56 OC(=O)\C=C\CP(O)(O)=O Amb24482251 [0,1,0,0,0,1|1,0,0]=3 1346 B9R0.56 OC(=O)\C=C\CS(O)(=O)=O Amb25185208 [0,1,0,0,0,1|1,0,0]=3 1347 B9R0.56 OC(=O)\C=N\NS(O)(=O)=O Amb25279535 [0,1,0,0,0,1|2,0,0]=4 1348 B9R0.21 COC(=O)\C=C\S(=O)(=O)F Amb24595422 [0,2,0,0,0,0|1,0,1]=4 1349 B9R0.21 COC(=O)\C=C\S(C)(=O)=O Amb24538735 [0,2,0,0,0,0|1,0,1]=4 1350 B9R0.23 CC(=CC(O)=O)C(=O)CC Amb24680912 [0,2,0,0,0,0|1,0,0]=3 1351 B9R0.23 CC(=CC(O)=O)C(=O)OC Amb24362654 [0,2,0,0,0,0|0,0,0]=2 1352 B9R0.23 CC(=CC(O)=O)C(C)OC Amb25045184 [0,2,0,0,0,0|1,0,1]=4 1353 B9R0.23 CC(=O)C=C(C)C(=O)CC Amb24533688 [0,2,0,0,0,0|2,0,0]=4 1354 B9R0.23 CC(=O)C=C(C)C(=O)NC Amb24565872 [0,2,0,0,0,0|2,0,0]=4 1355 B9R0.23 CC(=O)C=C(N)C(=O)OC Amb25275426 [0,2,0,0,0,0|1,0,0]=3 1356 B9R0.23 CC(=O)CC(=C)C(=O)OC Amb25146670 [0,2,0,0,0,0|1,0,1]=4 1357 B9R0.23 CC(=O)NC(=O)C(=O)OC Amb25698377 [0,2,0,0,0,0|2,0,0]=4 1358 B9R0.23 CC(=O)\C=C(/C)\C(=O)CC Amb25146646 [0,2,0,0,0,0|2,0,0]=4 1359 B9R0.23 CC(=O)\C=C(/N)\C(=O)OC Amb24411031 [0,2,0,0,0,0|1,0,0]=3 1360 B9R0.23 CC(=O)\C=C(\C)/C(=O)NC Amb24435684 [0,2,0,0,0,0|2,0,0]=4 1361 B9R0.23 CC(=O)\C=C(\C)/C(=O)OC Amb25146692 [0,2,0,0,0,0|1,0,0]=3 1362 B9R0.23 CN(CC(O)=O)C(=O)CO Amb25848387 [0,2,0,0,0,0|1,0,1]=4 1363 B9R0.23 COC(=O)C(=C)CC(N)=O Amb25757986 [0,2,0,0,0,0|1,0,1]=4 1364 B9R0.23 COC(=O)C(=C)NC(=O)C Amb10807388 [0,2,0,0,0,0|2,0,0]=4 1365 B9R0.23 COC(=O)C(=O)CC(=O)C Amb1155424 [0,2,0,0,0,0|1,0,1]=4 1366 B9R0.23 COC(=O)C(Br)CC(O)=O Amb18656999 [0,2,0,0,0,0|0,0,2]=4 1367 B9R0.23 COC(=O)C(C)CC(O)=O Amb18644248 [0,2,0,0,0,0|0,0,2]=4 1368 B9R0.23 COC(=O)C(CC(=O)O)O Amb17615865 [0,2,0,0,0,0|0,0,2]=4 1369 B9R0.23 COC(=O)C(N)CC(O)=O Amb18644309 [0,2,0,0,0,0|0,0,2]=4 1370 B9R0.23 COC(=O)[C@@H](C)CC(O)=O Amb22226152 [0,2,0,0,0,0|0,0,2]=4 1371 B9R0.23 COC(=O)[C@@H](CC(=O)O)O Amb17615866 [0,2,0,0,0,0|0,0,2]=4 1372 B9R0.23 COC(=O)[C@@H](N)CC(O)=O Amb22746069 [0,2,0,0,0,0|0,0,2]=4 1373 B9R0.23 COC(=O)[C@H](C)CC(O)=O Amb24561954 [0,2,0,0,0,0|0,0,2]=4 1374 B9R0.23 COC(=O)[C@H](CC(=O)O)O Amb17615867 [0,2,0,0,0,0|0,0,2]=4 1375 B9R0.23 COC(=O)[C@H](N)CC(O)=O Amb19944281 [0,2,0,0,0,0|0,0,2]=4 1376 B9R0.23 COC(=O)\C(=C\C(=O)C)\O Amb1981446 [0,2,0,0,0,0|1,0,0]=3 1377 B9R0.23 COC(=O)\C(=C\C(=O)O)\Br Amb15695379 [0,2,0,0,0,0|0,0,0]=2 1378 B9R0.23 COC(=O)\C(\Cl)=C/C(O)=O Amb24482175 [0,2,0,0,0,0|0,0,0]=2 1379 B9R0.23 C\C(=C/C(C)=O)\C(=O)C=C Amb25146768 [0,2,0,0,0,0|2,0,0]=4 1380 B9R0.23 C\C(=C/C(O)=O)\C(=O)CC Amb24462868 [0,2,0,0,0,0|1,0,0]=3 1381 B9R0.23 C\C(=C\C(O)=O)\C(=O)NC Amb24560263 [0,2,0,0,0,0|1,0,0]=3 1382 B9R0.23 C\C(=N/O)\C(\C)=C\C(C)=O Amb25713703 [0,2,0,0,0,0|2,0,0]=4 1383 B9R0.23 C\C=C(\C)/C(/C)=C\C(O)=O Amb25132096 [0,2,0,0,0,0|2,0,0]=4 1384 B9R0.23 NC(CC(O)=O)C(=O)O[Na] Amb22352689 [0,2,0,0,0,0|0,0,2]=4 1385 B9R0.23 N[C@@H](CC(O)=O)C(=O)NO Amb25762946 [0,2,0,0,0,0|0,0,2]=4 1386 B9R0.23 OC(=O)CC(O)C(=O)CO Amb25124913 [0,2,0,0,0,0|0,0,2]=4 1387 B9R0.23 OC(=O)C[C@H](O)C(=O)CO Amb25259211 [0,2,0,0,0,0|0,0,2]=4 1388 B9R0.24 C=CC(=O)\C=C\C(=O)C=C Amb25713641 [0,2,0,0,0,0|2,0,0]=4 1389 B9R0.24 CC(\C=C\C(=O)OC)OC Amb24608486 [0,2,0,0,0,0|1,0,1]=4 1390 B9R0.24 CCC(=O)\C=C/C(=O)CC Amb24708993 [0,2,0,0,0,0|2,0,0]=4 1391 B9R0.24 CCC(=O)\C=C\C(=O)OC Amb24617859 [0,2,0,0,0,0|1,0,0]=3 1392 B9R0.24 CCS(=O)\C=C\C(=O)OC Amb25281467 [0,2,0,0,0,0|2,0,0]=4 1393 B9R0.24 CC[C@H](O)\C=C\C(=O)OC Amb25320330 [0,2,0,0,0,0|1,0,1]=4 1394 B9R0.24 COC(=O)C#CC(=O)CO Amb24379030 [0,2,0,0,0,0|0,0,2]=4 1395 B9R0.24 COC(=O)N=NC(=O)OC Amb10807402 [0,2,0,0,0,0|2,0,0]=4 1396 B9R0.24 COC(=O)OOC(=O)OC Amb22731739 [0,2,0,0,0,0|2,0,0]=4 1397 B9R0.24 COC(=O)\C=C\C(=C)CO Amb25369441 [0,2,0,0,0,0|1,0,0]=3 1398 B9R0.24 COC(=O)\C=C\C(=O)OC Amb1789270 [0,2,0,0,0,0|0,0,0]=2 1399 B9R0.24 COC(=O)\C=C\C(Br)CO Amb24574708 [0,2,0,0,0,0|1,0,1]=4 1400 B9R0.24 COC(=O)\C=C\C(Cl)=CCl Amb24739077 [0,2,0,0,0,0|2,0,0]=4 1401 B9R0.24 COC(=O)\C=C\C(N)CO Amb25326734 [0,2,0,0,0,0|1,0,1]=4 1402 B9R0.24 COC(=O)\C=C\C(O)C#C Amb25786418 [0,2,0,0,0,0|1,0,1]=4 1403 B9R0.24 COC(=O)\C=C\C(O)CBr Amb24652677 [0,2,0,0,0,0|1,0,1]=4 1404 B9R0.24 COC(=O)\C=C\C(O)CO Amb25781778 [0,2,0,0,0,0|0,0,2]=4 1405 B9R0.24 COC(=O)\C=C\C(\Cl)=C\Cl Amb24595763 [0,2,0,0,0,0|2,0,0]=4 1406 B9R0.24 COC(=O)\C=C\[C@H](C)CO Amb24749656 [0,2,0,0,0,0|1,0,1]=4 1407 B9R0.24 COC(=O)\C=C\[C@H](O)CBr Amb24728920 [0,2,0,0,0,0|1,0,1]=4 1408 B9R0.24 COC(=O)\C=C\[C@H](O)CO Amb25721174 [0,2,0,0,0,0|0,0,2]=4 1409 B9R0.24 C\C(\C=O)=C/CC(=O)OC Amb18643828 [0,2,0,0,0,0|1,0,1]=4 1410 B9R0.24 C\C(\C=O)=C/OC(=O)OC Amb25799337 [0,2,0,0,0,0|2,0,0]=4 1411 B9R0.24 C\C(\C=O)=C\CC(=O)OC Amb24655988 [0,2,0,0,0,0|1,0,1]=4 1412 B9R0.24 C\C(\C=O)=C\NC(=O)OC Amb24730546 [0,2,0,0,0,0|2,0,0]=4 1413 B9R0.24 N#CC(=O)\C=C\C(=O)C#N Amb25371764 [0,2,0,0,0,0|2,0,0]=4 1414 B9R0.24 NNC(=O)\C=C\C(=O)NN Amb22040083 [0,2,0,0,0,0|2,0,0]=4 1415 B9R0.24 O=C(\C=C/C(=O)O[Na])O[Na] Amb22361235 [0,2,0,0,0,0|0,0,0]=2 1416 B9R0.24 O=C(\[13CH]=[13CH]\C(=O)O[Na])O[Na] Amb22353328 [0,2,0,0,0,0|0,0,0]=2 1417 B9R0.24 OC(C=O)=COC(=O)CCl Amb24561667 [0,2,0,0,0,0|2,0,0]=4 1418 B9R0.24 OC(\C=C\C(O)C=O)C=O Amb24383106 [0,2,0,0,0,0|0,0,2]=4 1419 B9R0.24 OCC(=O)CCC(=O)CO Amb25358920 [0,2,0,0,0,0|0,0,2]=4 1420 B9R0.24 O[C@H](CO)\C=C\C(=O)CO Amb25834436 [0,2,0,0,0,0|0,0,2]=4 1421 B9R0.24 [NH4]OC(=O)CCC(=O)O[NH4] Amb22346144 [0,2,0,0,0,0|0,0,2]=4 1422 B9R0.42 C=C(NC(=O)C=C)C(O)=O Amb24350958 [0,2,0,0,0,0|2,0,0]=4 1423 B9R0.42 C=C(NC(=O)CBr)C(O)=O Amb24700288 [0,2,0,0,0,0|2,0,0]=4 1424 B9R0.42 C=C(NC(=O)CN)C(O)=O Amb25845451 [0,2,0,0,0,0|2,0,0]=4 1425 B9R0.42 CC(=CC(=O)C(O)=O)OC Amb24680503 [0,2,0,0,0,0|1,0,0]=3 1426 B9R0.42 CC(=O)C(=C)CC(=O)OC Amb24378956 [0,2,0,0,0,0|1,0,1]=4 1427 B9R0.42 CC(=O)C(=O)CC(=O)OC Amb25146895 [0,2,0,0,0,0|1,0,1]=4 1428 B9R0.42 CC(=O)C(C)=CC(=O)OC Amb20668358 [0,2,0,0,0,0|1,0,0]=3 1429 B9R0.42 CC(=O)\C(\C)=C/C(=O)OC Amb25106945 [0,2,0,0,0,0|1,0,0]=3 1430 B9R0.42 CC(=O)\C(\C)=C\C(=O)OC Amb24545647 [0,2,0,0,0,0|1,0,0]=3 1431 B9R0.42 CC(=O)\C(\C)=N\C(=O)OC Amb25146686 [0,2,0,0,0,0|2,0,0]=4 1432 B9R0.42 CC(OC(=O)CO)C(O)=O Amb24480687 [0,2,0,0,0,0|1,0,1]=4 1433 B9R0.42 CCC(=O)\C=C(/O)\C(O)=O Amb24681807 [0,2,0,0,0,0|1,0,0]=3 1434 B9R0.42 CCC(=O)\C=C(\O)/C(O)=O Amb24629501 [0,2,0,0,0,0|1,0,0]=3 1435 B9R0.42 CNC(=O)CC(=C)C(O)=O Amb22269311 [0,2,0,0,0,0|1,0,1]=4 1436 B9R0.42 CNC(=O)NC(=O)C(O)=O Amb25134845 [0,2,0,0,0,0|2,0,0]=4 1437 B9R0.42 COC(=O)CC(=C)C(N)=O Amb24655917 [0,2,0,0,0,0|1,0,1]=4 1438 B9R0.42 COC(=O)CC(=O)C(O)=O Amb22728219 [0,2,0,0,0,0|0,0,1]=3 1439 B9R0.42 COC(=O)CC(Br)C(O)=O Amb18656998 [0,2,0,0,0,0|0,0,2]=4 1440 B9R0.42 COC(=O)CC(C)C(O)=O Amb18644239 [0,2,0,0,0,0|0,0,2]=4 1441 B9R0.42 COC(=O)CC(N)C(O)=O Amb22489498 [0,2,0,0,0,0|0,0,2]=4 1442 B9R0.42 COC(=O)CC(O)C(O)=O Amb25786182 [0,2,0,0,0,0|0,0,2]=4 1443 B9R0.42 COC(=O)C[C@@H](C(=O)O)N Amb13884879 [0,2,0,0,0,0|0,0,2]=4 1444 B9R0.42 COC(=O)C[C@@H](N)C(O)=O