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(Br)\C=C\C(=O)O Amb26530913 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 C=C(C)NCC(=O)O Amb9173757 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 C=C(C)\C=C/C(C)=O Amb28061353 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.6 C=C(C)\C=C\B(O)O Amb25348319 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 C=C(C)\C=C\C(=C)C Amb27229870 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.6 C=C(C)\C=C\C(=O)O Amb17593153 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.6 C=C(C)\C=C\C(C)=O Amb33172526 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.6 C=C(C)\C=C\[N+](=O)[O-] Amb33199530 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.6 C=C(N)\C=C\C(=C)O Amb27976241 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.6 C=C(O)\C=C\C(=O)O Amb26391061 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.6 CC(=O)CC=C(C)C Amb17593170 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.6 CC(=O)CCC(=O)O Amb534169 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [0,0,0,0,0,0|1,1,2]=4 19 B7R0.6 CC(=O)CNC(C)=O Amb6297294 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.6 CC(=O)COC(C)=O Amb8517567 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.6 CC(=O)C\C=C(\C)Cl Amb27880641 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.6 CC(=O)NC=C(Cl)Cl Amb2793550 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.6 CC(=O)NCC(N)=O Amb17231824 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.6 CC(=O)NNC(C)=O Amb8516143 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.6 CC(=O)OCC(=O)Cl Amb3939160 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.6 CC(=O)ONC(N)=O Amb28456585 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.6 CC(=O)SCC(=O)Cl Amb24451416 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.6 CC(=O)SSC(C)=O Amb24099405 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.6 CC(=O)\C=C/C(O)O Amb27834325 [0,0,0,0,0,0|1,0,2]=3 34 B7R0.6 CC(=O)\C=C\C(=O)O Amb2722867 [0,0,0,0,0,0|1,0,0]=1 35 B7R0.6 CC(=O)\C=C\C(C)=O Amb22346013 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.6 CC(=O)\C=C\C(C)C Amb28524833 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.6 CC(=O)\C=C\C(C)Cl Amb25782801 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.6 CC(=O)\C=C\C(F)F Amb32811499 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.6 CC(=O)\C=C\C(N)=O Amb24516266 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.6 CC(=O)\C=C\N(C)C Amb4019563 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.6 CC(=O)\N=C\C(=O)O Amb27262053 [0,0,0,0,0,0|2,0,0]=2 42 B7R0.6 CC(=O)\N=C\C(C)O Amb27457691 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.6 CC(=S)NCC(=O)O Amb24325138 [0,0,0,0,0,0|2,1,1]=4 44 B7R0.6 CC(=S)SCC(=O)O Amb25963237 [0,0,0,0,0,0|2,1,1]=4 45 B7R0.6 CC(C)=CC=C(C)C Amb2721453 [0,0,0,0,0,0|4,0,0]=4 46 B7R0.6 CC(C)=CC=C(Cl)Cl Amb20620965 [0,0,0,0,0,0|4,0,0]=4 47 B7R0.6 CC(C)=CCC(=O)O Amb6274419 [0,0,0,0,0,0|2,0,1]=3 48 B7R0.6 CC(C)=CCC(=O)[O-] Amb22491058 [0,0,0,0,0,0|2,0,2]=4 49 B7R0.6 CC(C)\C=C\C(=O)Cl Amb24481563 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.6 CC(C)\C=C\C(=O)O Amb8517064 [0,0,0,0,0,0|2,0,1]=3 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(N)\C=C\C(=O)O Amb33804531 [0,0,0,0,0,0|2,0,1]=3 53 B7R0.6 CC(O)C#CC(=O)O Amb27803065 [0,0,0,0,0,0|1,0,3]=4 54 B7R0.6 CC(O)CCC(=O)O Amb18294804 [0,0,0,0,0,0|1,0,3]=4 55 B7R0.6 CC(O)\C=C\C(C)O Amb22346175 [0,0,0,0,0,0|2,0,2]=4 56 B7R0.6 CN(C)\C=C\C(=O)O Amb25273624 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.6 CN(O)\C=C\C(=O)O Amb27788003 [0,0,0,0,0,0|2,0,0]=2 58 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [0,0,0,0,0,0|2,0,2]=4 59 B7R0.6 CS(=O)NCC(=O)O Amb25237322 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.6 CS(=O)\C=C/C(N)=O Amb27815054 [0,0,0,0,0,0|3,0,0]=3 61 B7R0.6 CS(=O)\C=C\C(=O)O Amb18642965 [0,0,0,0,0,0|2,0,0]=2 62 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [0,0,0,0,0,0|1,0,3]=4 63 B7R0.6 C\C(Cl)=C/CC(N)=O Amb27750566 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.6 C\C(Cl)=C\CC(=O)O Amb27975492 [0,0,0,0,0,0|2,0,1]=3 65 B7R0.6 C\C(O)=N\NC(N)=O Amb17777869 [0,0,0,0,0,0|4,0,0]=4 66 B7R0.6 FC(F)=C\C=C(/F)Cl Amb27971400 [0,0,0,0,0,0|4,0,0]=4 67 B7R0.6 N=C(N)NCC(=O)O Amb16231404 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.6 N=C(N)NCC(=O)O Amb2781642 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.6 N=C(N)SCC(=O)O Amb33544354 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.6 NC(=O)C#CC(N)=O Amb6366606 [0,0,0,0,0,0|2,0,2]=4 71 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [0,0,0,0,0,0|2,0,2]=4 72 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [0,0,0,0,0,0|1,0,2]=3 73 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [0,0,0,0,0,0|2,0,2]=4 74 B7R0.6 NC(=O)CO[PH](=O)O Amb27392553 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.6 NC(=O)NNC(N)=O Amb6366265 [0,0,0,0,0,0|4,0,0]=4 77 B7R0.6 NC(=O)\C=C/C(=O)O Amb2719749 [0,0,0,0,0,0|1,0,0]=1 78 B7R0.6 NC(=O)\C=C/C(N)=O Amb4292114 [0,0,0,0,0,0|2,0,0]=2 79 B7R0.6 NC(=O)\C=C\C(=O)O Amb9277095 [0,0,0,0,0,0|1,0,0]=1 80 B7R0.6 NC(=O)\C=C\C(N)=O Amb6334811 [0,0,0,0,0,0|2,0,0]=2 81 B7R0.6 NC(=O)\N=C\C(=O)O Amb27592464 [0,0,0,0,0,0|2,0,0]=2 82 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [0,0,0,0,0,0|1,1,2]=4 83 B7R0.6 NC(=S)NCC(=O)O Amb9786290 [0,0,0,0,0,0|2,1,1]=4 84 B7R0.6 O=C(Cl)CCC(=O)Cl Amb3940240 [0,0,0,0,0,0|2,0,2]=4 85 B7R0.6 O=C(Cl)SSC(=O)Cl Amb33465476 [0,0,0,0,0,0|4,0,0]=4 86 B7R0.6 O=C(Cl)\C=C\C(=O)Cl Amb8513635 [0,0,0,0,0,0|2,0,0]=2 87 B7R0.6 O=C(Cl)\C=C\C(F)F Amb32415914 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [0,0,0,0,0,0|0,0,2]=2 89 B7R0.6 O=C(O)CC=C(Cl)Cl Amb17593875 [0,0,0,0,0,0|2,0,1]=3 90 B7R0.6 O=C(O)CCB(O)O Amb24640288 [0,0,0,0,0,0|1,0,3]=4 91 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [0,0,0,0,0,0|0,0,2]=2 92 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [0,0,0,0,0,0|0,0,2]=2 93 B7R0.6 O=C(O)CCP(O)O Amb27424479 [0,0,0,0,0,0|1,0,3]=4 94 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [0,0,0,0,0,0|1,0,2]=3 95 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [0,0,0,0,0,0|1,0,3]=4 96 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [0,0,0,0,0,0|1,0,3]=4 97 B7R0.6 O=C(O)CNC(=O)S Amb27424662 [0,0,0,0,0,0|1,1,1]=3 98 B7R0.6 O=C(O)CN[N+](=O)[O-] Amb26397226 [0,0,0,0,0,0|2,0,2]=4 99 B7R0.6 O=C(O)COC(=O)Cl Amb27199161 [0,0,0,0,0,0|2,0,1]=3 100 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [0,0,0,0,0,0|0,0,0]=0 101 B7R0.6 O=C(O)\C=C\B(O)O Amb27864214 [0,0,0,0,0,0|1,0,1]=2 102 B7R0.6 O=C(O)\C=C\C(=O)Cl Amb25890079 [0,0,0,0,0,0|1,0,0]=1 103 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [0,0,0,0,0,0|0,0,0]=0 104 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [0,0,0,0,0,0|0,0,0]=0 105 B7R0.6 O=C(O)\C=C\C(=O)S Amb27468769 [0,0,0,0,0,0|0,1,0]=1 106 B7R0.6 O=C(O)\C=C\C(Cl)Cl Amb26464246 [0,0,0,0,0,0|2,0,1]=3 107 B7R0.6 O=C(O)\C=C\C(F)F Amb24340205 [0,0,0,0,0,0|2,0,1]=3 108 B7R0.6 O=C(O)\C=C\[N+](=O)[O-] Amb25736416 [0,0,0,0,0,0|1,0,1]=2 109 B7R0.6 O=C([O-])C#CC(=O)O Amb19748298 [0,0,0,0,0,0|0,0,3]=3 110 B7R0.6 O=C([O-])C#CC(=O)O Amb2721628 [0,0,0,0,0,0|0,0,3]=3 111 B7R0.6 O=C([O-])C#CC(=O)O Amb33620293 [0,0,0,0,0,0|0,0,3]=3 112 B7R0.6 O=C([O-])C#CC(=O)[O-] Amb29844449 [0,0,0,0,0,0|0,0,4]=4 113 B7R0.6 O=C([O-])CCC(=O)[O-] Amb33512742 [0,0,0,0,0,0|0,0,4]=4 114 B7R0.6 O=C([O-])CCC(=O)[O-] Amb8514379 [0,0,0,0,0,0|0,0,4]=4 115 B7R0.6 O=C([O-])\C=C/C(=O)O Amb22168115 [0,0,0,0,0,0|0,0,1]=1 116 B7R0.6 O=C([O-])\C=C/C(=O)O Amb9787714 [0,0,0,0,0,0|0,0,1]=1 117 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb20246799 [0,0,0,0,0,0|0,0,2]=2 118 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22002520 [0,0,0,0,0,0|0,0,2]=2 119 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22043369 [0,0,0,0,0,0|0,0,2]=2 120 B7R0.6 [BH3-]C(=O)NCC(=O)O Amb27478291 [0,0,0,0,0,0|2,0,1]=3 121 B6R0.4 C#C\C=C\C(=O)O Amb17593056 [1,0,0,0,0,0|1,0,1]=3 122 B6R0.4 C=C(C)\C=C\C=O Amb18120435 [1,0,0,0,0,0|2,0,0]=3 123 B6R0.4 C=C(C)\C=C\CO Amb33473880 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.4 C=C=CCC(=O)O Amb26657414 [1,0,0,0,0,0|1,0,2]=4 125 B6R0.4 C=CCCC(=O)O Amb3940112 [1,0,0,0,0,0|1,0,2]=4 126 B6R0.4 C=CNCC(=O)O Amb28346027 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.4 C=COCC(=O)O Amb27247261 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.4 C=C\C=C/C(C)=O Amb27165543 [1,0,0,0,0,0|2,0,0]=3 129 B6R0.4 C=C\C=C\C(=O)Cl Amb26530329 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.4 CC(=O)CCC=O Amb18639597 [1,0,0,0,0,0|1,0,2]=4 131 B6R0.4 CC(=O)C\C=N\O Amb27750272 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.4 CC(=O)NCC=O Amb25757509 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.4 CC(=O)N\C=C/S Amb27246451 [1,0,0,0,0,0|2,1,0]=4 134 B6R0.4 CC(=O)N\C=C\Cl Amb28132682 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.4 CC(=O)N\C=N\O Amb27255534 [1,0,0,0,0,0|3,0,0]=4 136 B6R0.4 CC(=O)O\C=C/Br Amb27484017 [1,0,0,0,0,0|3,0,0]=4 137 B6R0.4 CC(=O)SCC=O Amb27873378 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.4 CC(=O)\C=C/C#N Amb28050527 