Amb22745861 [0,2,0,0,0,0|0,0,2]=4 1445 B9R0.42 COC(=O)C[C@@H](O)C(O)=O Amb23603858 [0,2,0,0,0,0|0,0,2]=4 1446 B9R0.42 COC(=O)C[C@H](O)C(O)=O Amb25367304 [0,2,0,0,0,0|0,0,2]=4 1447 B9R0.42 COC(=O)C[C@H]([NH3+])C(=O)O Amb10574406 [0,2,0,0,0,0|0,0,2]=4 1448 B9R0.42 COC(=O)N[C@@H](C)C(O)=O Amb24477985 [0,2,0,0,0,0|1,0,1]=4 1449 B9R0.42 COC(=O)N[C@H](C)C(O)=O Amb24381066 [0,2,0,0,0,0|1,0,1]=4 1450 B9R0.42 COC(C)\C=C(\F)/C(O)=O Amb25263824 [0,2,0,0,0,0|1,0,1]=4 1451 B9R0.42 C[C@H](OC(=O)CO)C(O)=O Amb24469338 [0,2,0,0,0,0|1,0,1]=4 1452 B9R0.42 C\C(=C/C(=O)OC)\C(N)=O Amb25809435 [0,2,0,0,0,0|1,0,0]=3 1453 B9R0.42 C\C(=C/C(=O)OC)\C(O)=O Amb18644070 [0,2,0,0,0,0|0,0,0]=2 1454 B9R0.42 C\C(=C\C(=O)NC)\C(O)=O Amb25271038 [0,2,0,0,0,0|1,0,0]=3 1455 B9R0.42 C\C(=C\C(=O)OC)\C(C)O Amb25823878 [0,2,0,0,0,0|1,0,1]=4 1456 B9R0.42 C\C(=C\C(=O)OC)\C(O)=O Amb24670134 [0,2,0,0,0,0|0,0,0]=2 1457 B9R0.42 C\C(=N\C(=O)CO)\C(O)=O Amb24505276 [0,2,0,0,0,0|1,0,0]=3 1458 B9R0.42 C\C=C(/C)\C=C(/C)\C(O)=O Amb24746728 [0,2,0,0,0,0|2,0,0]=4 1459 B9R0.42 ClCC(=O)NC(=C)C(=O)O Amb1951911 [0,2,0,0,0,0|2,0,0]=4 1460 B9R0.42 NC(CC(=O)CO)C(O)=O Amb18644310 [0,2,0,0,0,0|0,0,2]=4 1461 B9R0.42 NC(CC(=O)NO)C(O)=O Amb22349932 [0,2,0,0,0,0|0,0,2]=4 1462 B9R0.42 NC(\C=C(\P)/C=O)C(O)=O Amb25361040 [0,2,0,0,0,0|1,0,1]=4 1463 B9R0.42 N[C@H](CC(=O)NO)C(O)=O Amb24451287 [0,2,0,0,0,0|0,0,2]=4 1464 B9R0.43 CCC(\C=C\C(O)=O)OC Amb24707577 [0,2,0,0,0,0|1,0,1]=4 1465 B9R0.43 C\C=C(/CC)\C=C\C(O)=O Amb18643591 [0,2,0,0,0,0|2,0,0]=4 1466 B9R0.48 C=CCC(=O)\C=C\C(O)=O Amb18643496 [0,2,0,0,0,0|1,0,0]=3 1467 B9R0.48 CC(=O)\C=C/C(/C)=C\C=O Amb25739204 [0,2,0,0,0,0|2,0,0]=4 1468 B9R0.48 CC(=O)\C=C\C(=C)OCC Amb25116543 [0,2,0,0,0,0|2,0,0]=4 1469 B9R0.48 CC(=O)\C=C\C(=O)CCC Amb24512208 [0,2,0,0,0,0|2,0,0]=4 1470 B9R0.48 CC(=O)\C=C\C(=O)OC=C Amb24631181 [0,2,0,0,0,0|1,0,0]=3 1471 B9R0.48 CCCC(=O)\C=C\C(O)=O Amb18643821 [0,2,0,0,0,0|1,0,0]=3 1472 B9R0.48 CCCS(=O)\C=C\C(O)=O Amb25825020 [0,2,0,0,0,0|2,0,0]=4 1473 B9R0.48 CCNC(=O)\C=C/C(=O)O Amb1235096 [0,2,0,0,0,0|1,0,0]=3 1474 B9R0.48 CCOC(=O)C#CC(O)=O Amb25087505 [0,2,0,0,0,0|0,0,2]=4 1475 B9R0.48 CCOC(=O)C=CC(=C)Cl Amb24066018 [0,2,0,0,0,0|2,0,0]=4 1476 B9R0.48 CCOC(=O)CCC(=O)O Amb1151260 [0,2,0,0,0,0|0,0,2]=4 1477 B9R0.48 CCOC(=O)OCC(O)=O Amb25367281 [0,2,0,0,0,0|1,0,1]=4 1478 B9R0.48 CCOC(=O)SCC(O)=O Amb24726215 [0,2,0,0,0,0|1,0,1]=4 1479 B9R0.48 CCOC(=O)\C=C/C(O)=O Amb24462678 [0,2,0,0,0,0|0,0,0]=2 1480 B9R0.48 CCOC(=O)\C=C\B(O)O Amb22497443 [0,2,0,0,0,0|1,0,1]=4 1481 B9R0.48 CCOC(=O)\C=C\C(=C)Cl Amb10067010 [0,2,0,0,0,0|2,0,0]=4 1482 B9R0.48 CCOC(=O)\C=C\C(=O)Cl Amb20620668 [0,2,0,0,0,0|1,0,0]=3 1483 B9R0.48 CCOC(=O)\C=C\C(=O)O Amb2189151 [0,2,0,0,0,0|0,0,0]=2 1484 B9R0.48 CCOC(=O)\C=C\C(C)O Amb25328380 [0,2,0,0,0,0|1,0,1]=4 1485 B9R0.48 CCOC(=O)\C=C\C(N)=O Amb24395545 [0,2,0,0,0,0|1,0,0]=3 1486 B9R0.48 CCOC(=O)\C=C\C(O)=O Amb22351272 [0,2,0,0,0,0|0,0,0]=2 1487 B9R0.48 CCOC(=O)\C=C\C([O-])=O Amb22055284 [0,2,0,0,0,0|0,0,1]=3 1488 B9R0.48 CCOC(=O)\C=C\C([O-])=O Amb22351408 [0,2,0,0,0,0|0,0,1]=3 1489 B9R0.48 CCOC(=O)\C=C\C([O-])=O Amb22360652 [0,2,0,0,0,0|0,0,1]=3 1490 B9R0.48 CCOC(=O)\C=C\C([O-])=O Amb22363320 [0,2,0,0,0,0|0,0,1]=3 1491 B9R0.48 CCOC(=O)\C=C\[C@@H](C)O Amb25293903 [0,2,0,0,0,0|1,0,1]=4 1492 B9R0.48 CCOC(=O)\C=C\[C@H](C)O Amb24574778 [0,2,0,0,0,0|1,0,1]=4 1493 B9R0.48 CCOC(=O)\C=C\[N+]([O-])=O Amb24382373 [0,2,0,0,0,0|1,0,1]=4 1494 B9R0.48 COCC(=O)NCC(=O)O Amb1118442 [0,2,0,0,0,0|1,0,1]=4 1495 B9R0.48 COCC(=O)\C=C\C(O)=O Amb25835230 [0,2,0,0,0,0|0,0,0]=2 1496 B9R0.48 CONC(=O)\C=C\C(O)=O Amb25791595 [0,2,0,0,0,0|0,0,0]=2 1497 B9R0.48 C\C(=C\CCl)\C=CC(O)=O Amb25339708 [0,2,0,0,0,0|2,0,0]=4 1498 B9R0.48 C\C(=C\CCl)\C=C\C(O)=O Amb24480556 [0,2,0,0,0,0|2,0,0]=4 1499 B9R0.48 C\C(\C=CC(O)=O)=C\CC Amb24562528 [0,2,0,0,0,0|2,0,0]=4 1500 B9R0.48 C\C(\C=C\C(O)=O)=C/CC Amb18643546 [0,2,0,0,0,0|2,0,0]=4 1501 B9R0.48 NOCC(=O)NCC(O)=O Amb25359771 [0,2,0,0,0,0|1,0,1]=4 1502 B9R0.48 O/N=C/C(=O)CCC(O)=O Amb17689278 [0,2,0,0,0,0|0,0,2]=4 1503 B9R0.48 OC(=O)CCC(=O)CCO Amb25265246 [0,2,0,0,0,0|0,0,2]=4 1504 B9R0.48 OC(=O)CNC(=O)CCO Amb24745672 [0,2,0,0,0,0|1,0,1]=4 1505 B9R0.48 OC(=O)\C=C\C(=O)CC=O Amb18643788 [0,2,0,0,0,0|0,0,1]=3 1506 B9R0.48 OC(=O)\C=C\C(=O)\C=N\O Amb24524635 [0,2,0,0,0,0|0,0,0]=2 1507 B9R0.48 OC(=O)\C=C\C(\O)=C\C=O Amb24469239 [0,2,0,0,0,0|0,0,0]=2 1508 B9R0.48 [N-]=[N+]=NC(=O)\C=C\C(O)=O Amb25095727 [0,2,0,0,0,0|1,0,0]=3 1509 B9R0.64 CC(C)(\C=C\C(O)=O)C=O Amb18643830 [0,2,0,0,0,0|1,0,1]=4 1510 B9R0.64 CCS(=O)(=O)\C=C\C(O)=O Amb23511153 [0,2,0,0,0,0|1,0,1]=4 1511 B9R0.64 COC(C)(C)\C=C\C(O)=O Amb24391131 [0,2,0,0,0,0|1,0,1]=4 1512 B9R0.64 OC(=O)\C=C\P(O)(=O)CCl Amb24366035 [0,2,0,0,0,0|1,0,0]=3 1513 B9R0.10 CC(C)(O)C(O)=CC(O)=O Amb25225351 [0,2,0,0,0,0|1,0,1]=4 1514 B9R0.11 CC(Cl)(CC(O)=O)C(O)=O Amb18126463 [0,2,0,0,0,0|0,0,2]=4 1515 B9R0.11 CC(N)(CC(O)=O)C(O)=O Amb22800383 [0,2,0,0,0,0|0,0,2]=4 1516 B9R0.11 CC(O)(CC(O)=O)C(O)=O Amb22352645 [0,2,0,0,0,0|0,0,2]=4 1517 B9R0.11 CC(S)(CC(O)=O)C(O)=O Amb25053889 [0,2,0,0,0,0|0,0,2]=4 1518 B9R0.11 C[C@@](O)(CC(O)=O)C(O)=O Amb22336254 [0,2,0,0,0,0|0,0,2]=4 1519 B9R0.11 NC(N)(CC(O)=O)C(O)=O Amb24460545 [0,2,0,0,0,0|0,0,2]=4 1520 B9R0.11 OC(=O)C(O)(F)CC(O)=O Amb25798979 [0,2,0,0,0,0|0,0,2]=4 1521 B9R0.11 OC(=O)C(S)(S)CC(O)=O Amb22230560 [0,2,0,0,0,0|0,0,2]=4 1522 B9R0.11 OC(=O)CC(C(=O)O)(N)C Amb10807406 [0,2,0,0,0,0|0,0,2]=4 1523 B9R0.11 OC(=O)CC(C(=O)O)(O)O Amb16232015 [0,2,0,0,0,0|0,0,2]=4 1524 B9R0.11 OC(=O)C[C@@](C(=O)O)(N)C Amb10601663 [0,2,0,0,0,0|0,0,2]=4 1525 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb10601664 [0,2,0,0,0,0|0,0,2]=4 1526 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb17608152 [0,2,0,0,0,0|0,0,2]=4 1527 B9R0.39 C=NC(CC(O)=O)C(O)=O Amb24350770 [0,2,0,0,0,0|0,0,2]=4 1528 B9R0.39 CC(=O)C(=CC(C)=O)SC Amb24602999 [0,2,0,0,0,0|2,0,0]=4 1529 B9R0.39 CC(=O)N\C(=C/Br)\C(O)=O Amb24444857 [0,2,0,0,0,0|2,0,0]=4 1530 B9R0.39 CC(=O)N\C(=C/C)\C(O)=O Amb24669908 [0,2,0,0,0,0|2,0,0]=4 1531 B9R0.39 CC(=O)\C(=C\C(C)=O)\C#N Amb25689824 [0,2,0,0,0,0|2,0,0]=4 1532 B9R0.39 CC(=O)\C(=C\C(C)=O)\SC Amb25713608 [0,2,0,0,0,0|2,0,0]=4 1533 B9R0.39 CCC(=CC(N)=O)C(N)=O Amb24514933 [0,2,0,0,0,0|2,0,0]=4 1534 B9R0.39 CCC(=CC(O)=O)C(C)O Amb24568884 [0,2,0,0,0,0|1,0,1]=4 1535 B9R0.39 CCC(C(=O)O)CC(=O)O Amb10071696 [0,2,0,0,0,0|0,0,2]=4 1536 B9R0.39 CC[C@H](CC(O)=O)C(O)=O Amb24643194 [0,2,0,0,0,0|0,0,2]=4 1537 B9R0.39 CC\C(=C/C(O)=O)\C(O)=O Amb18644060 [0,2,0,0,0,0|0,0,0]=2 1538 B9R0.39 CC\C(=C\C(O)=O)\C(C)O Amb24654751 [0,2,0,0,0,0|1,0,1]=4 1539 B9R0.39 CNC(C(=O)O)CC(=O)O Amb1905634 [0,2,0,0,0,0|0,0,2]=4 1540 B9R0.39 CN[C@@H](CC(O)=O)C(O)=O Amb22748003 [0,2,0,0,0,0|0,0,2]=4 1541 B9R0.39 COC(=CC(O)=O)C(O)=O Amb24615646 [0,2,0,0,0,0|0,0,0]=2 1542 B9R0.39 COC(CC(O)=O)C(O)=O Amb18124863 [0,2,0,0,0,0|0,0,2]=4 1543 B9R0.39 CO[C@@H](CC(O)=O)C(O)=O