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.4 CC(=O)\C=C/C=O Amb27424884 [1,0,0,0,0,0|1,0,0]=2 140 B6R0.4 CC(=O)\C=C\CCl Amb25378305 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.4 CC(=O)\C=C\CF Amb33379250 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.4 CC(C)=CCC=O Amb18120881 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.4 CC(C)=CNC=O Amb27973472 [1,0,0,0,0,0|3,0,0]=4 144 B6R0.4 CC(C)=C\C=C\Br Amb28244792 [1,0,0,0,0,0|3,0,0]=4 145 B6R0.4 CC(C)=C\C=C\Cl Amb27760419 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.4 CC(C)\C=C\C=O Amb8515214 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.4 CC(O)\C=C/CO Amb30621794 [1,0,0,0,0,0|1,0,2]=4 148 B6R0.4 CC(O)\C=C\C=O Amb18639615 [1,0,0,0,0,0|1,0,1]=3 149 B6R0.4 CC=C=CC(=O)O Amb17593065 [1,0,0,0,0,0|1,0,1]=3 150 B6R0.4 CC=C=C[PH](=O)O Amb27430355 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.4 CC\C=C/C(=O)O Amb28429841 [1,0,0,0,0,0|1,0,1]=3 152 B6R0.4 CC\C=C/C(C)=O Amb27835645 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.4 CC\C=C\C(=O)Cl Amb2690073 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.4 CC\C=C\C(=O)O Amb6608967 [1,0,0,0,0,0|1,0,1]=3 155 B6R0.4 CC\C=C\C(C)=O Amb26022886 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.4 CC\C=C\C(N)=O Amb25770876 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.4 CC\N=C\C(=O)O Amb28041425 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.4 CN(C)\C=C\C=O Amb3940430 [1,0,0,0,0,0|3,0,0]=4 159 B6R0.4 CN\C=C\C(C)=O Amb17593076 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.4 CO\C=C/C(C)=O Amb27264758 [1,0,0,0,0,0|3,0,0]=4 161 B6R0.4 CO\C=C\C(=O)Cl Amb25349516 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.4 CO\C=C\C(=O)O Amb18121767 [1,0,0,0,0,0|2,0,0]=3 163 B6R0.4 CO\C=C\C(C)=O Amb8385700 [1,0,0,0,0,0|3,0,0]=4 164 B6R0.4 CO\C=C\C(N)=O Amb27153308 [1,0,0,0,0,0|3,0,0]=4 165 B6R0.4 CO\N=C\C(=O)O Amb10976081 [1,0,0,0,0,0|3,0,0]=4 166 B6R0.4 CS\C=C/C(C)=O Amb27471812 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.4 CS\C=C\C(=O)O Amb30584688 [1,0,0,0,0,0|2,0,0]=3 168 B6R0.4 C\C=C\CC(=O)O Amb3941538 [1,0,0,0,0,0|1,0,1]=3 169 B6R0.4 C\C=C\CC(N)=O Amb26589975 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.4 N#C\C=C\C(=O)O Amb25853809 [1,0,0,0,0,0|1,0,1]=3 171 B6R0.4 N=CNCC(=O)O Amb24670244 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.4 NC(=O)C\C=C/Cl Amb27593169 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.4 NC(=O)NNC=O Amb27874930 [1,0,0,0,0,0|3,0,0]=4 174 B6R0.4 NC\C=C/C(=O)O Amb24117018 [1,0,0,0,0,0|1,0,1]=3 175 B6R0.4 NC\C=C\C(=O)O Amb33422010 [1,0,0,0,0,0|1,0,1]=3 176 B6R0.4 NC\C=C\C(=O)O Amb33422035 [1,0,0,0,0,0|1,0,1]=3 177 B6R0.4 O=C(Cl)\C=C\CCl Amb33294776 [1,0,0,0,0,0|2,0,1]=4 178 B6R0.4 O=C(O)C#CCO Amb22002375 [1,0,0,0,0,0|0,0,3]=4 179 B6R0.4 O=C(O)CCCO Amb18640332 [1,0,0,0,0,0|0,0,3]=4 180 B6R0.4 O=C(O)CCNO Amb28067767 [1,0,0,0,0,0|1,0,2]=4 181 B6R0.4 O=C(O)CPCO Amb28340565 [1,0,0,0,0,0|1,0,2]=4 182 B6R0.4 O=C(O)C\C=C/Br Amb27483815 [1,0,0,0,0,0|1,0,1]=3 183 B6R0.4 O=C(O)C\C=C\Cl Amb25111871 [1,0,0,0,0,0|1,0,1]=3 184 B6R0.4 O=C(O)\C=C\CBr Amb18646194 [1,0,0,0,0,0|1,0,1]=3 185 B6R0.4 O=C(O)\C=C\CCl Amb23399655 [1,0,0,0,0,0|1,0,1]=3 186 B6R0.4 O=C(O)\C=C\CF Amb33470171 [1,0,0,0,0,0|1,0,1]=3 187 B6R0.4 O=C(O)\C=C\CO Amb32662006 [1,0,0,0,0,0|0,0,1]=2 188 B6R0.4 O=C([O-])\C=C\CO Amb33542275 [1,0,0,0,0,0|0,0,2]=3 189 B6R0.4 O=CCCC(=O)O Amb17673897 [1,0,0,0,0,0|0,0,2]=3 190 B6R0.4 O=CNCC(=O)O Amb1911508 [1,0,0,0,0,0|1,0,1]=3 191 B6R0.4 O=COCC(=O)O Amb26624011 [1,0,0,0,0,0|1,0,1]=3 192 B6R0.4 O=C\C=C/C(=O)O Amb26023446 [1,0,0,0,0,0|0,0,0]=1 193 B6R0.4 O=C\C=C\B(O)O Amb22899676 [1,0,0,0,0,0|1,0,1]=3 194 B6R0.4 O=C\C=C\C(F)F Amb33337786 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.4 OC\C=C\B(O)O Amb25354850 [1,0,0,0,0,0|1,0,2]=4 196 B8R0.9 BO\C(O)=C/CC(=O)O Amb27797365 [0,1,0,0,0,0|0,0,2]=3 197 B8R0.9 C#CC(=O)NCC(=O)O Amb6270091 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.9 C=C(C=O)CCC(=O)O Amb27655564 [0,1,0,0,0,0|1,0,2]=4 199 B8R0.9 C=C(O)\C=C/C(=O)C=O Amb27470817 [0,1,0,0,0,0|1,0,1]=3 200 B8R0.9 C=C(\C=C\C(=O)O)CC Amb27229488 [0,1,0,0,0,0|2,0,0]=3 201 B8R0.9 C=C(\C=C\C(C)=O)CC Amb26492679 [0,1,0,0,0,0|3,0,0]=4 202 B8R0.9 C=C(\C=C\[N+](=O)[O-])OC Amb33714755 [0,1,0,0,0,0|2,0,1]=4 203 B8R0.9 C=CC(=O)NCC(=O)O Amb33532656 [0,1,0,0,0,0|2,0,1]=4 204 B8R0.9 C=CC(=O)OCC(=O)O Amb27241348 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.9 C=CC(=O)SCC(=O)O Amb27755823 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.9 C=CC(=O)\C=C\C(C)=O Amb24061722 [0,1,0,0,0,0|2,0,0]=3 