Amb25122107 [0,2,0,0,0,0|0,0,2]=4 1544 B9R0.39 CO\C(=C/C(O)=O)\C(O)=O Amb24480750 [0,2,0,0,0,0|0,0,0]=2 1545 B9R0.39 CO\C(=C\C(N)=O)\C(N)=O Amb25147503 [0,2,0,0,0,0|2,0,0]=4 1546 B9R0.39 CSC(CC(O)=O)C(O)=O Amb18646024 [0,2,0,0,0,0|0,0,2]=4 1547 B9R0.39 CS[C@@H](CC(O)=O)C(O)=O Amb25191487 [0,2,0,0,0,0|0,0,2]=4 1548 B9R0.39 CS[C@H](CC(O)=O)C(O)=O Amb24423669 [0,2,0,0,0,0|0,0,2]=4 1549 B9R0.39 C\C=C(\CC(O)=O)/C(O)=O Amb25292254 [0,2,0,0,0,0|0,0,1]=3 1550 B9R0.39 N#CC(CC(O)=O)C(O)=O Amb24434922 [0,2,0,0,0,0|0,0,2]=4 1551 B9R0.39 NCC(CC(O)=O)C(O)=O Amb22546423 [0,2,0,0,0,0|0,0,2]=4 1552 B9R0.39 NCC(CC(O)=O)C(O)=O Amb24538047 [0,2,0,0,0,0|0,0,2]=4 1553 B9R0.39 NC[C@H](CC(O)=O)C(O)=O Amb25147272 [0,2,0,0,0,0|0,0,2]=4 1554 B9R0.39 NN[C@@H](CC(O)=O)C(O)=O Amb24117193 [0,2,0,0,0,0|0,0,2]=4 1555 B9R0.39 OC(=O)C(CBr)CC(O)=O Amb22752144 [0,2,0,0,0,0|0,0,2]=4 1556 B9R0.39 OC(=O)C(CC(O)=O)=CBr Amb25225990 [0,2,0,0,0,0|0,0,1]=3 1557 B9R0.39 OC(=O)C(CC(O)=O)=CCl Amb25321956 [0,2,0,0,0,0|0,0,1]=3 1558 B9R0.39 OC(=O)C(CC(O)=O)C=O Amb24732382 [0,2,0,0,0,0|0,0,2]=4 1559 B9R0.39 OC(=O)C(CC(O)=O)NO Amb24685872 [0,2,0,0,0,0|0,0,2]=4 1560 B9R0.39 OC(=O)C(CC(O)=O)NS Amb25808901 [0,2,0,0,0,0|0,0,2]=4 1561 B9R0.39 OC(=O)C(CCl)CC(O)=O Amb25840030 [0,2,0,0,0,0|0,0,2]=4 1562 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24117497 [0,2,0,0,0,0|0,0,2]=4 1563 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24630025 [0,2,0,0,0,0|0,0,2]=4 1564 B9R0.39 OC(=O)\C(=C/C(O)=O)\C=O Amb24568885 [0,2,0,0,0,0|0,0,0]=2 1565 B9R0.39 OC(=O)\C(=C\C(O)=O)\C=O Amb18644051 [0,2,0,0,0,0|0,0,0]=2 1566 B9R0.39 OC(=O)\C(\CBr)=C/C(O)=O Amb24477098 [0,2,0,0,0,0|0,0,0]=2 1567 B9R0.39 OC(=O)\C(\CC(O)=O)=C\Br Amb25758898 [0,2,0,0,0,0|0,0,1]=3 1568 B9R0.39 OC(=O)\C(\CC(O)=O)=N\O Amb24117074 [0,2,0,0,0,0|0,0,1]=3 1569 B9R0.39 OCC(CC(O)=O)C(O)=O Amb24629722 [0,2,0,0,0,0|0,0,2]=4 1570 B9R0.57 C=C(OP(O)(=O)S)C(O)=O Amb25101481 [0,2,0,0,0,0|2,0,0]=4 1571 B9R0.57 C=C(OP(O)(O)=O)C(O)=O Amb22350226 [0,2,0,0,0,0|2,0,0]=4 1572 B9R0.57 C=C(OP([O-])(O)=O)C(O)=O Amb22043185 [0,2,0,0,0,0|2,0,0]=4 1573 B9R0.57 C=C(OP([O-])(O)=O)C(O)=O Amb22263102 [0,2,0,0,0,0|2,0,0]=4 1574 B9R0.57 C=C(OP([O-])(O)=O)C(O)=O Amb22360734 [0,2,0,0,0,0|2,0,0]=4 1575 B9R0.57 C=C(OP([O-])(O)=O)[13C](O)=O Amb22367503 [0,2,0,0,0,0|2,0,0]=4 1576 B9R0.57 C=[13C](OP([O-])(O)=O)C(O)=O Amb22367352 [0,2,0,0,0,0|2,0,0]=4 1577 B9R0.57 CC(=CP(O)(O)=O)C(O)=O Amb24677590 [0,2,0,0,0,0|1,0,0]=3 1578 B9R0.57 CC(=O)C(C)=CP(C)(O)=O Amb24511929 [0,2,0,0,0,0|2,0,0]=4 1579 B9R0.57 C\C(=C/P(O)(O)=O)\C(O)=O Amb25774905 [0,2,0,0,0,0|1,0,0]=3 1580 B9R0.57 OC(=O)C(=C)CP(O)(O)=O Amb17785031 [0,2,0,0,0,0|1,0,1]=4 1581 B9R0.57 OC(=O)C(=C)OP(=O)(O)[O-] Amb10790214 [0,2,0,0,0,0|2,0,0]=4 1582 B9R0.57 OC(=O)C(=O)CP(=O)(O)O Amb17619389 [0,2,0,0,0,0|1,0,1]=4 1583 B9R0.57 [13CH2]=C(OP([O-])(O)=O)C(O)=O Amb22367299 [0,2,0,0,0,0|2,0,0]=4 1584 B9R0.79 C=C(C(N)=O)C(=C)C(N)=O Amb25147392 [0,2,0,0,0,0|2,0,0]=4 1585 B9R0.79 C=C(C(N)C(O)=O)C(N)=O Amb25316245 [0,2,0,0,0,0|1,0,1]=4 1586 B9R0.79 C=C(C(N)C(O)=O)C(O)=O Amb18644186 [0,2,0,0,0,0|0,0,1]=3 1587 B9R0.79 C=C(C(O)=O)C(=C)C(O)=O Amb18643786 [0,2,0,0,0,0|0,0,0]=2 1588 B9R0.79 C=C(C(O)C(O)=O)C(O)=O Amb20671613 [0,2,0,0,0,0|0,0,1]=3 1589 B9R0.79 CC(=O)C(=C)C(O)C(O)=O Amb24563821 [0,2,0,0,0,0|1,0,1]=4 1590 B9R0.79 CC(=O)C(C)=C(C)C(O)=O Amb25273854 [0,2,0,0,0,0|1,0,0]=3 1591 B9R0.79 CC(=O)N(C)C(=C)C(O)=O Amb24117538 [0,2,0,0,0,0|2,0,0]=4 1592 B9R0.79 CC(=O)\C(\O)=C(/O)\C(C)=O Amb24524348 [0,2,0,0,0,0|2,0,0]=4 1593 B9R0.79 CC(C(=C)C(O)=O)C(O)=O Amb18644063 [0,2,0,0,0,0|0,0,1]=3 1594 B9R0.79 CC(C(O)=O)=C(C)C(O)=O Amb24712245 [0,2,0,0,0,0|0,0,0]=2 1595 B9R0.79 CC([C@@H](N)C(O)=O)C(O)=O Amb22745450 [0,2,0,0,0,0|0,0,2]=4 1596 B9R0.79 C[C@@H]([C@@H](C)C(O)=O)C(O)=O Amb22801175 [0,2,0,0,0,0|0,0,2]=4 1597 B9R0.79 C[C@@H]([C@H](N)C(O)=O)C(O)=O Amb22756698 [0,2,0,0,0,0|0,0,2]=4 1598 B9R0.79 C[C@H](C(=C)C(O)=O)C(O)=O Amb24480380 [0,2,0,0,0,0|0,0,1]=3 1599 B9R0.79 C[C@H]([C@H](Cl)C(O)=O)C(O)=O Amb25684803 [0,2,0,0,0,0|0,0,2]=4 1600 B9R0.79 C[C@H]([C@H](N)C(O)=O)C(O)=O Amb25324829 [0,2,0,0,0,0|0,0,2]=4 1601 B9R0.79 C\C(\C(N)=O)=C(/C)\C(N)=O Amb24584917 [0,2,0,0,0,0|2,0,0]=4 1602 B9R0.79 C\C(\C(N)=O)=C(\C)/C(O)=O Amb24479070 [0,2,0,0,0,0|1,0,0]=3 1603 B9R0.79 C\C(\C(O)=O)=C(/C)\C(O)=O Amb18644072 [0,2,0,0,0,0|0,0,0]=2 1604 B9R0.79 C\C(\C(O)=O)=C(\C)/C(O)=O Amb24308873 [0,2,0,0,0,0|0,0,0]=2 1605 B9R0.79 NC(=O)C(Cl)=C(Cl)C(N)=O Amb25216977 [0,2,0,0,0,0|2,0,0]=4 1606 B9R0.79 NC(=O)C(F)=C(F)C(N)=O Amb25708495 [0,2,0,0,0,0|2,0,0]=4 1607 B9R0.79 NC(=O)C(F)=C(F)C(O)=O Amb24571693 [0,2,0,0,0,0|1,0,0]=3 1608 B9R0.79 NC(=O)\C(\Br)=C(/Br)\C(N)=O Amb25837516 [0,2,0,0,0,0|2,0,0]=4 1609 B9R0.79 NC(=O)\C(\F)=C(\F)/C(O)=O Amb24634118 [0,2,0,0,0,0|1,0,0]=3 1610 B9R0.79 NC(C(Br)C(O)=O)C(O)=O Amb18657078 [0,2,0,0,0,0|0,0,2]=4 1611 B9R0.79 NC(C(Cl)C(O)=O)C(O)=O Amb18126453 [0,2,0,0,0,0|0,0,2]=4 1612 B9R0.79 NC(C(F)C(O)=O)C(O)=O Amb24061061 [0,2,0,0,0,0|0,0,2]=4 1613 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb18124865 [0,2,0,0,0,0|0,0,2]=4 1614 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb24117894 [0,2,0,0,0,0|0,0,2]=4 1615 B9R0.79 NC(C(O)=O)=C(N)C(O)=O Amb25349480 [0,2,0,0,0,0|0,0,0]=2 1616 B9R0.79 NC([C@H](O)C(O)=O)C(O)=O Amb24513602 [0,2,0,0,0,0|0,0,2]=4 1617 B9R0.79 N[C@@H](C(O)C(O)=O)C(O)=O Amb22229324 [0,2,0,0,0,0|0,0,2]=4 1618 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24087715 [0,2,0,0,0,0|0,0,2]=4 1619 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24117974 [0,2,0,0,0,0|0,0,2]=4 1620 B9R0.79 N[C@H]([C@@H](C(=O)O)N)C(=O)O Amb10072362 [0,2,0,0,0,0|0,0,2]=4 1621 B9R0.79 N[C@H]([C@@H](F)C(O)=O)C(O)=O Amb22229006 [0,2,0,0,0,0|0,0,2]=4 1622 B9R0.79 N[C@H]([C@@H](N)C(O)=O)C(O)=O Amb22802394 [0,2,0,0,0,0|0,0,2]=4 1623 B9R0.79 N[C@H]([C@@H](O)C(O)=O)C(O)=O Amb17942870 [0,2,0,0,0,0|0,0,2]=4 1624 B9R0.79 N[C@H]([C@H](F)C(O)=O)C(O)=O Amb24634454 [0,2,0,0,0,0|0,0,2]=4 1625 B9R0.79 N\C(\C(O)=O)=C(/N)\C(O)=O Amb24578776 [0,2,0,0,0,0|0,0,0]=2 1626 B9R0.79 OC(=O)C(=O)C(=O)C(O)=O Amb22234966 [0,2,0,0,0,0|0,0,0]=2 1627 B9R0.79 OC(=O)C(C(C(=O)O)C)Cl Amb17594150 [0,2,0,0,0,0|0,0,2]=4 1628 B9R0.79 OC(=O)C(C(C(=O)O)C)N Amb2099482 [0,2,0,0,0,0|0,0,2]=4 1629 B9R0.79 OC(=O)C(C(C(=O)O)C)O Amb17593680 [0,2,0,0,0,0|0,0,2]=4 1630 B9R0.79 OC(=O)C(C(C(=O)O)O)Cl Amb17594225 [0,2,0,0,0,0|0,0,2]=4 1631 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb16224824 [0,2,0,0,0,0|0,0,2]=4 1632 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553366 [0,2,0,0,0,0|0,0,2]=4 1633 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553386 [0,2,0,0,0,0|0,0,2]=4 1634 B9R0.79 OC(=O)C(Cl)=C(Cl)C(O)=O Amb25173036 [0,2,0,0,0,0|0,0,0]=2 1635 B9R0.79 OC(=O)C(F)C(Br)C(O)=O Amb24759132 [0,2,0,0,0,0|0,0,2]=4 1636 B9R0.79 OC(=O)C(F)C(F)C(O)=O Amb24482465 [0,2,0,0,0,0|0,0,2]=4 1637 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22732623 [0,2,0,0,0,0|0,0,2]=4 1638 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22747860 [0,2,0,0,0,0|0,0,2]=4 1639 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22904195 [0,2,0,0,0,0|0,0,2]=4 1640 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24107517 [0,2,0,0,0,0|0,0,2]=4 1641 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24668916 [0,2,0,0,0,0|0,0,2]=4 1642 B9R0.79 OC(=O)[C@@H](Cl)[C@@H](Cl)C(O)=O Amb25146239 [0,2,0,0,0,0|0,0,2]=4 1643 B9R0.79 OC(=O)[C@@H](F)[C@H](Cl)C(O)=O Amb25061294 [0,2,0,0,0,0|0,0,2]=4 1644 B9R0.79 OC(=O)[C@@H](O)[C@@H](O)C(O)=O Amb22230832 [0,2,0,0,0,0|0,0,2]=4 1645 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb19884028 [0,2,0,0,0,0|0,0,2]=4 1646 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22224835 [0,2,0,0,0,0|0,0,2]=4 1647 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22750609 [0,2,0,0,0,0|0,0,2]=4 1648 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22756774 [0,2,0,0,0,0|0,0,2]=4 1649 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22800414 [0,2,0,0,0,0|0,0,2]=4 1650 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801138 [0,2,0,0,0,0|0,0,2]=4 1651 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801799 [0,2,0,0,0,0|0,0,2]=4 1652 B9R0.79 OC(=O)[C@H](C(C(=O)O)C)N Amb16232531 [0,2,0,0,0,0|0,0,2]=4 1653 B9R0.79 OC(=O)[C@H](Cl)[C@@H](Cl)C(O)=O Amb24390367 [0,2,0,0,0,0|0,0,2]=4 1654 B9R0.79 OC(=O)[C@H](F)[C@H](Cl)C(O)=O Amb25774512 [0,2,0,0,0,0|0,0,2]=4 1655 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb19884026 [0,2,0,0,0,0|0,0,2]=4 1656 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20240604 [0,2,0,0,0,0|0,0,2]=4 1657 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20670711 [0,2,0,0,0,0|0,0,2]=4 1658 B9R0.79 OC(=O)[C@H](S)[C@@H](S)C(O)=O Amb25374645 [0,2,0,0,0,0|0,0,2]=4 1659 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)N)O Amb17615140 [0,2,0,0,0,0|0,0,2]=4 1660 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)O)O Amb10604195 [0,2,0,0,0,0|0,0,2]=4 1661 B9R0.79 OC(=O)\C(\Br)=C(\Br)/C(O)=O Amb22347940 [0,2,0,0,0,0|0,0,0]=2 1662 B9R0.79 OC(=O)\C(\Cl)=C(\Cl)/C(O)=O Amb18522185 [0,2,0,0,0,0|0,0,0]=2 1663 B9R0.79 OC(=O)\C(\F)=C(\Cl)/C(O)=O Amb24711227 [0,2,0,0,0,0|0,0,0]=2 1664 B9R0.79 OC(=O)\C(\O)=C(/O)\C(O)=O Amb18511532 [0,2,0,0,0,0|0,0,0]=2 1665 B9R0.79 OC(C(F)C(O)=O)C(O)=O Amb24479232 [0,2,0,0,0,0|0,0,2]=4 1666 B9R0.79 OC(C(S)C(O)=O)C(O)=O Amb25776261 [0,2,0,0,0,0|0,0,2]=4 1667 B9R0.79 O[C@@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24524583 [0,2,0,0,0,0|0,0,2]=4 1668 B9R0.79 O[C@@H]([C@H](Br)C(O)=O)C(O)=O Amb24680321 [0,2,0,0,0,0|0,0,2]=4 1669 B9R0.79 O[C@@H]([C@H](F)C(O)=O)C(O)=O Amb24470062 [0,2,0,0,0,0|0,0,2]=4 1670 B9R0.79 O[C@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24390265 [0,2,0,0,0,0|0,0,2]=4 1671 B9R0.79 O\C(=C(\C(=O)O)/O)\C(=O)O Amb17593679 [0,2,0,0,0,0|0,0,0]=2 1672 B9R0.79 [2H]\C(\C(O)=O)=C(\[2H])/C(O)=O Amb22338640 [0,2,0,0,0,0|0,0,0]=2 1673 B9R0.84 OC(=O)\C=C\P(O)(O)(O)O Amb24634086 [0,2,0,0,0,0|1,0,1]=4 1674 B7R1.2 Brc1ccc(Br)o1 Amb19651339 [1,0,0,1,0,0|2,0,0]=4 1675 B7R1.2 Brc1ccc(I)o1 Amb24632285 [1,0,0,1,0,0|2,0,0]=4 1676 B7R1.2 Brc1ccc(o1)[2H] Amb10597228 [1,0,0,1,0,0|2,0,0]=4 1677 B7R1.2 C=C1C=CC(=O)O1 Amb22001002 [1,0,0,1,0,0|1,0,0]=3 1678 B7R1.2 C=C1CC(=O)C=C1 Amb24553656 [1,0,0,1,0,0|2,0,0]=4 1679 B7R1.2 CC1=CC(=O)C=C1 Amb24364191 [1,0,0,1,0,0|2,0,0]=4 1680 B7R1.2 CC1=CNC(=O)O1 Amb22298623 [1,0,0,1,0,0|2,0,0]=4 1681 B7R1.2 CC1=COC(=O)O1 Amb24693155 [1,0,0,1,0,0|2,0,0]=4 1682 B7R1.2 CC1C=CC(=O)O1 Amb24053964 [1,0,0,1,0,0|1,0,1]=4 1683 B7R1.2 C[C@@H]1C=CC(=O)O1 Amb25114434 [1,0,0,1,0,0|1,0,1]=4 1684 B7R1.2 C[C@H]1C=CC(=O)O1 Amb13887292 [1,0,0,1,0,0|1,0,1]=4 1685 B7R1.2 Cc1ccc(Cl)o1 Amb25242029 [1,0,0,1,0,0|2,0,0]=4 1686 B7R1.2 Cc1ccc(I)o1 Amb25723970 [1,0,0,1,0,0|2,0,0]=4 1687 B7R1.2 Cc1ccc(o1)Br Amb10600628 [1,0,0,1,0,0|2,0,0]=4 1688 B7R1.2 Cc1ccc(o1)C Amb2447078 [1,0,0,1,0,0|2,0,0]=4 1689 B7R1.2 Cc1ccc(o1)N Amb10600629 [1,0,0,1,0,0|2,0,0]=4 1690 B7R1.2 Cc1ccc(s1)O Amb17593190 [1,0,0,1,0,0|1,1,0]=4 1691 B7R1.2 Clc1ccc(Cl)o1 Amb24061017 [1,0,0,1,0,0|2,0,0]=4 1692 B7R1.2 Clc1ccc(I)o1 Amb24752684 [1,0,0,1,0,0|2,0,0]=4 1693 B7R1.2 Fc1ccc(Br)o1 Amb18199668 [1,0,0,1,0,0|2,0,0]=4 1694 B7R1.2 NC1C=CC(=O)O1 Amb24349779 [1,0,0,1,0,0|1,0,1]=4 1695 B7R1.2 Nc1ccc(Cl)o1 Amb25360216 [1,0,0,1,0,0|2,0,0]=4 1696 B7R1.2 Nc1ccc(F)o1 Amb18202898 [1,0,0,1,0,0|2,0,0]=4 1697 B7R1.2 Nc1ccc(N)o1 Amb18203063 [1,0,0,1,0,0|2,0,0]=4 1698 B7R1.2 Nc1ccc(O)o1 Amb24526005 [1,0,0,1,0,0|1,0,0]=3 1699 B7R1.2 Nc1ccc(o1)Br Amb13884560 [1,0,0,1,0,0|2,0,0]=4 1700 B7R1.2 Nc1ccc(o1)[2H] Amb10597230 [1,0,0,1,0,0|2,0,0]=4 1701 B7R1.2 O=C1C=CC(=O)N1 Amb1235242 [1,0,0,1,0,0|1,0,0]=3 1702 B7R1.2 O=C1C=CC(=O)O1 Amb20246531 [1,0,0,1,0,0|0,0,0]=2 1703 B7R1.2 O=C1C=CC(=O)O1 Amb22369065 [1,0,0,1,0,0|0,0,0]=2 1704 B7R1.2 O=C1C=CC(=O)S1 Amb24603022 [1,0,0,1,0,0|0,1,0]=3 1705 B7R1.2 O=C1C=CC(Br)O1 Amb22001603 [1,0,0,1,0,0|1,0,1]=4 1706 B7R1.2 O=C1C=CC(I)O1 Amb25325287 [1,0,0,1,0,0|1,0,1]=4 1707 B7R1.2 O=C1C=C[13C](=O)O1 Amb22367487 [1,0,0,1,0,0|0,0,0]=2 1708 B7R1.2 O=C1CC(=O)C=C1 Amb22338203 [1,0,0,1,0,0|1,0,0]=3 1709 B7R1.2 O=C1NC(=O)C=S1 Amb25780722 [1,0,0,1,0,0|2,0,0]=4 1710 B7R1.2 O=C1OC=C(C1)O Amb17621628 [1,0,0,1,0,0|2,0,0]=4 1711 B7R1.2 O=C1[13CH]=[13CH]C(=O)O1 Amb22353372 [1,0,0,1,0,0|0,0,0]=2 1712 B7R1.2 O=C1[14CH2][14CH2]C(=O)O1 Amb22729170 [1,0,0,1,0,0|0,0,2]=4 1713 B7R1.2 O=[13C]1C=C[13C](=O)O1 Amb22367373 [1,0,0,1,0,0|0,0,0]=2 1714 B7R1.2 O=[13C]1CC[13C](=O)O1 Amb20243426 [1,0,0,1,0,0|0,0,2]=4 1715 B7R1.2 O=[13C]1[13CH2][13CH2][13C](=O)O1 Amb22056174 [1,0,0,1,0,0|0,0,2]=4 1716 B7R1.2 O=[13C]1[13CH]=[13CH][13C](=O)O1 Amb22055653 [1,0,0,1,0,0|0,0,0]=2 1717 B7R1.2 OC1C=CC(=O)O1 Amb24544763 [1,0,0,1,0,0|0,0,1]=3 1718 B7R1.2 OC=1C=CC(=O)N1 Amb22552540 [1,0,0,1,0,0|1,0,0]=3 1719 B7R1.2 ON1CC(=O)C=C1 Amb25286099 [1,0,0,1,0,0|2,0,0]=4 1720 B7R1.2 O[C@@H]1C=CC(=O)N1 Amb25844488 [1,0,0,1,0,0|1,0,1]=4 1721 B7R1.2 O[C@@H]1C=CC(=O)O1 Amb25064237 [1,0,0,1,0,0|0,0,1]=3 1722 B7R1.2 O[C@H]1C=CC(=O)O1 Amb24479542 [1,0,0,1,0,0|0,0,1]=3 1723 B7R1.2 Oc1c[n](O)cc1 Amb25352119 [1,0,0,1,0,0|2,0,0]=4 1724 B7R1.2 Oc1ccc(Br)[nH]1 Amb18819121 [1,0,0,1,0,0|2,0,0]=4 1725 B7R1.2 Oc1ccc(Br)[s]1 Amb18055072 [1,0,0,1,0,0|1,1,0]=4 1726 B7R1.2 Oc1ccc(Br)o1 Amb18199811 [1,0,0,1,0,0|1,0,0]=3 1727 B7R1.2 Oc1ccc(Cl)[s]1 Amb18055065 [1,0,0,1,0,0|1,1,0]=4 1728 B7R1.2 Oc1ccc(Cl)o1 Amb25723971 [1,0,0,1,0,0|1,0,0]=3 1729 B7R1.2 Oc1scc(n1)O Amb10599939 [1,0,0,1,0,0|2,0,0]=4 1730 B7R1.2 [13CH3]c1ccc([13CH3])o1 Amb22338842 [1,0,0,1,0,0|2,0,0]=4 1731 B7R1.3 NC1=CC=CCO1 Amb22167473 [1,0,0,1,0,0|2,0,0]=4 1732 B7R1.3 O=C1C=CC=CN1 Amb18039970 [1,0,0,1,0,0|2,0,0]=4 1733 B7R1.3 O=C1C=CC=CO1 Amb21951679 [1,0,0,1,0,0|1,0,0]=3 1734 B7R1.3 O=C1C=CC=NN1 