207 B8R0.9 C=C\C(C)=C\CC(=O)O Amb33276241 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.9 CC(=O)CCC(=O)NO Amb26971070 [0,1,0,0,0,0|1,0,2]=4 209 B8R0.9 CC(=O)NCC(=O)CO Amb27494067 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.9 CC(=O)NCC(=O)NO Amb25340085 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.9 CC(=O)N\C=C(\C)C=O Amb18642508 [0,1,0,0,0,0|3,0,0]=4 212 B8R0.9 CC(=O)OCC(=O)CO Amb28253910 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.9 CC(=O)O\C=C(\C)C=O Amb27966540 [0,1,0,0,0,0|3,0,0]=4 214 B8R0.9 CC(=O)\C=C\C(O)C=O Amb27798118 [0,1,0,0,0,0|1,0,1]=3 215 B8R0.9 CC(C)=C\C=C(/C)C=O Amb28240306 [0,1,0,0,0,0|3,0,0]=4 216 B8R0.9 CC(\C=C\C(=O)O)=C/Br Amb27650571 [0,1,0,0,0,0|2,0,0]=3 217 B8R0.9 CC(\C=C\C(=O)O)CN Amb27234754 [0,1,0,0,0,0|2,0,1]=4 218 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [0,1,0,0,0,0|1,0,2]=4 219 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [0,1,0,0,0,0|2,0,1]=4 220 B8R0.9 CCC(=O)\C=C/C(=O)O Amb27838748 [0,1,0,0,0,0|1,0,0]=2 221 B8R0.9 CCC(=O)\C=C\C(=O)O Amb18642585 [0,1,0,0,0,0|1,0,0]=2 222 B8R0.9 CCC(=O)\C=C\C(C)O Amb28049154 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.9 CCC(C)\C=C\C(=O)O Amb33171963 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.9 CCC(N)\C=C\C(=O)O Amb27867410 [0,1,0,0,0,0|2,0,1]=4 225 B8R0.9 CCS(=O)\C=C\C(=O)O Amb28347741 [0,1,0,0,0,0|2,0,0]=3 226 B8R0.9 CC[C@@H](C)\C=C\C(=O)O Amb24117189 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.9 CC[C@H](N)\C=C\C(=O)O Amb27878954 [0,1,0,0,0,0|2,0,1]=4 228 B8R0.9 CC\C(C)=C\CC(=O)O Amb22011800 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.9 CNC(=O)CCC(=O)O Amb2720937 [0,1,0,0,0,0|1,0,2]=4 230 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [0,1,0,0,0,0|2,0,1]=4 231 B8R0.9 CNC(=O)OCC(=O)O Amb30018932 [0,1,0,0,0,0|2,0,1]=4 232 B8R0.9 CNC(=O)\C=C/C(=O)O Amb2720469 [0,1,0,0,0,0|1,0,0]=2 233 B8R0.9 CNC(=O)\C=C\C(=O)O Amb9277097 [0,1,0,0,0,0|1,0,0]=2 234 B8R0.9 COC(=O)C=C=C(C)C Amb32423562 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.9 COC(=O)CCC(=O)Cl Amb3939311 [0,1,0,0,0,0|1,0,2]=4 236 B8R0.9 COC(=O)CCC(=O)O Amb6538024 [0,1,0,0,0,0|0,0,2]=3 237 B8R0.9 COC(=O)CCC(C)=O Amb13777321 [0,1,0,0,0,0|1,0,2]=4 238 B8R0.9 COC(=O)CCC(N)=O Amb24323351 [0,1,0,0,0,0|1,0,2]=4 239 B8R0.9 COC(=O)CCS(=O)O Amb25967240 [0,1,0,0,0,0|1,0,2]=4 240 B8R0.9 COC(=O)CNC(C)=O Amb3886556 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.9 COC(=O)CNC(N)=O Amb1126846 [0,1,0,0,0,0|2,0,1]=4 242 B8R0.9 COC(=O)COC(C)=O Amb28049254 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.9 COC(=O)NCC(=O)Cl Amb28388481 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.9 COC(=O)NCC(=O)O Amb3941451 [0,1,0,0,0,0|1,0,1]=3 245 B8R0.9 COC(=O)NCC(C)=O Amb28461105 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.9 COC(=O)NCC(N)=O Amb27640170 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.9 COC(=O)NNC(N)=O Amb27643836 [0,1,0,0,0,0|3,0,0]=4 248 B8R0.9 COC(=O)OCC(=O)Cl Amb8393900 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.9 COC(=O)OCC(=O)O Amb8393899 [0,1,0,0,0,0|1,0,1]=3 250 B8R0.9 COC(=O)\C=C/C(=O)O Amb6295872 [0,1,0,0,0,0|0,0,0]=1 251 B8R0.9 COC(=O)\C=C\B(O)O Amb26080593 [0,1,0,0,0,0|1,0,1]=3 252 B8R0.9 COC(=O)\C=C\C(=O)Cl Amb32664984 [0,1,0,0,0,0|1,0,0]=2 253 B8R0.9 COC(=O)\C=C\C(=O)O Amb33511119 [0,1,0,0,0,0|0,0,0]=1 254 B8R0.9 COC(=O)\C=C\C(C)=O Amb22336182 [0,1,0,0,0,0|1,0,0]=2 255 B8R0.9 COC(=O)\C=C\C(C)C Amb2689521 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.9 COC(=O)\C=C\C(C)N Amb33069659 [0,1,0,0,0,0|2,0,1]=4 257 B8R0.9 COC(=O)\C=C\C(C)N Amb33069671 [0,1,0,0,0,0|2,0,1]=4 258 B8R0.9 COC(=O)\C=C\C(C)O Amb27484758 [0,1,0,0,0,0|1,0,1]=3 259 B8R0.9 COC(=O)\C=C\N(C)C Amb33986628 [0,1,0,0,0,0|3,0,0]=4 260 B8R0.9 COC(=O)\C=C\N(C)O Amb27202378 [0,1,0,0,0,0|2,0,0]=3 261 B8R0.9 COC(=O)\C=C\S(=O)[O-] Amb32755663 [0,1,0,0,0,0|1,0,1]=3 262 B8R0.9 COC(=O)\C=C\S(C)=O Amb28049230 [0,1,0,0,0,0|2,0,0]=3 263 B8R0.9 COC(=O)\C=C\[C@@H](C)N Amb27252211 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.9 COC(=S)SCC(=O)O Amb26653180 [0,1,0,0,0,0|1,1,1]=4 265 B8R0.9 COC(C)\C=C\C(=O)O Amb27203687 [0,1,0,0,0,0|1,0,1]=3 266 B8R0.9 COC(C)\C=C\C(C)=O Amb27841431 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.9 CON(C)\C=C\C(=O)O Amb35734889 [0,1,0,0,0,0|2,0,0]=3 268 B8R0.9 CO\C(C)=C\CC(=O)O Amb27963206 [0,1,0,0,0,0|1,0,1]=3 269 B8R0.9 CO\P(=O)=C\CC(=O)O Amb27199324 [0,1,0,0,0,0|1,0,1]=3 270 B8R0.9 CSC(=O)\C=C/C(C)=O Amb27256793 [0,1,0,0,0,0|1,1,0]=3 271 B8R0.9 C\C(=C\C=C(Cl)Cl)CO Amb27801560 [0,1,0,0,0,0|3,0,0]=4 272 B8R0.9 C\C(C#N)=C\CC(=O)O Amb27196398 [0,1,0,0,0,0|2,0,1]=4 273 B8R0.9 C\C(CCC(=O)O)=N/O Amb25138471 [0,1,0,0,0,0|1,0,2]=4 274 B8R0.9 C\C=C(C)/C=C/C(=O)O Amb27838460 [0,1,0,0,0,0|2,0,0]=3 275 B8R0.9 C\C=C(C)/C=C/C(C)=O Amb27428251 [0,1,0,0,0,0|3,0,0]=4 276 B8R0.9 C\C=C(C)\C=C/C(C)=O Amb28199822 [0,1,0,0,0,0|3,0,0]=4 277 B8R0.9 C\C=C(C)\C=C\C(=O)O Amb18642399 [0,1,0,0,0,0|2,0,0]=3 278 B8R0.9 C\C=C(Cl)\C=C\C(=O)O Amb28137785 [0,1,0,0,0,0|2,0,0]=3 279 B8R0.9 C\C=C(F)\C=C\C(=O)O Amb27826588 [0,1,0,0,0,0|2,0,0]=3 280 B8R0.9 NC(=O)NNC(=O)CO Amb25328968 [0,1,0,0,0,0|3,0,0]=4 281 B8R0.9 NC(=O)\N=C\C(O)=C\O Amb27436209 [0,1,0,0,0,0|2,0,1]=4 282 B8R0.9 NCC(=O)CCC(=O)O Amb2720232 [0,1,0,0,0,0|1,0,2]=4 283 B8R0.9 NCC(=O)CCC(=O)O Amb5395775 [0,1,0,0,0,0|1,0,2]=4 284 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [0,1,0,0,0,0|2,0,1]=4 285 B8R0.9 NCC(=O)NCC(=O)O Amb8382637 [0,1,0,0,0,0|2,0,1]=4 286 B8R0.9 NNC(=O)NCC(=O)O Amb27623574 [0,1,0,0,0,0|2,0,1]=4 287 B8R0.9 O=C(O)CCC(=O)CCl Amb25736440 [0,1,0,0,0,0|1,0,2]=4 288 B8R0.9 O=C(O)CC\C(O)=N\O Amb24745795 [0,1,0,0,0,0|0,0,3]=4 289 B8R0.9 O=C(O)CNC(=O)CCl Amb1144436 [0,1,0,0,0,0|2,0,1]=4 290 B8R0.9 O=C(O)CNC(=O)CO Amb18124375 [0,1,0,0,0,0|1,0,1]=3 291 B8R0.9 O=C(O)COC(=O)CCl Amb18644547 [0,1,0,0,0,0|2,0,1]=4 292 B8R0.9 O=C(O)CSC(=O)CS Amb27213308 [0,1,0,0,0,0|1,1,1]=4 293 B8R0.9 O=C(O)\C=C\C(=O)NO Amb28060797 [0,1,0,0,0,0|0,0,0]=1 294 B8R0.9 O=C(O)\C=C\C(O)CO Amb18642875 [0,1,0,0,0,0|0,0,2]=3 295 B8R0.9 O=C(O)\C=C\[C@H](O)CO Amb27437218 [0,1,0,0,0,0|0,0,2]=3 296 B8R0.9 O=CC(=O)CCC(=O)O Amb18642737 [0,1,0,0,0,0|0,0,3]=4 297 B8R0.9 O=NN(O)CCC(=O)O Amb27495384 [0,1,0,0,0,0|1,0,2]=4 298 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [0,1,0,0,0,0|0,0,2]=3 299 B8R0.23 C=C(C)CC(=O)C(=O)O Amb28073130 [0,1,0,0,0,0|2,0,1]=4 300 B8R0.23 C=C(C)\C(C)=C\C(=O)O Amb17593311 [0,1,0,0,0,0|2,0,0]=3 301 B8R0.23 C=C(C)\C(C)=C\C(C)=O Amb28130583 [0,1,0,0,0,0|3,0,0]=4 302 B8R0.23 C=C(C)\C(Cl)=C/C(C)=O Amb27826885 [0,1,0,0,0,0|3,0,0]=4 303 B8R0.23 C=C(C)\C(Cl)=C\C(C)=O Amb28052286 [0,1,0,0,0,0|3,0,0]=4 304 B8R0.23 C=C(C)\C(O)=C\C(C)=O Amb27844297 [0,1,0,0,0,0|3,0,0]=4 305 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl Amb17938995 [0,1,0,0,0,0|2,0,1]=4 306 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [0,1,0,0,0,0|0,0,1]=2 307 B8R0.23 C=C(CC(=O)O)C(C)=O Amb27831643 [0,1,0,0,0,0|1,0,1]=3 308 B8R0.23 C=C(CC(=O)O)C(N)=O Amb22011744 [0,1,0,0,0,0|1,0,1]=3 309 B8R0.23 C=C(CN(C)O)C(=O)O Amb27640409 [0,1,0,0,0,0|2,0,1]=4 310 B8R0.23 C=C(Cl)\C(C)=C\C(C)=O Amb27785458 [0,1,0,0,0,0|3,0,0]=4 311 B8R0.23 C=C(NC(C)=O)C(=O)O Amb8513049 [0,1,0,0,0,0|2,0,0]=3 312 B8R0.23 C=C(NC(C)=O)C(N)=O Amb27984135 [0,1,0,0,0,0|3,0,0]=4 313 B8R0.23 C=C(OC(C)=O)C(C)=O Amb27838658 [0,1,0,0,0,0|3,0,0]=4 314 B8R0.23 C=C(SC(=N)N)C(=O)O Amb27181152 [0,1,0,0,0,0|3,0,0]=4 315 B8R0.23 CC(=O)C(=O)C=C(C)C Amb27843950 [0,1,0,0,0,0|3,0,0]=4 316 B8R0.23 CC(=O)C(=O)CC(=O)O Amb17593364 [0,1,0,0,0,0|1,0,1]=3 317 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [0,1,0,0,0,0|1,0,2]=4 318 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [0,1,0,0,0,0|1,0,2]=4 319 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [0,1,0,0,0,0|1,0,2]=4 320 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [0,1,0,0,0,0|1,0,2]=4 321 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [0,1,0,0,0,0|1,0,1]=3 322 B8R0.23 CC(=O)CC(=O)C(C)=O Amb25806867 [0,1,0,0,0,0|2,0,1]=4 323 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [0,1,0,0,0,0|1,0,2]=4 324 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [0,1,0,0,0,0|1,0,2]=4 325 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [0,1,0,0,0,0|1,0,2]=4 326 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [0,1,0,0,0,0|1,0,2]=4 327 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [0,1,0,0,0,0|1,0,2]=4 328 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [0,1,0,0,0,0|1,0,2]=4 329 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [0,1,0,0,0,0|1,0,2]=4 330 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [0,1,0,0,0,0|1,0,2]=4 331 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [0,1,0,0,0,0|1,0,2]=4 332 B8R0.23 CC(=O)N(C)CC(=O)O Amb33526797 [0,1,0,0,0,0|2,0,1]=4 333 B8R0.23 CC(=O)N(Cl)CC(=O)O Amb28366945 [0,1,0,0,0,0|2,0,1]=4 334 B8R0.23 CC(=O)NC(=O)C(C)=O Amb28245557 [0,1,0,0,0,0|3,0,0]=4 335 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [0,1,0,0,0,0|2,0,1]=4 336 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [0,1,0,0,0,0|2,0,1]=4 337 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [0,1,0,0,0,0|2,0,1]=4 338 B8R0.23 CC(=O)OC(=O)C(C)=O