Amb19372847 [1,0,0,1,0,0|2,0,0]=4 1735 B7R1.3 O=C1COCC=C1 Amb22234519 [1,0,0,1,0,0|1,0,1]=4 1736 B7R1.3 O=C1OCCC=C1 Amb15693457 [1,0,0,1,0,0|1,0,1]=4 1737 B7R1.3 OC=1CNC=CC1 Amb24744451 [1,0,0,1,0,0|2,0,0]=4 1738 B7R1.3 O[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22056043 [1,0,0,1,0,0|2,0,0]=4 1739 B7R1.3 O[13c]1ccccc1 Amb22367569 [1,0,0,1,0,0|2,0,0]=4 1740 B7R1.3 Oc1cc[13cH]cc1 Amb22367413 [1,0,0,1,0,0|2,0,0]=4 1741 B7R1.3 Oc1cccc[n]1 Amb20622006 [1,0,0,1,0,0|2,0,0]=4 1742 B7R1.3 Oc1cccc[n]1 Amb24082004 [1,0,0,1,0,0|2,0,0]=4 1743 B7R1.3 Oc1ccccc1 Amb22229793 [1,0,0,1,0,0|2,0,0]=4 1744 B7R1.3 Oc1ccccc1 Amb22337931 [1,0,0,1,0,0|2,0,0]=4 1745 B7R1.3 Oc1ccccc1 Amb22367059 [1,0,0,1,0,0|2,0,0]=4 1746 B7R1.3 Oc1ccccc1 Amb24066113 [1,0,0,1,0,0|2,0,0]=4 1747 B7R1.3 [18OH]c1ccccc1 Amb22367529 [1,0,0,1,0,0|2,0,0]=4 1748 B7R1.7 O=C\C=C/C1CO1 Amb25695433 [1,0,0,1,0,0|1,0,1]=4 1749 B7R1.7 O=C\C=C\C1CO1 Amb25799580 [1,0,0,1,0,0|1,0,1]=4 1750 B7R1.18 OC(=O)C1=CCC1 Amb17593068 [1,0,0,1,0,0|1,0,1]=4 1751 B9R1.35 BrC(=O)c1ccc(Br)o1 Amb17939056 [0,0,0,1,0,1|2,0,0]=4 1752 B9R1.35 Brc1occ(c1)C(=O)O Amb1111481 [0,0,0,1,0,1|2,0,0]=4 1753 B9R1.35 Brc1scc(c1)C(=O)O Amb2372549 [0,0,0,1,0,1|2,0,0]=4 1754 B9R1.35 C=C1CC(=CC1)C(O)=O Amb25093101 [0,0,0,1,0,1|2,0,0]=4 1755 B9R1.35 CC(=O)C1CC(=O)C=C1 Amb25851582 [0,0,0,1,0,1|2,0,0]=4 1756 B9R1.35 CC(=O)C=1CC(=O)NC1 Amb24669843 [0,0,0,1,0,1|2,0,0]=4 1757 B9R1.35 CC(=O)N1C=CC(=O)N1 Amb24481715 [0,0,0,1,0,1|2,0,0]=4 1758 B9R1.35 CC(=O)N1CC(=O)C=C1 Amb24062029 [0,0,0,1,0,1|2,0,0]=4 1759 B9R1.35 CC(=O)c1c[s]c(O)[n]1 Amb25243684 [0,0,0,1,0,1|2,0,0]=4 1760 B9R1.35 CC(=O)c1ccc(Br)o1 Amb18678443 [0,0,0,1,0,1|2,0,0]=4 1761 B9R1.35 CC(=O)c1ccc(Cl)o1 Amb24476595 [0,0,0,1,0,1|2,0,0]=4 1762 B9R1.35 CC(=O)c1ccc(F)o1 Amb24569531 [0,0,0,1,0,1|2,0,0]=4 1763 B9R1.35 CC(=O)c1ccc(I)o1 Amb24678169 [0,0,0,1,0,1|2,0,0]=4 1764 B9R1.35 CC(=O)c1ccc(N)o1 Amb18642262 [0,0,0,1,0,1|2,0,0]=4 1765 B9R1.35 CC(=O)c1ccc(S)o1 Amb25376412 [0,0,0,1,0,1|1,1,0]=4 1766 B9R1.35 CC(=O)c1cnc(o1)N Amb17231842 [0,0,0,1,0,1|2,0,0]=4 1767 B9R1.35 CC(C)=C1C=CC(=O)O1 Amb25663354 [0,0,0,1,0,1|2,0,0]=4 1768 B9R1.35 CC(O)C1=CCC(=O)O1 Amb24756799 [0,0,0,1,0,1|1,0,1]=4 1769 B9R1.35 CC1C=CC(O1)C(O)=O Amb18642586 [0,0,0,1,0,1|1,0,1]=4 1770 B9R1.35 C[C@@H](O)[C@@H]1C=CC(=O)O1 Amb25373835 [0,0,0,1,0,1|1,0,1]=4 1771 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 Amb24691316 [0,0,0,1,0,1|1,0,1]=4 1772 B9R1.35 Cc1[nH]cc([n]1)C(O)=O Amb22587025 [0,0,0,1,0,1|2,0,0]=4 1773 B9R1.35 Cc1[n]c(c[s]1)C(O)=O Amb22587710 [0,0,0,1,0,1|2,0,0]=4 1774 B9R1.35 Cc1[n]cc(o1)C(C)=O Amb23437343 [0,0,0,1,0,1|2,0,0]=4 1775 B9R1.35 Cc1[n]cc(o1)C(N)=O Amb22276048 [0,0,0,1,0,1|2,0,0]=4 1776 B9R1.35 Cc1c[nH]c([n]1)C(O)=O Amb22587724 [0,0,0,1,0,1|2,0,0]=4 1777 B9R1.35 Cc1c[n]c(o1)C(C)=O Amb18832862 [0,0,0,1,0,1|2,0,0]=4 1778 B9R1.35 Cc1c[n]c(o1)C(O)=O Amb18832708 [0,0,0,1,0,1|1,0,0]=3 1779 B9R1.35 Cc1c[n]c(o1)C([O-])=O Amb24183598 [0,0,0,1,0,1|1,0,1]=4 1780 B9R1.35 Cc1cc(c[s]1)C(O)=O Amb17659438 [0,0,0,1,0,1|2,0,0]=4 1781 B9R1.35 Cc1cc(oc1)C(O)=O Amb18642368 [0,0,0,1,0,1|2,0,0]=4 1782 B9R1.35 Cc1ccc(o1)C(=O)C Amb1154368 [0,0,0,1,0,1|2,0,0]=4 1783 B9R1.35 Cc1ccc(s1)C(=O)O Amb1157149 [0,0,0,1,0,1|1,1,0]=4 1784 B9R1.35 Cc1coc([n]1)C(O)=O Amb18832706 [0,0,0,1,0,1|2,0,0]=4 1785 B9R1.35 Cc1ncc([nH]1)C(=O)O Amb17617498 [0,0,0,1,0,1|2,0,0]=4 1786 B9R1.35 Cc1ncc(o1)C(=O)O Amb17399815 [0,0,0,1,0,1|1,0,0]=3 1787 B9R1.35 Cc1occ(c1)C(=O)O Amb16231454 [0,0,0,1,0,1|2,0,0]=4 1788 B9R1.35 Ic1occ(c1)C(=O)O Amb13952880 [0,0,0,1,0,1|2,0,0]=4 1789 B9R1.35 Ic1scc(c1)C(=O)O Amb13952879 [0,0,0,1,0,1|2,0,0]=4 1790 B9R1.35 NC(=O)c1c[s]c(O)[n]1 Amb25075863 [0,0,0,1,0,1|2,0,0]=4 1791 B9R1.35 NC(=O)c1ccc(S)o1 Amb24093660 [0,0,0,1,0,1|1,1,0]=4 1792 B9R1.35 Nc1[nH]cc([n]1)C(O)=O Amb21864810 [0,0,0,1,0,1|2,0,0]=4 1793 B9R1.35 Nc1[n][n]c(o1)C(O)=O Amb18832581 [0,0,0,1,0,1|2,0,0]=4 1794 B9R1.35 Nc1[n]c(c[s]1)C(O)=O Amb21927716 [0,0,0,1,0,1|2,0,0]=4 1795 B9R1.35 Nc1[n]cc(o1)C(N)=O Amb23400984 [0,0,0,1,0,1|2,0,0]=4 1796 B9R1.35 Nc1[n]cc(o1)C(O)=O Amb19959202 [0,0,0,1,0,1|1,0,0]=3 1797 B9R1.35 Nc1c[nH]c([n]1)C(O)=O Amb21962133 [0,0,0,1,0,1|2,0,0]=4 1798 B9R1.35 Nc1c[n]c([s]1)C(O)=O Amb22235290 [0,0,0,1,0,1|1,1,0]=4 1799 B9R1.35 Nc1c[n]c([s]1)C(O)=O Amb22899439 [0,0,0,1,0,1|1,1,0]=4 1800 B9R1.35 Nc1cc([nH]c1)C(O)=O Amb18945036 [0,0,0,1,0,1|2,0,0]=4 1801 B9R1.35 Nc1cc([s]c1)C(O)=O Amb18124637 [0,0,0,1,0,1|2,0,0]=4 1802 B9R1.35 Nc1cc(c[s]1)C(O)=O Amb18280928 [0,0,0,1,0,1|2,0,0]=4 1803 B9R1.35 Nc1cc(oc1)C(O)=O Amb24428249 [0,0,0,1,0,1|2,0,0]=4 1804 B9R1.35 Nc1cc(sc1)C(=O)O Amb10602581 [0,0,0,1,0,1|2,0,0]=4 1805 B9R1.35 Nc1ccc([nH]1)C(O)=O Amb21963287 [0,0,0,1,0,1|2,0,0]=4 1806 B9R1.35 Nc1ccc([nH]1)C(O)=O Amb22899764 [0,0,0,1,0,1|2,0,0]=4 1807 B9R1.35 Nc1ccc([s]1)C(O)=O Amb18831593 [0,0,0,1,0,1|1,1,0]=4 1808 B9R1.35 Nc1ccc(o1)C(N)=O Amb18107255 [0,0,0,1,0,1|2,0,0]=4 1809 B9R1.35 Nc1ccc(o1)C(O)=O Amb18946756 [0,0,0,1,0,1|1,0,0]=3 1810 B9R1.35 Nc1nc(co1)C(=O)O Amb10879778 [0,0,0,1,0,1|2,0,0]=4 1811 B9R1.35 Nc1nc(cs1)C(=O)O Amb10067797 [0,0,0,1,0,1|2,0,0]=4 1812 B9R1.35 Nc1nc(cs1)C(=O)O Amb1982045 [0,0,0,1,0,1|2,0,0]=4 1813 B9R1.35 O=C(I)c1ccc(Br)o1 Amb25180066 [0,0,0,1,0,1|2,0,0]=4 1814 B9R1.35 O=C1CCC(=C1)C(=O)O Amb13883804 [0,0,0,1,0,1|1,0,1]=4 1815 B9R1.35 O=C1NC(=CS1)C(=O)Cl Amb25242433 [0,0,0,1,0,1|2,0,0]=4 1816 B9R1.35 O=C1NC=C(O1)C(=O)Cl Amb24400990 [0,0,0,1,0,1|1,0,0]=3 1817 B9R1.35 OC(=O)C1=CC(=O)NN1 Amb18944048 [0,0,0,1,0,1|2,0,0]=4 1818 B9R1.35 OC(=O)C1=CC(=O)NO1 Amb19889163 [0,0,0,1,0,1|2,0,0]=4 1819 B9R1.35 OC(=O)C1=CNC(=O)N1 Amb18278248 [0,0,0,1,0,1|1,0,0]=3 1820 B9R1.35 OC(=O)C1=CNC(=S)N1 Amb22586764 [0,0,0,1,0,1|1,1,0]=4 1821 B9R1.35 OC(=O)C1=NNC(=O)S1 Amb24664735 [0,0,0,1,0,1|1,1,0]=4 1822 B9R1.35 OC(=O)C1CC=C(Br)O1 Amb25251659 [0,0,0,1,0,1|1,0,1]=4 1823 B9R1.35 OC(=O)C1CCC(=O)O1 Amb20623076 [0,0,0,1,0,1|0,0,2]=4 1824 B9R1.35 OC(=O)C1CNC(=O)O1 Amb24112958 [0,0,0,1,0,1|0,0,2]=4 1825 B9R1.35 OC(=O)C1COC(=O)O1 Amb25767974 [0,0,0,1,0,1|0,0,2]=4 1826 B9R1.35 OC(=O)C1OC(=O)CS1 Amb25063335 [0,0,0,1,0,1|0,0,2]=4 1827 B9R1.35 OC(=O)C=1CC(=O)NC1 Amb18832707 [0,0,0,1,0,1|1,0,0]=3 1828 B9R1.35 OC(=O)C=1CC(=O)NN1 Amb18278720 [0,0,0,1,0,1|2,0,0]=4 1829 B9R1.35 OC(=O)C=1CC(=O)ON1 Amb25700026 [0,0,0,1,0,1|2,0,0]=4 1830 B9R1.35 OC(=O)C=1COC(=O)C1 Amb18642559 [0,0,0,1,0,1|1,0,1]=4 1831 B9R1.35 OC(=O)C=1NC(=O)CN1 Amb24387402 [0,0,0,1,0,1|1,0,1]=4 1832 B9R1.35 OC(=O)C=1NC(=O)NN1 Amb19205315 [0,0,0,1,0,1|2,0,0]=4 1833 B9R1.35 OC(=O)C=1NC(=O)NN1 Amb21955579 [0,0,0,1,0,1|2,0,0]=4 1834 B9R1.35 OC(=O)C=1NNC(=O)N1 Amb18944041 [0,0,0,1,0,1|2,0,0]=4 1835 B9R1.35 OC(=O)[C@@H]1C=CC(=O)N1 Amb25140391 [0,0,0,1,0,1|1,0,0]=3 1836 B9R1.35 OC(=O)[C@@H]1CNC(=O)O1 Amb25146207 [0,0,0,1,0,1|0,0,2]=4 1837 B9R1.35 OC(=O)c1[nH]cc(Br)[n]1 Amb22494766 [0,0,0,1,0,1|2,0,0]=4 1838 B9R1.35 OC(=O)c1[nH]cc(Cl)[n]1 Amb22493985 [0,0,0,1,0,1|2,0,0]=4 1839 B9R1.35 OC(=O)c1[nH]cc(I)[n]1 Amb22497620 [0,0,0,1,0,1|2,0,0]=4 1840 B9R1.35 OC(=O)c1[n][n]c(Br)o1 Amb18190404 [0,0,0,1,0,1|2,0,0]=4 1841 B9R1.35 OC(=O)c1[n]c(Br)co1 Amb22754333 [0,0,0,1,0,1|2,0,0]=4 1842 B9R1.35 OC(=O)c1[n]cc(Cl)[s]1 Amb22002189 [0,0,0,1,0,1|1,1,0]=4 1843 B9R1.35 OC(=O)c1[n]cc(Cl)o1 Amb25208596 [0,0,0,1,0,1|1,0,0]=3 1844 B9R1.35 OC(=O)c1c[nH]c(=O)[nH]1 Amb1208380 [0,0,0,1,0,1|1,0,0]=3 1845 B9R1.35 OC(=O)c1c[nH]c(=O)[s]1 Amb24084921 [0,0,0,1,0,1|0,1,0]=3 1846 B9R1.35 OC(=O)c1c[nH]c(Br)c1 Amb19374049 [0,0,0,1,0,1|2,0,0]=4 1847 B9R1.35 OC(=O)c1c[nH]c(Cl)[n]1 Amb24359911 [0,0,0,1,0,1|2,0,0]=4 1848 B9R1.35 OC(=O)c1c[nH]c(Cl)c1 Amb18202356 [0,0,0,1,0,1|2,0,0]=4 1849 B9R1.35 OC(=O)c1c[nH]c(n1)S Amb2583031 [0,0,0,1,0,1|1,1,0]=4 1850 B9R1.35 OC(=O)c1c[n][n](O)c1 Amb21928017 [0,0,0,1,0,1|2,0,0]=4 1851 B9R1.35 OC(=O)c1c[n]c(Br)[nH]1 Amb23439053 [0,0,0,1,0,1|2,0,0]=4 1852 B9R1.35 OC(=O)c1c[n]c(Br)o1 Amb19958445 [0,0,0,1,0,1|1,0,0]=3 1853 B9R1.35 OC(=O)c1c[n]c(Br)o1 Amb22432570 [0,0,0,1,0,1|1,0,0]=3 1854 B9R1.35 OC(=O)c1c[n]c(F)[s]1 Amb24329329 [0,0,0,1,0,1|1,1,0]=4 1855 B9R1.35 OC(=O)c1c[n]c(I)[s]1 Amb24331890 [0,0,0,1,0,1|1,1,0]=4 1856 B9R1.35 OC(=O)c1c[s]c(F)[n]1 Amb25147077 [0,0,0,1,0,1|2,0,0]=4 1857 B9R1.35 OC(=O)c1c[s]c(S)[n]1 Amb24480164 [0,0,0,1,0,1|1,1,0]=4 1858 B9R1.35 OC(=O)c1cc(Br)co1 Amb18129829 [0,0,0,1,0,1|2,0,0]=4 1859 B9R1.35 OC(=O)c1cc(Cl)co1 Amb18644297 [0,0,0,1,0,1|2,0,0]=4 1860 B9R1.35 OC(=O)c1cc(F)c[nH]1 Amb22887025 [0,0,0,1,0,1|2,0,0]=4 1861 B9R1.35 OC(=O)c1cc(S)c[s]1 Amb24478659 [0,0,0,1,0,1|1,1,0]=4 1862 B9R1.35 OC(=O)c1cc(c[nH]1)Br Amb1154606 [0,0,0,1,0,1|2,0,0]=4 1863 B9R1.35 OC(=O)c1cc(c[nH]1)Cl Amb1106125 [0,0,0,1,0,1|2,0,0]=4 1864 B9R1.35 OC(=O)c1cc(cs1)Br Amb1935172 [0,0,0,1,0,1|2,0,0]=4 1865 B9R1.35 OC(=O)c1cc(cs1)Cl Amb16185757 [0,0,0,1,0,1|2,0,0]=4 1866 B9R1.35 OC(=O)c1cc(cs1)F Amb10602731 [0,0,0,1,0,1|2,0,0]=4 1867 B9R1.35 OC(=O)c1ccc(Br)[nH]1 Amb21857063 [0,0,0,1,0,1|2,0,0]=4 1868 B9R1.35 OC(=O)c1ccc(F)o1 Amb23538033 [0,0,0,1,0,1|1,0,0]=3 1869 B9R1.35 OC(=O)c1ccc(I)[nH]1 Amb22498191 [0,0,0,1,0,1|2,0,0]=4 1870 B9R1.35 OC(=O)c1ccc(I)[s]1 Amb22002319 [0,0,0,1,0,1|1,1,0]=4 1871 B9R1.35 OC(=O)c1ccc(S)o1 Amb18279728 [0,0,0,1,0,1|0,1,0]=3 1872 B9R1.35 OC(=O)c1ccc(o1)Cl Amb1107530 [0,0,0,1,0,1|1,0,0]=3 1873 B9R1.35 OC(=O)c1ccc(o1)I Amb2459665 [0,0,0,1,0,1|1,0,0]=3 1874 B9R1.35 OC(=O)c1ccc(s1)Cl Amb1152956 [0,0,0,1,0,1|1,1,0]=4 1875 B9R1.35 OC(=O)c1cnc(s1)Cl Amb2432444 [0,0,0,1,0,1|1,1,0]=4 1876 B9R1.35 OC(=O)c1coc(Br)[n]1 Amb21857043 [0,0,0,1,0,1|2,0,0]=4 1877 B9R1.35 OC(=O)c1coc(Cl)c1 Amb22284566 [0,0,0,1,0,1|2,0,0]=4 1878 B9R1.35 OC(=O)c1coc(F)[n]1 Amb22756381 [0,0,0,1,0,1|2,0,0]=4 1879 B9R1.35 OC(=O)c1coc(I)[n]1 Amb22000930 [0,0,0,1,0,1|2,0,0]=4 1880 B9R1.35 OC(=O)c1coc(n1)Cl Amb16232458 [0,0,0,1,0,1|2,0,0]=4 1881 B9R1.35 OC(=O)c1csc(n1)Br Amb2455706 [0,0,0,1,0,1|2,0,0]=4 1882 B9R1.35 OC(=O)c1n[nH]c(n1)O Amb1087941 [0,0,0,1,0,1|2,0,0]=4 1883 B9R1.35 OC(=O)c1nc(cs1)Br Amb13883510 [0,0,0,1,0,1|2,0,0]=4 1884 B9R1.35 OC(=O)c1ncc(s1)Br Amb10606388 [0,0,0,1,0,1|1,1,0]=4 1885 B9R1.35 OC(=S)C1=CSC(=O)N1 Amb24566564 [0,0,0,1,0,1|1,1,0]=4 1886 B9R1.35 OC1CC(C=C1)C(O)=O Amb25078348 [0,0,0,1,0,1|1,0,1]=4 1887 B9R1.35 Oc1[n]c(co1)C(O)=O Amb24481698 [0,0,0,1,0,1|1,0,0]=3 1888 B9R1.35 Oc1[n]cc(o1)C(O)=O Amb25178101 [0,0,0,1,0,1|0,0,1]=3 1889 B9R1.35 Oc1[n]oc([n]1)C(O)=O Amb24742050 [0,0,0,1,0,1|2,0,0]=4 1890 B9R1.35 Oc1c[nH]c(c1)C(O)=O Amb24649356 [0,0,0,1,0,1|1,0,0]=3 1891 B9R1.35 Oc1c[n]c(o1)C(O)=O Amb25145621 [0,0,0,1,0,1|0,0,1]=3 1892 B9R1.35 Oc1cc([n][nH]1)C(O)=O Amb19893064 [0,0,0,1,0,1|2,0,0]=4 1893 B9R1.35 Oc1cc([n]o1)C(O)=O Amb22495932 [0,0,0,1,0,1|2,0,0]=4 1894 B9R1.35 Oc1cc([s][n]1)C(O)=O Amb24579600 [0,0,0,1,0,1|2,0,0]=4 1895 B9R1.35 Oc1ccc(o1)C(O)=O Amb18946939 [0,0,0,1,0,1|0,0,1]=3 1896 B9R1.35 Oc1coc([n]1)C(O)=O Amb25243276 [0,0,0,1,0,1|1,0,0]=3 1897 B9R1.35 [O-]C(=O)c1ccc(o1)I Amb2459790 [0,0,0,1,0,1|1,0,1]=4 1898 B9R1.46 CC1OC1\C=C\C(O)=O Amb24475226 [0,0,0,1,0,1|1,0,1]=4 1899 B9R1.49 O=C1C=CC(=O)NC=C1 Amb25195201 [0,0,0,1,0,1|2,0,0]=4 1900 B9R1.49 O=C1CC=CC(=O)CC1 Amb25229531 [0,0,0,1,0,1|2,0,0]=4 1901 B9R1.49 O=C1CCC(=O)NC=C1 Amb24428128 [0,0,0,1,0,1|2,0,0]=4 1902 B9R1.49 O=c1ccc(=O)occ1 Amb24093506 [0,0,0,1,0,1|2,0,0]=4 1903 B9R1.49 OC1=CC=CC(=O)C=C1 Amb18048395 [0,0,0,1,0,1|2,0,0]=4 1904 B9R1.53 CC(=O)OC=1CC(=O)C1 Amb25086351 [0,0,0,1,0,1|2,0,0]=4 1905 B9R1.53 OC(=O)\C=C/1\CC(=O)N1 Amb25845188 [0,0,0,1,0,1|1,0,0]=3 1906 B9R1.161 CC(=O)N1C=C1C(O)=O Amb25285793 [0,0,0,1,0,1|1,0,0]=3 1907 B9R1.161 OC(=O)C1CC1C(=O)O Amb1350467 [0,0,0,1,0,1|0,0,2]=4 1908 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(O)=O Amb22901897 [0,0,0,1,0,1|0,0,2]=4 1909 B9R1.161 OC(=O)[C@@H]1O[C@H]1C(O)=O Amb22799776 [0,0,0,1,0,1|0,0,2]=4 1910 B9R1.161 OC(=O)[C@H]1O[C@@H]1C(O)=O Amb22262951 [0,0,0,1,0,1|0,0,2]=4 1911 B9R1.1 COC=1C=CC(=O)NN1 Amb20662183 [0,1,0,1,0,0|2,0,0]=4 1912 B9R1.1 COc1ccc(O)[n][n]1 Amb21984418 [0,1,0,1,0,0|2,0,0]=4 1913 B9R1.1 COc1ccc(O)[n]c1 Amb18642264 [0,1,0,1,0,0|2,0,0]=4 1914 B9R1.1 N#CC=1C=CC(=O)OC1 Amb22304830 [0,1,0,1,0,0|2,0,0]=4 1915 B9R1.1 O=C1C=CC(=CN1)C=O Amb18642085 [0,1,0,1,0,0|2,0,0]=4 1916 B9R1.1 O=C1C=CC(=CO1)C=O Amb18124299 [0,1,0,1,0,0|1,0,0]=3 1917 B9R1.1 O=C1C=CC(C=O)=NN1 Amb18848569 [0,1,0,1,0,0|2,0,0]=4 1918 B9R1.1 O=C1C=CC(C=O)=NN1 Amb22497662 [0,1,0,1,0,0|2,0,0]=4 1919 B9R1.1 O=Cc1ccc(cc1)O Amb1873769 [0,1,0,1,0,0|2,0,0]=4 1920 B9R1.1 O=Nc1ccc(cc1)O Amb10071749 [0,1,0,1,0,0|2,0,0]=4 1921 B9R1.1 O=[13CH]c1ccc(cc1)O Amb17615151 [0,1,0,1,0,0|2,0,0]=4 1922 B9R1.1 OC=C1C=CC(=O)C=N1 Amb19316321 [0,1,0,1,0,0|2,0,0]=4 1923 B9R1.1 OCC=1C=CC(=O)NC1 Amb20243253 [0,1,0,1,0,0|2,0,0]=4 1924 B9R1.1 OCC=1C=CC(=O)NN1 Amb18848567 [0,1,0,1,0,0|2,0,0]=4 1925 B9R1.1 OCC=1C=CC(=O)OC1 Amb25835811 [0,1,0,1,0,0|1,0,0]=3 1926 B9R1.1 ON=C1C=CC(=O)C=C1 Amb17608819 [0,1,0,1,0,0|2,0,0]=4 1927 B9R1.1 O\C=C/1\C=CC(=O)C=N1 Amb24647679 [0,1,0,1,0,0|2,0,0]=4 1928 B9R1.1 Oc1ccc(CO)[n]c1 Amb18642263 [0,1,0,1,0,0|2,0,0]=4 1929 B9R1.1 Oc1ccc(nn1)C=O Amb10067589 [0,1,0,1,0,0|2,0,0]=4 1930 B9R1.67 CC(=O)\C=C/1\CNC1=O Amb24365242 [0,1,0,1,0,0|2,0,0]=4 1931 B9R1.69 Brc1cc(Br)coc1=O Amb10067372 [0,1,0,1,0,0|2,0,0]=4 1932 B9R1.69 C=C1C=C(O)C=CC1=O Amb24646356 [0,1,0,1,0,0|2,0,0]=4 1933 B9R1.69 CC1=CC(=O)C(=O)CO1 Amb24647233 [0,1,0,1,0,0|2,0,0]=4 1934 B9R1.69 CC1=CC(=O)C(O)=CO1 Amb19130353 [0,1,0,1,0,0|2,0,0]=4 1935 B9R1.69 CC1=CC(=O)N=NC1=O Amb21963753 [0,1,0,1,0,0|2,0,0]=4 1936 B9R1.69 CC1=CC(=O)NNC1=O Amb19657930 [0,1,0,1,0,0|2,0,0]=4 1937 B9R1.69 CC1=CC(=O)OC[C@@H]1O Amb25135034 [0,1,0,1,0,0|1,0,1]=4 1938 B9R1.69 CC1=CC(=O)OC[C@H]1O Amb24458563 [0,1,0,1,0,0|1,0,1]=4 1939 B9R1.69 CC1=CC=C(O)C(=O)N1 Amb24725980 [0,1,0,1,0,0|2,0,0]=4 1940 B9R1.69 CC1=CC=C(O)NC1=O Amb24579203 [0,1,0,1,0,0|2,0,0]=4 