Amb26528827 [0,1,0,0,0,0|3,0,0]=4 339 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [0,1,0,0,0,0|2,0,1]=4 340 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [0,1,0,0,0,0|2,0,1]=4 341 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [0,1,0,0,0,0|2,0,1]=4 342 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [0,1,0,0,0,0|2,0,1]=4 343 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [0,1,0,0,0,0|2,0,1]=4 344 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [0,1,0,0,0,0|1,0,2]=4 345 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [0,1,0,0,0,0|1,0,2]=4 346 B8R0.23 CC(=O)\C(Br)=C\C(=O)O Amb27983634 [0,1,0,0,0,0|1,0,0]=2 347 B8R0.23 CC(=O)\C(C)=C/C(C)O Amb27838725 [0,1,0,0,0,0|2,0,1]=4 348 B8R0.23 CC(=O)\C(C)=C\C(=O)O Amb27838567 [0,1,0,0,0,0|1,0,0]=2 349 B8R0.23 CC(=O)\C(C)=C\[N+](=O)[O-] Amb26899998 [0,1,0,0,0,0|2,0,1]=4 350 B8R0.23 CC(=O)\C=C(/C)C(=O)O Amb18642577 [0,1,0,0,0,0|1,0,0]=2 351 B8R0.23 CC(=O)\C=C(/C)[PH](=O)O Amb27838812 [0,1,0,0,0,0|2,0,0]=3 352 B8R0.23 CC(=O)\C=C(/N)C(=O)O Amb28206217 [0,1,0,0,0,0|1,0,0]=2 353 B8R0.23 CC(=O)\C=C(/O)C(=O)O Amb28122229 [0,1,0,0,0,0|1,0,0]=2 354 B8R0.23 CC(=O)\C=C(\Br)C(=O)O Amb27419942 [0,1,0,0,0,0|1,0,0]=2 355 B8R0.23 CC(=O)\C=C(\C)[PH](=O)O Amb28248338 [0,1,0,0,0,0|2,0,0]=3 356 B8R0.23 CC(=O)\C=C(\O)C(=O)O Amb25856143 [0,1,0,0,0,0|1,0,0]=2 357 B8R0.23 CC(=O)\N=C(/C)C(C)=O Amb26476592 [0,1,0,0,0,0|3,0,0]=4 358 B8R0.23 CC(C)=C(C)CC(=O)O Amb18642613 [0,1,0,0,0,0|2,0,1]=4 359 B8R0.23 CC(C)=CC(O)C(=O)O Amb28346343 [0,1,0,0,0,0|2,0,1]=4 360 B8R0.23 CC(C)=C[C@@H](O)C(=O)O Amb27228179 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.23 CC(C)=C[C@H](O)C(=O)O Amb27473652 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.23 CC(C)\C=C(/F)C(=O)O Amb34913203 [0,1,0,0,0,0|2,0,1]=4 363 B8R0.23 CC(C)\C=C(\Br)C(=O)O Amb27789870 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.23 CC(C)\C=C(\F)C(=O)O Amb27838509 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,1,0,0,0,0|0,0,2]=3 366 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [0,1,0,0,0,0|1,0,2]=4 367 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [0,1,0,0,0,0|1,0,2]=4 368 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [0,1,0,0,0,0|1,0,2]=4 369 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [0,1,0,0,0,0|1,0,2]=4 370 B8R0.23 CC(Cl)\C=C(\O)C(=O)O Amb27658885 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.23 CC(NC(N)=O)C(=O)O Amb9745673 [0,1,0,0,0,0|2,0,1]=4 372 B8R0.23 CC(O)CC(=O)C(=O)O Amb25789747 [0,1,0,0,0,0|1,0,2]=4 373 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [0,1,0,0,0,0|2,0,1]=4 374 B8R0.23 CN(CC(=O)O)C(=O)Cl Amb27484119 [0,1,0,0,0,0|2,0,1]=4 375 B8R0.23 CN(CC(=O)O)C(N)=O Amb2371395 [0,1,0,0,0,0|2,0,1]=4 376 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [0,1,0,0,0,0|0,0,2]=3 377 B8R0.23 C[C@@H](NC(N)=O)C(=O)O Amb27242972 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [0,1,0,0,0,0|2,0,1]=4 379 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [0,1,0,0,0,0|0,0,2]=3 380 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [0,1,0,0,0,0|1,0,2]=4 381 B8R0.23 C[C@H](NC(N)=O)C(=O)O Amb545023 [0,1,0,0,0,0|2,0,1]=4 382 B8R0.23 C\C(=C/C(=O)O)C(=O)O Amb9703112 [0,1,0,0,0,0|0,0,0]=1 383 B8R0.23 C\C(=C/C(=O)O)C(C)C Amb17506861 [0,1,0,0,0,0|2,0,1]=4 384 B8R0.23 C\C(=C/C(=O)O)C(F)F Amb33620436 [0,1,0,0,0,0|2,0,1]=4 385 B8R0.23 C\C(=C/C(=O)O)C(N)=O Amb28350555 [0,1,0,0,0,0|1,0,0]=2 386 B8R0.23 C\C(=C/C(C)C)C(=O)O Amb18642616 [0,1,0,0,0,0|2,0,1]=4 387 B8R0.23 C\C(=C/C(N)=O)C(=O)O Amb28060883 [0,1,0,0,0,0|1,0,0]=2 388 B8R0.23 C\C(=C/C(N)=O)C(N)=O Amb27447197 [0,1,0,0,0,0|2,0,0]=3 389 B8R0.23 C\C(=C/[N+](=O)[O-])C(=O)O Amb27201518 [0,1,0,0,0,0|1,0,1]=3 390 B8R0.23 C\C(=C\C(=O)O)C(=O)O Amb8391132 [0,1,0,0,0,0|0,0,0]=1 391 B8R0.23 C\C(=C\C(C)N)C(=O)O Amb25731207 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.23 C\C(Cl)=C/C(C)C(=O)O Amb28285105 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.23 C\C(Cl)=C/C(Cl)C(=O)O Amb28128482 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.23 NC(=O)C(=S)CC(O)=S Amb28323012 [0,1,0,0,0,0|1,1,1]=4 395 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [0,1,0,0,0,0|1,0,2]=4 396 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [0,1,0,0,0,0|1,0,2]=4 397 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [0,1,0,0,0,0|1,0,2]=4 398 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [0,1,0,0,0,0|1,0,2]=4 399 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [0,1,0,0,0,0|1,0,2]=4 400 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [0,1,0,0,0,0|1,0,2]=4 401 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [0,1,0,0,0,0|1,0,2]=4 402 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [0,1,0,0,0,0|1,0,2]=4 403 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [0,1,0,0,0,0|1,0,2]=4 404 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [0,1,0,0,0,0|1,0,2]=4 405 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [0,1,0,0,0,0|1,0,2]=4 406 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [0,1,0,0,0,0|1,0,2]=4 407 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [0,1,0,0,0,0|1,0,2]=4 408 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [0,1,0,0,0,0|1,0,2]=4 409 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [0,1,0,0,0,0|1,0,2]=4 410 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [0,1,0,0,0,0|1,0,2]=4 411 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [0,1,0,0,0,0|1,0,2]=4 412 B8R0.23 NC(=O)N(N)CC(=O)O Amb6296397 [0,1,0,0,0,0|2,0,1]=4 413 B8R0.23 NC(=O)NC(=O)C(=O)O Amb18124345 [0,1,0,0,0,0|2,0,0]=3 414 B8R0.23 NC(=O)NC(=O)C(N)=O Amb27173126 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.23 NC(=O)NC(O)C(=O)O Amb24592607 [0,1,0,0,0,0|2,0,1]=4 416 B8R0.23 NC(=O)N[C@@H](O)C(=O)O Amb28287313 [0,1,0,0,0,0|2,0,1]=4 417 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [0,1,0,0,0,0|1,0,2]=4 418 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [0,1,0,0,0,0|1,0,2]=4 419 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [0,1,0,0,0,0|1,0,2]=4 420 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [0,1,0,0,0,0|1,0,2]=4 421 B8R0.23 NC(=O)\C(N)=C\C(=O)O Amb28046027 [0,1,0,0,0,0|1,0,0]=2 422 B8R0.23 NC(=O)\C=C(/Cl)C(=O)O Amb27815058 [0,1,0,0,0,0|1,0,0]=2 423 B8R0.23 NC(=O)\C=C(/N)C(N)=O Amb5728013 [0,1,0,0,0,0|2,0,0]=3 424 B8R0.23 NC(=O)\C=C(\Br)C(N)=O Amb28049599 [0,1,0,0,0,0|2,0,0]=3 425 B8R0.23 NC(=O)\C=C(\F)C(=O)O Amb27447226 [0,1,0,0,0,0|1,0,0]=2 426 B8R0.23 NC(C=C(Cl)Cl)C(=O)O Amb22350718 [0,1,0,0,0,0|2,0,1]=4 427 B8R0.23 NC(C=S(=O)=O)C(=O)O Amb27231764 [0,1,0,0,0,0|1,0,2]=4 428 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [0,1,0,0,0,0|0,0,2]=3 429 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [0,1,0,0,0,0|0,0,3]=4 430 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [0,1,0,0,0,0|0,0,3]=4 431 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [0,1,0,0,0,0|1,0,2]=4 432 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [0,1,0,0,0,0|0,0,2]=3 433 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [0,1,0,0,0,0|0,0,2]=3 434 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [0,1,0,0,0,0|0,0,3]=4 435 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [0,1,0,0,0,0|0,0,3]=4 436 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [0,1,0,0,0,0|0,0,3]=4 437 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [0,1,0,0,0,0|1,0,2]=4 438 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [0,1,0,0,0,0|1,0,2]=4 439 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [0,1,0,0,0,0|0,0,2]=3 440 B8R0.23 N\C(=C/C(=O)O)C(F)F Amb27607399 [0,1,0,0,0,0|2,0,1]=4 441 B8R0.23 O=C(O)C(=O)C[PH](=O)O Amb27218009 [0,1,0,0,0,0|1,0,1]=3 442 B8R0.23 O=C(O)CC(=O)C(=O)O Amb3909986 [0,1,0,0,0,0|0,0,1]=2 443 B8R0.23 O=C(O)CC(=S)C(=O)O Amb25304511 [0,1,0,0,0,0|0,0,1]=2 444 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [0,1,0,0,0,0|0,0,2]=3 445 B8R0.23 O=C(O)CC(Cl)=C(Cl)Cl Amb2227973 [0,1,0,0,0,0|2,0,1]=4 446 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [0,1,0,0,0,0|0,0,2]=3 447 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [0,1,0,0,0,0|0,0,2]=3 448 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [0,1,0,0,0,0|0,0,2]=3 449 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [0,1,0,0,0,0|0,0,2]=3 450 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [0,1,0,0,0,0|0,0,2]=3 451 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [0,1,0,0,0,0|0,0,2]=3 452 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [0,1,0,0,0,0|0,0,2]=3 453 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [0,1,0,0,0,0|0,0,2]=3 454 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [0,1,0,0,0,0|0,0,2]=3 455 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [0,1,0,0,0,0|0,0,2]=3 456 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [0,1,0,0,0,0|0,0,2]=3 457 B8R0.23 O=C(O)\C=C(/Br)C(=O)O Amb31275762 [0,1,0,0,0,0|0,0,0]=1 458 B8R0.23 O=C(O)\C=C(/Cl)C(=O)O Amb4007497 [0,1,0,0,0,0|0,0,0]=1 459 B8R0.23 O=C(O)\C=C(/F)C(=O)O Amb26860064 [0,1,0,0,0,0|0,0,0]=1 460 B8R0.23 O=C(O)\C=C(/I)C(=O)O Amb10755055 [0,1,0,0,0,0|0,0,0]=1 461 B8R0.23 O=C(O)\C=C(\Br)C(=O)O Amb25746120 [0,1,0,0,0,0|0,0,0]=1 462 