1941 B9R1.69 CN1C=C(O)C=CC1=O Amb22371453 [0,1,0,1,0,0|2,0,0]=4 1942 B9R1.69 CN1N=C(O)C=CC1=O Amb19650751 [0,1,0,1,0,0|2,0,0]=4 1943 B9R1.69 CN1NC(=O)C=CC1=O Amb18372843 [0,1,0,1,0,0|2,0,0]=4 1944 B9R1.69 C[C@@H]1OC(=O)C=CC1=O Amb24633316 [0,1,0,1,0,0|1,0,0]=3 1945 B9R1.69 Cc1[n]c(O)ccc1O Amb23555592 [0,1,0,1,0,0|2,0,0]=4 1946 B9R1.69 Cc1cc(O)[n]cc1O Amb20247804 [0,1,0,1,0,0|2,0,0]=4 1947 B9R1.69 Cc1cc(O)c[n]c1O Amb23442962 [0,1,0,1,0,0|2,0,0]=4 1948 B9R1.69 Clc1cc(=O)[nH][nH]c1=O Amb17943118 [0,1,0,1,0,0|2,0,0]=4 1949 B9R1.69 N=C1C=CC(=O)C(O)=C1 Amb24423080 [0,1,0,1,0,0|2,0,0]=4 1950 B9R1.69 NC1=CC(=O)C=CC1=O Amb25727299 [0,1,0,1,0,0|2,0,0]=4 1951 B9R1.69 NC1=CC(=O)NN=C1O Amb25315536 [0,1,0,1,0,0|2,0,0]=4 1952 B9R1.69 Nc1[n]c(O)ccc1O Amb18642371 [0,1,0,1,0,0|2,0,0]=4 1953 B9R1.69 Nc1cc(O)c[n]c1O Amb20242798 [0,1,0,1,0,0|2,0,0]=4 1954 B9R1.69 Nc1cc(O)ccc1O Amb18090830 [0,1,0,1,0,0|2,0,0]=4 1955 B9R1.69 Nc1cc(O)ccc1O Amb22275818 [0,1,0,1,0,0|2,0,0]=4 1956 B9R1.69 Nc1ccc(O)cc1O Amb18553675 [0,1,0,1,0,0|2,0,0]=4 1957 B9R1.69 Nc1ccc(O)cc1O Amb21858039 [0,1,0,1,0,0|2,0,0]=4 1958 B9R1.69 O=C1C=C(I)C(=O)C=C1 Amb24106312 [0,1,0,1,0,0|2,0,0]=4 1959 B9R1.69 O=C1C=CC(=O)C(=C1)F Amb10841415 [0,1,0,1,0,0|2,0,0]=4 1960 B9R1.69 O=C1C=CC(=O)C(=C1)O Amb17593265 [0,1,0,1,0,0|1,0,0]=3 1961 B9R1.69 O=C1C=CC(=O)NC1=O Amb25246852 [0,1,0,1,0,0|1,0,1]=4 1962 B9R1.69 O=C1NNC(=O)C=C1Br Amb22371447 [0,1,0,1,0,0|2,0,0]=4 1963 B9R1.69 O=C1NNC(=O)C=C1Cl Amb20239453 [0,1,0,1,0,0|2,0,0]=4 1964 B9R1.69 O=C1NNC(=O)C=C1F Amb24518623 [0,1,0,1,0,0|2,0,0]=4 1965 B9R1.69 O=C1OC(=O)NC=C1Cl Amb24388063 [0,1,0,1,0,0|2,0,0]=4 1966 B9R1.69 O=C1OC(=O)NC=C1F Amb24477770 [0,1,0,1,0,0|2,0,0]=4 1967 B9R1.69 OC1=CC(=O)C(=O)C=C1 Amb25729969 [0,1,0,1,0,0|1,0,1]=4 1968 B9R1.69 OC1=CC(=O)CCC1=O Amb25046310 [0,1,0,1,0,0|2,0,0]=4 1969 B9R1.69 OC1=CC(=S)C(=O)C=C1 Amb25053137 [0,1,0,1,0,0|1,1,0]=4 1970 B9R1.69 OC1=CC=C(Cl)C(=O)N1 Amb21857184 [0,1,0,1,0,0|2,0,0]=4 1971 B9R1.69 OC1=CC=C(O)NC1=O Amb25196744 [0,1,0,1,0,0|1,0,0]=3 1972 B9R1.69 OC1=CCC(=O)NC1=O Amb25859496 [0,1,0,1,0,0|1,0,1]=4 1973 B9R1.69 OC1=CNC(=O)NC1=O Amb19517092 [0,1,0,1,0,0|2,0,0]=4 1974 B9R1.69 OC1=NNC(=O)C=C1Br Amb19957695 [0,1,0,1,0,0|2,0,0]=4 1975 B9R1.69 OC1C=CC(=O)C(O)O1 Amb24646541 [0,1,0,1,0,0|0,0,2]=4 1976 B9R1.69 OC=1C=C(O)C(=O)NC1 Amb25378791 [0,1,0,1,0,0|2,0,0]=4 1977 B9R1.69 ON1C=CC(=O)NC1=O Amb24478797 [0,1,0,1,0,0|2,0,0]=4 1978 B9R1.69 O[13c]1[13cH][13cH][13c]([13c]([13cH]1)O)Cl Amb17611108 [0,1,0,1,0,0|2,0,0]=4 1979 B9R1.69 O[C@H]1C=CC(=O)[C@H](O)O1 Amb24662499 [0,1,0,1,0,0|0,0,2]=4 1980 B9R1.69 Oc1c[n]c(O)cc1Cl Amb25121321 [0,1,0,1,0,0|2,0,0]=4 1981 B9R1.69 Oc1c[n]c(O)cc1F Amb24764012 [0,1,0,1,0,0|2,0,0]=4 1982 B9R1.69 Oc1cc(F)c(O)cc1 Amb20240579 [0,1,0,1,0,0|2,0,0]=4 1983 B9R1.69 Oc1cc(I)c(O)cc1 Amb24105769 [0,1,0,1,0,0|2,0,0]=4 1984 B9R1.69 Oc1cc(O)c(S)cc1 Amb18643824 [0,1,0,1,0,0|1,1,0]=4 1985 B9R1.69 Oc1ccc(O)[n]c1Cl Amb25147070 [0,1,0,1,0,0|2,0,0]=4 1986 B9R1.69 Oc1ccc(c(c1)O)F Amb16185891 [0,1,0,1,0,0|2,0,0]=4 1987 B9R1.69 Oc1ccc(c(c1)S)O Amb10070964 [0,1,0,1,0,0|1,1,0]=4 1988 B9R1.82 COC(=O)C=1CC(=C)C1 Amb24518088 [0,1,0,1,0,0|2,0,0]=4 1989 B9R1.125 C[C@]1(CO)C=CC(=O)O1 Amb24404816 [0,1,0,1,0,0|1,0,1]=4 1990 B9R1.125 O=C1C=CP(=O)(CCl)O1 Amb24401494 [0,1,0,1,0,0|2,0,0]=4 1991 B9R1.138 CC1(O)C=CC(=O)C1O Amb25358942 [0,1,0,1,0,0|1,0,1]=4 1992 B9R1.138 C[C@]1(O)C=CC(=O)[C@H]1O Amb24690831 [0,1,0,1,0,0|1,0,1]=4 1993 B5R0.5 C=C(Br)C(O)=O Amb20620403 [0,0,0,0,2,0|2,0,0]=4 1994 B5R0.5 C=C(Cl)C(O)=O Amb17933971 [0,0,0,0,2,0|2,0,0]=4 1995 B5R0.5 CC(=C)C(O)=O Amb22230681 [0,0,0,0,2,0|2,0,0]=4 1996 B5R0.5 CC(=C)C(O)=O Amb22337777 [0,0,0,0,2,0|2,0,0]=4 1997 B5R0.5 CC(=C)C(O)=O Amb22351305 [0,0,0,0,2,0|2,0,0]=4 1998 B5R0.5 CC(=C)C(O)=O Amb22351871 [0,0,0,0,2,0|2,0,0]=4 1999 B5R0.5 CC(=C)C(O)=O Amb22351927 [0,0,0,0,2,0|2,0,0]=4 2000 B5R0.5 CC(=O)C(=O)[13CH3] Amb10072163 [0,0,0,0,2,0|2,0,0]=4 2001 B5R0.5 CC(=O)C([O-])=O Amb22043412 [0,0,0,0,2,0|1,0,1]=4 2002 B5R0.5 CC(=O)C([O-])=O Amb22053857 [0,0,0,0,2,0|1,0,1]=4 2003 B5R0.5 CC(=O)C([O-])=O Amb22167358 [0,0,0,0,2,0|1,0,1]=4 2004 B5R0.5 CC(=O)C([O-])=O Amb22733838 [0,0,0,0,2,0|1,0,1]=4 2005 B5R0.5 CC(=O)P(O)=O Amb25368211 [0,0,0,0,2,0|2,0,0]=4 2006 B5R0.5 CC(=O)[13C]([O-])=O Amb22351546 [0,0,0,0,2,0|1,0,1]=4 2007 B5R0.5 CC(O)C(O)=O Amb22350027 [0,0,0,0,2,0|1,0,1]=4 2008 B5R0.5 C[13C](=O)C([O-])=O Amb22056112 [0,0,0,0,2,0|1,0,1]=4 2009 B5R0.5 C[13C](=O)[13C](=O)C Amb17610135 [0,0,0,0,2,0|2,0,0]=4 2010 B5R0.5 C[C@@H](O)C(O)=O Amb22799466 [0,0,0,0,2,0|1,0,1]=4 2011 B5R0.5 ClC(=O)C(=O)C Amb17593107 [0,0,0,0,2,0|2,0,0]=4 2012 B5R0.5 FC(=O)C(=O)F Amb10840380 [0,0,0,0,2,0|2,0,0]=4 2013 B5R0.5 N=C(S)C(O)=O Amb18640468 [0,0,0,0,2,0|1,1,0]=4 2014 B5R0.5 NC(=N)C(=O)O Amb10549353 [0,0,0,0,2,0|2,0,0]=4 2015 B5R0.5 NC(=O)C(=O)C Amb17593028 [0,0,0,0,2,0|2,0,0]=4 2016 B5R0.5 NC(=O)C(=O)Cl Amb24377962 [0,0,0,0,2,0|2,0,0]=4 2017 B5R0.5 NC(=O)C([O-])=O Amb22053860 [0,0,0,0,2,0|1,0,1]=4 2018 B5R0.5 NC(=O)C([O-])=O Amb22351608 [0,0,0,0,2,0|1,0,1]=4 2019 B5R0.5 NC(=O)C([O-])=O Amb22730546 [0,0,0,0,2,0|1,0,1]=4 2020 B5R0.5 NC(O)C(O)=O Amb24663706 [0,0,0,0,2,0|1,0,1]=4 2021 B5R0.5 O=C([S-])C(=O)[S-] Amb22730472 [0,0,0,0,2,0|0,2,0]=4 2022 B5R0.5 O=[13C](Cl)[13C](=O)Cl Amb22353781 [0,0,0,0,2,0|2,0,0]=4 2023 B5R0.5 OC(=O)C(=O)O Amb10608980 [0,0,0,0,2,0|0,0,0]=2 2024 B5R0.5 OC(=O)C(=O)O Amb19134307 [0,0,0,0,2,0|0,0,0]=2 2025 B5R0.5 OC(=O)C(=O)S Amb25375340 [0,0,0,0,2,0|0,1,0]=3 2026 B5R0.5 OC(=O)C(O)=O Amb19374136 [0,0,0,0,2,0|0,0,0]=2 2027 B5R0.5 OC(=O)C(O)=O Amb22002537 [0,0,0,0,2,0|0,0,0]=2 2028 B5R0.5 OC(=O)C(O)=O Amb22231343 [0,0,0,0,2,0|0,0,0]=2 2029 B5R0.5 OC(=O)C(O)=O Amb22352057 [0,0,0,0,2,0|0,0,0]=2 2030 B5R0.5 OC(=O)C(O)=O Amb22353291 [0,0,0,0,2,0|0,0,0]=2 2031 B5R0.5 OC(=O)C(O)=O Amb22360650 [0,0,0,0,2,0|0,0,0]=2 2032 B5R0.5 OC(=O)C(O)=O Amb22360667 [0,0,0,0,2,0|0,0,0]=2 2033 B5R0.5 OC(=O)C(O)=O Amb22363275 [0,0,0,0,2,0|0,0,0]=2 2034 B5R0.5 OC(=O)C(O)=O Amb22363302 [0,0,0,0,2,0|0,0,0]=2 2035 B5R0.5 OC(=O)C(O)=O Amb22394874 [0,0,0,0,2,0|0,0,0]=2 2036 B5R0.5 OC(=O)C(O)=O Amb22436461 [0,0,0,0,2,0|0,0,0]=2 2037 B5R0.5 OC(=O)C(O)=O Amb22731645 [0,0,0,0,2,0|0,0,0]=2 2038 B5R0.5 OC(=O)C(O)=O Amb22731888 [0,0,0,0,2,0|0,0,0]=2 2039 B5R0.5 OC(=O)C(O)=O Amb22897045 [0,0,0,0,2,0|0,0,0]=2 2040 B5R0.5 OC(=O)C(O)=O Amb23412252 [0,0,0,0,2,0|0,0,0]=2 2041 B5R0.5 OC(=O)C(S)=S Amb25695615 [0,0,0,0,2,0|0,2,0]=4 2042 B5R0.5 O[13C](=O)[13C](O)=O Amb22369747 [0,0,0,0,2,0|0,0,0]=2 2043 B5R0.5 O[14C](=O)[14C](O)=O Amb22349945 [0,0,0,0,2,0|0,0,0]=2 2044 B5R0.5 [13CH3]C(=O)C([O-])=O Amb22353396 [0,0,0,0,2,0|1,0,1]=4 2045 B5R0.5 [O-]C(=O)C(O)=O Amb20246604 [0,0,0,0,2,0|0,0,1]=3 2046 B5R0.5 [O-]C(=O)C(O)=O Amb22055985 [0,0,0,0,2,0|0,0,1]=3 2047 B5R0.5 [O-]C(=O)C(O)=O Amb22167952 [0,0,0,0,2,0|0,0,1]=3 2048 B5R0.5 [O-]C(=O)C(O)=O Amb22231328 [0,0,0,0,2,0|0,0,1]=3 2049 B5R0.5 [O-]C(=O)C([O-])=O Amb17678768 [0,0,0,0,2,0|0,0,2]=4 2050 B5R0.5 [O-]C(=O)C([O-])=O Amb17943075 [0,0,0,0,2,0|0,0,2]=4 2051 B5R0.5 [O-]C(=O)C([O-])=O Amb17943080 [0,0,0,0,2,0|0,0,2]=4 2052 B5R0.5 [O-]C(=O)C([O-])=O Amb19516140 [0,0,0,0,2,0|0,0,2]=4 2053 B5R0.5 [O-]C(=O)C([O-])=O Amb20246439 [0,0,0,0,2,0|0,0,2]=4 2054 B5R0.5 [O-]C(=O)C([O-])=O Amb20246440 [0,0,0,0,2,0|0,0,2]=4 2055 B5R0.5 [O-]C(=O)C([O-])=O Amb20246449 [0,0,0,0,2,0|0,0,2]=4 2056 B5R0.5 [O-]C(=O)C([O-])=O Amb20246450 [0,0,0,0,2,0|0,0,2]=4 2057 B5R0.5 [O-]C(=O)C([O-])=O Amb20246484 [0,0,0,0,2,0|0,0,2]=4 2058 B5R0.5 [O-]C(=O)C([O-])=O Amb20246489 [0,0,0,0,2,0|0,0,2]=4 2059 B5R0.5 [O-]C(=O)C([O-])=O Amb21963194 [0,0,0,0,2,0|0,0,2]=4 2060 B5R0.5 [O-]C(=O)C([O-])=O Amb22002099 [0,0,0,0,2,0|0,0,2]=4 2061 B5R0.5 [O-]C(=O)C([O-])=O Amb22008847 [0,0,0,0,2,0|0,0,2]=4 2062 B5R0.5 [O-]C(=O)C([O-])=O Amb22008848 [0,0,0,0,2,0|0,0,2]=4 2063 B5R0.5 [O-]C(=O)C([O-])=O Amb22045372 [0,0,0,0,2,0|0,0,2]=4 2064 B5R0.5 [O-]C(=O)C([O-])=O Amb22045383 [0,0,0,0,2,0|0,0,2]=4 2065 B5R0.5 [O-]C(=O)C([O-])=O Amb22045394 [0,0,0,0,2,0|0,0,2]=4 2066 B5R0.5 [O-]C(=O)C([O-])=O Amb22045421 [0,0,0,0,2,0|0,0,2]=4 2067 B5R0.5 [O-]C(=O)C([O-])=O Amb22045450 [0,0,0,0,2,0|0,0,2]=4 2068 B5R0.5 [O-]C(=O)C([O-])=O Amb22045454 [0,0,0,0,2,0|0,0,2]=4 2069 B5R0.5 [O-]C(=O)C([O-])=O Amb22045456 [0,0,0,0,2,0|0,0,2]=4 2070 B5R0.5 [O-]C(=O)C([O-])=O Amb22045460 [0,0,0,0,2,0|0,0,2]=4 2071 B5R0.5 [O-]C(=O)C([O-])=O Amb22045466 [0,0,0,0,2,0|0,0,2]=4 2072 B5R0.5 [O-]C(=O)C([O-])=O Amb22045574 [0,0,0,0,2,0|0,0,2]=4 2073 B5R0.5 [O-]C(=O)C([O-])=O Amb22045860 [0,0,0,0,2,0|0,0,2]=4 2074 B5R0.5 [O-]C(=O)C([O-])=O Amb22045877 [0,0,0,0,2,0|0,0,2]=4 2075 B5R0.5 [O-]C(=O)C([O-])=O Amb22052446 [0,0,0,0,2,0|0,0,2]=4 2076 B5R0.5 [O-]C(=O)C([O-])=O Amb22052448 [0,0,0,0,2,0|0,0,2]=4 2077 B5R0.5 [O-]C(=O)C([O-])=O Amb22052474 [0,0,0,0,2,0|0,0,2]=4 2078 B5R0.5 [O-]C(=O)C([O-])=O Amb22053405 [0,0,0,0,2,0|0,0,2]=4 2079 B5R0.5 [O-]C(=O)C([O-])=O Amb22053543 [0,0,0,0,2,0|0,0,2]=4 2080 B5R0.5 [O-]C(=O)C([O-])=O Amb22053546 [0,0,0,0,2,0|0,0,2]=4 2081 B5R0.5 [O-]C(=O)C([O-])=O Amb22053547 [0,0,0,0,2,0|0,0,2]=4 2082 B5R0.5 [O-]C(=O)C([O-])=O Amb22053562 [0,0,0,0,2,0|0,0,2]=4 2083 B5R0.5 [O-]C(=O)C([O-])=O Amb22053601 [0,0,0,0,2,0|0,0,2]=4 2084 B5R0.5 [O-]C(=O)C([O-])=O Amb22231460 [0,0,0,0,2,0|0,0,2]=4 2085 B5R0.5 [O-]C(=O)C([O-])=O Amb22264699 [0,0,0,0,2,0|0,0,2]=4 2086 B5R0.5 [O-]C(=O)C([O-])=O Amb22338348 [0,0,0,0,2,0|0,0,2]=4 2087 B5R0.5 [O-]C(=O)C([O-])=O Amb22338401 [0,0,0,0,2,0|0,0,2]=4 2088 B5R0.5 [O-]C(=O)C([O-])=O Amb22338445 [0,0,0,0,2,0|0,0,2]=4 2089 B5R0.5 [O-]C(=O)C([O-])=O Amb22363119 [0,0,0,0,2,0|0,0,2]=4 2090 B5R0.5 [O-]C(=O)C([O-])=O Amb22432231 [0,0,0,0,2,0|0,0,2]=4 2091 B5R0.5 [O-]C(=O)C([O-])=O Amb22730020 [0,0,0,0,2,0|0,0,2]=4 2092 B5R0.5 [O-]C(=O)C([O-])=O Amb22730044 [0,0,0,0,2,0|0,0,2]=4 2093 B5R0.5 [O-]C(=O)C([O-])=O Amb22732203 [0,0,0,0,2,0|0,0,2]=4 2094 B5R0.5 [O-]C(=O)C([O-])=O Amb22732260 [0,0,0,0,2,0|0,0,2]=4 2095 B5R0.5 [O-]C(=O)C([O-])=O Amb22732351 [0,0,0,0,2,0|0,0,2]=4 2096 B5R0.5 [O-]C(=O)C([O-])=O Amb22732671 [0,0,0,0,2,0|0,0,2]=4 2097 B5R0.5 [O-]C(=O)C([O-])=O Amb22732891 [0,0,0,0,2,0|0,0,2]=4 2098 B5R0.5 [O-]C(=O)C([O-])=O Amb22733764 [0,0,0,0,2,0|0,0,2]=4 2099 B5R0.5 [O-]C(=O)C([O-])=O Amb22734003 [0,0,0,0,2,0|0,0,2]=4 2100 B5R0.5 [O-][13C](=O)[13C]([O-])=O Amb22337921 [0,0,0,0,2,0|0,0,2]=4 2101 B9R0.55 C=C(Cl)CN\C=C\C(O)=O Amb25308536 [0,0,0,0,0,2|2,0,0]=4 2102 B9R0.55 CC(=C)CN\C=C\C(O)=O Amb25804662 [0,0,0,0,0,2|2,0,0]=4 2103 B9R0.55 CC(=C)CO\C=C\C(O)=O Amb18643826 [0,0,0,0,0,2|2,0,0]=4 2104 B9R0.55 CC(=C)\C=C\CCC(O)=O Amb24565556 [0,0,0,0,0,2|2,0,0]=4 2105 B9R0.55 CC(=O)C=C\C=C\C(C)=O Amb24693351 [0,0,0,0,0,2|2,0,0]=4 2106 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,0,0,0,2|1,0,0]=3 2107 B9R0.55 CC(=O)C\C=C\CC(C)=O Amb25227383 [0,0,0,0,0,2|2,0,0]=4 2108 B9R0.55 CC(=O)N\C=C\CC(N)=O Amb24584165 [0,0,0,0,0,2|2,0,0]=4 2109 B9R0.55 CC(=O)OC\C=C\C(C)=O Amb25205418 [0,0,0,0,0,2|2,0,0]=4 2110 B9R0.55 CC(=O)OC\C=C\C(O)=O Amb24454652 [0,0,0,0,0,2|1,0,0]=3 2111 B9R0.55 CC(=O)O\C=C\CC(O)=O Amb25844728 [0,0,0,0,0,2|1,0,0]=3 2112 B9R0.55 CC(=O)O\N=C/CC(O)=O Amb24392947 [0,0,0,0,0,2|1,0,1]=4 2113 B9R0.55 CC(=O)\C=C\C=C/C(O)=O Amb18643490 [0,0,0,0,0,2|1,0,0]=3 2114 B9R0.55 CC(=O)\C=C\C=C\C(O)=O Amb24395663 [0,0,0,0,0,2|1,0,0]=3 2115 B9R0.55 CC(O)C#C\C=C/C(O)=O Amb24745668 [0,0,0,0,0,2|1,0,1]=4 2116 B9R0.55 CC(O)CC\C=C\C(O)=O Amb24680771 [0,0,0,0,0,2|1,0,1]=4 2117 B9R0.55 CC(O)CN\C=C\C(O)=O Amb24479663 [0,0,0,0,0,2|1,0,1]=4 2118 B9R0.55 CC(O)\C=C\CCC(O)=O Amb24453133 [0,0,0,0,0,2|1,0,1]=4 2119 B9R0.55 C\C(\O)=C/C=C\C=C(/C)\O Amb24428309 [0,0,0,0,0,2|2,0,0]=4 2120 B9R0.55 NC(=O)C=NN=CC(N)=O Amb25376938 [0,0,0,0,0,2|2,0,0]=4 2121 B9R0.55 NC(=O)CC\C=C\C(N)=O Amb25111607 [0,0,0,0,0,2|2,0,0]=4 2122 B9R0.55 NC(=O)CN\C=C\C(O)=O Amb25342855 [0,0,0,0,0,2|1,0,0]=3 2123 B9R0.55 NC(=O)C\C=C\CC(N)=O Amb25856677 [0,0,0,0,0,2|2,0,0]=4 2124 B9R0.55 NC(=O)N\C=C\NC(N)=O Amb25174416 [0,0,0,0,0,2|2,0,0]=4 2125 B9R0.55 NC(=O)\C=C/SCC(O)=O Amb25061265 [0,0,0,0,0,2|1,0,0]=3 2126 B9R0.55 NC(=O)\C=C\C=C\C(N)=O Amb24736439 [0,0,0,0,0,2|2,0,0]=4 2127 B9R0.55 NC(=O)\C=C\CCC(O)=O Amb25146295 [0,0,0,0,0,2|1,0,0]=3 2128 B9R0.55 NC(=O)\C=N\N=C\C(N)=O Amb25703514 [0,0,0,0,0,2|2,0,0]=4 2129 B9R0.55 OC(=O)C#CC#CC(O)=O Amb24426898 [0,0,0,0,0,2|0,0,2]=4 2130 B9R0.55 OC(=O)C=NOCC(O)=O Amb25175100 [0,0,0,0,0,2|0,0,1]=3 2131 B9R0.55 OC(=O)CCC=CC(O)=O Amb20622952 [0,0,0,0,0,2|0,0,0]=2 2132 B9R0.55 OC(=O)CCCCC(O)=O Amb22043229 [0,0,0,0,0,2|0,0,2]=4 2133 B9R0.55 OC(=O)CCCCC(O)=O Amb22167453 [0,0,0,0,0,2|0,0,2]=4 2134 B9R0.55 OC(=O)CCCCC(O)=O Amb22336279 [0,0,0,0,0,2|0,0,2]=4 2135 B9R0.55 OC(=O)CCCCC(O)=O Amb22338188 [0,0,0,0,0,2|0,0,2]=4 2136 B9R0.55 OC(=O)CCCCC(O)=O Amb22351345 [0,0,0,0,0,2|0,0,2]=4 2137 B9R0.55 OC(=O)CCCCC(O)=O Amb22351401 [0,0,0,0,0,2|0,0,2]=4 2138 B9R0.55 OC(=O)CCCCC(O)=O Amb22351452 [0,0,0,0,0,2|0,0,2]=4 2139 B9R0.55 OC(=O)CCCCC(O)=O Amb22351586 [0,0,0,0,0,2|0,0,2]=4 2140 B9R0.55 OC(=O)CCCCC(O)=O Amb22353360 [0,0,0,0,0,2|0,0,2]=4 2141 B9R0.55 OC(=O)CCCCC(O)=O Amb22363211 [0,0,0,0,0,2|0,0,2]=4 2142 B9R0.55 OC(=O)CC\C=C\C(O)=O Amb24117843 [0,0,0,0,0,2|0,0,0]=2 2143 B9R0.55 OC(=O)CNCCC(O)=O Amb18098292 [0,0,0,0,0,2|0,0,2]=4 2144 B9R0.55 OC(=O)CNNCC(O)=O Amb23438062 [0,0,0,0,0,2|0,0,2]=4 2145 B9R0.55 OC(=O)COCCC(O)=O Amb25046530 [0,0,0,0,0,2|0,0,2]=4 2146 B9R0.55 OC(=O)CSCCC(=O)O Amb17594067 [0,0,0,0,0,2|0,0,2]=4 2147 B9R0.55 OC(=O)C\C=C/CC(O)=O Amb25132103 [0,0,0,0,0,2|0,0,0]=2 2148 B9R0.55 OC(=O)\C=C\C#CC(O)=O Amb25324015 [0,0,0,0,0,2|0,0,0]=2 2149 B9R0.55 OC(=O)\C=C\COS(=O)=O Amb25363399 [0,0,0,0,0,2|1,0,1]=4 2150 B9R0.55 OC(=O)\C=C\SCC(O)=O Amb18645625 [0,0,0,0,0,2|0,0,0]=2 2151 B9R0.55 O[13C](=O)CCCC[13C](O)=O Amb22338172 [0,0,0,0,0,2|0,0,2]=4