B8R0.23 O=C(O)\C=C(\F)C(=O)O Amb18124397 [0,1,0,0,0,0|0,0,0]=1 463 B8R0.29 CC(=O)\C=C\[Si](C)(C)O Amb26515836 [0,1,0,0,0,0|2,1,0]=4 464 B8R0.29 CC(C)(C)\C=C\C(=O)O Amb30585155 [0,1,0,0,0,0|2,0,1]=4 465 B8R0.29 CC(C)(F)\C=C\C(=O)O Amb33272218 [0,1,0,0,0,0|2,0,1]=4 466 B8R0.29 CC(C)(N)\C=C\C(=O)O Amb26640960 [0,1,0,0,0,0|2,0,1]=4 467 B8R0.29 CC(F)(F)\C=C\C(=O)O Amb22295928 [0,1,0,0,0,0|2,0,1]=4 468 B8R0.29 CP(=O)(O)CCC(=O)O Amb1792559 [0,1,0,0,0,0|1,0,2]=4 469 B8R0.29 CP(=O)(O)OCC(=O)O Amb26578720 [0,1,0,0,0,0|2,0,1]=4 470 B8R0.29 CS(=O)(=O)\C=C\C(=O)O Amb23511152 [0,1,0,0,0,0|1,0,1]=3 471 B8R0.29 CS(=O)(=O)\C=C\C(N)=O Amb26597337 [0,1,0,0,0,0|2,0,1]=4 472 B8R0.29 O=C(O)CCP(=O)(O)O Amb2228990 [0,1,0,0,0,0|1,0,2]=4 473 B8R0.29 O=C(O)CCS(=O)(=O)O Amb17399954 [0,1,0,0,0,0|1,0,2]=4 474 B8R0.29 O=C(O)COP(=O)(O)O Amb24442945 [0,1,0,0,0,0|2,0,1]=4 475 B8R0.29 O=C(O)\C=C\C(F)(F)Br Amb10838817 [0,1,0,0,0,0|2,0,1]=4 476 B8R0.29 O=C(O)\C=C\C(F)(F)F Amb34063927 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.29 O=C(O)\C=C\P(=O)(O)O Amb25242468 [0,1,0,0,0,0|1,0,0]=2 478 B8R0.29 O=C(O)\C=C\S(=O)(=O)Cl Amb25250579 [0,1,0,0,0,0|1,0,1]=3 479 B8R1.3 CC1=CNC(=O)C=C1 Amb18039971 [0,0,0,1,0,0|3,0,0]=4 480 B8R1.3 CC1=CNC(=O)CO1 Amb27390806 [0,0,0,1,0,0|3,0,0]=4 481 B8R1.3 CC1=COC(=O)C=C1 Amb27595539 [0,0,0,1,0,0|2,0,0]=3 482 B8R1.3 CC1=NNC(=O)C=C1 Amb18372841 [0,0,0,1,0,0|3,0,0]=4 483 B8R1.3 CC1=NNC(=O)C=C1 Amb19373006 [0,0,0,1,0,0|3,0,0]=4 484 B8R1.3 CC1=NNC(=O)C=C1 Amb19894726 [0,0,0,1,0,0|3,0,0]=4 485 B8R1.3 Cc1ccc(O)cc1 Amb2793057 [0,0,0,1,0,0|3,0,0]=4 486 B8R1.3 Cc1ccc(O)cn1 Amb2609944 [0,0,0,1,0,0|3,0,0]=4 487 B8R1.3 Cc1ccc(O)nc1 Amb2722524 [0,0,0,1,0,0|3,0,0]=4 488 B8R1.3 Cc1ccc(O)nc1 Amb35826776 [0,0,0,1,0,0|3,0,0]=4 489 B8R1.3 Cc1ccc(O)nn1 Amb2794468 [0,0,0,1,0,0|3,0,0]=4 490 B8R1.3 NC1=CNC(=O)C=C1 Amb19958325 [0,0,0,1,0,0|3,0,0]=4 491 B8R1.3 NC1=NNC(=O)C=C1 Amb18124225 [0,0,0,1,0,0|3,0,0]=4 492 B8R1.3 NC1=NNC(=O)C=C1 Amb24271086 [0,0,0,1,0,0|3,0,0]=4 493 B8R1.3 Nc1ccc(O)cc1 Amb22732595 [0,0,0,1,0,0|3,0,0]=4 494 B8R1.3 Nc1ccc(O)cc1 Amb6456547 [0,0,0,1,0,0|3,0,0]=4 495 B8R1.3 Nc1ccc(O)cc1 Amb8516484 [0,0,0,1,0,0|3,0,0]=4 496 B8R1.3 Nc1ccc(O)cc1 Amb8629248 [0,0,0,1,0,0|3,0,0]=4 497 B8R1.3 Nc1ccc(O)cn1 Amb19894703 [0,0,0,1,0,0|3,0,0]=4 498 B8R1.3 Nc1ccc(O)cn1 Amb22304742 [0,0,0,1,0,0|3,0,0]=4 499 B8R1.3 Nc1ccc(O)cn1 Amb2699118 [0,0,0,1,0,0|3,0,0]=4 500 B8R1.3 Nc1ccc(O)nc1 Amb2610801 [0,0,0,1,0,0|3,0,0]=4 501 B8R1.3 Nc1ccc(O)nc1 Amb8631698 [0,0,0,1,0,0|3,0,0]=4 502 B8R1.3 Nc1ccc(O)nn1 Amb18943976 [0,0,0,1,0,0|3,0,0]=4 503 B8R1.3 Nc1ccc(O)nn1 Amb33537423 [0,0,0,1,0,0|3,0,0]=4 504 B8R1.3 O=C1C=CC(=O)C=C1 Amb6600120 [0,0,0,1,0,0|2,0,0]=3 505 B8R1.3 O=C1C=CC(=O)C=C1 Amb8516773 [0,0,0,1,0,0|2,0,0]=3 506 B8R1.3 O=C1C=CC(=O)N=N1 Amb22498641 [0,0,0,1,0,0|2,0,0]=3 507 B8R1.3 O=C1C=CC(=O)NN1 Amb19651991 [0,0,0,1,0,0|2,0,0]=3 508 B8R1.3 O=C1C=CC(Br)=CN1 Amb18010721 [0,0,0,1,0,0|3,0,0]=4 509 B8R1.3 O=C1C=CC(Br)=NN1 Amb22491266 [0,0,0,1,0,0|3,0,0]=4 510 B8R1.3 O=C1C=CC(Cl)=CN1 Amb18039972 [0,0,0,1,0,0|3,0,0]=4 511 B8R1.3 O=C1C=CC(Cl)=CO1 Amb20247269 [0,0,0,1,0,0|2,0,0]=3 512 B8R1.3 O=C1C=CC(Cl)=NN1 Amb19148928 [0,0,0,1,0,0|3,0,0]=4 513 B8R1.3 O=C1C=CC(F)=CN1 Amb18040570 [0,0,0,1,0,0|3,0,0]=4 514 B8R1.3 O=C1C=CC(F)=NN1 Amb22387070 [0,0,0,1,0,0|3,0,0]=4 515 B8R1.3 O=C1C=CC(I)=CN1 Amb22001395 [0,0,0,1,0,0|3,0,0]=4 516 B8R1.3 O=C1C=CC(I)=CO1 Amb20247268 [0,0,0,1,0,0|2,0,0]=3 517 B8R1.3 O=C1C=CC(I)=NN1 Amb24445162 [0,0,0,1,0,0|3,0,0]=4 518 B8R1.3 O=C1C=CC(O)=CN1 Amb19889905 [0,0,0,1,0,0|2,0,0]=3 519 B8R1.3 O=C1C=CC(O)=NN1 Amb22058718 [0,0,0,1,0,0|2,0,0]=3 520 B8R1.3 O=C1C=CC(O)CC1 Amb28048996 [0,0,0,1,0,0|2,0,1]=4 521 B8R1.3 O=C1C=CC(O)OC1 Amb17593180 [0,0,0,1,0,0|1,0,2]=4 522 B8R1.3 O=C1C=CN(O)C=C1 Amb24608607 [0,0,0,1,0,0|3,0,0]=4 523 B8R1.3 O=C1C=CS(=O)CC1 Amb27948688 [0,0,0,1,0,0|3,0,0]=4 524 B8R1.3 O=C1C=NC(=O)NN1 Amb27245613 [0,0,0,1,0,0|3,0,0]=4 525 B8R1.3 O=C1CCC(=O)OC1 Amb26404271 [0,0,0,1,0,0|1,0,2]=4 526 B8R1.3 O=C1CNC(=O)C=N1 Amb27838363 [0,0,0,1,0,0|3,0,0]=4 527 B8R1.3 O=C1COC(=O)CN1 Amb2612815 [0,0,0,1,0,0|2,0,1]=4 528 B8R1.3 O=C1COC(=O)CO1 Amb2725557 [0,0,0,1,0,0|2,0,1]=4 529 B8R1.3 O=c1ccc(Br)co1 Amb22231971 [0,0,0,1,0,0|2,0,0]=3 530 B8R1.3 Oc1ccc(Br)cc1 Amb2685387 [0,0,0,1,0,0|3,0,0]=4 531 B8R1.3 Oc1ccc(Br)cn1 Amb6366091 [0,0,0,1,0,0|3,0,0]=4 532 B8R1.3 Oc1ccc(Br)nc1 Amb8386698 [0,0,0,1,0,0|3,0,0]=4 533 B8R1.3 Oc1ccc(Br)nn1 Amb10599725 [0,0,0,1,0,0|3,0,0]=4 534 B8R1.3 Oc1ccc(Cl)cc1 Amb2793047 [0,0,0,1,0,0|3,0,0]=4 535 B8R1.3 Oc1ccc(Cl)cn1 Amb2795178 [0,0,0,1,0,0|3,0,0]=4 536 B8R1.3 Oc1ccc(Cl)nc1 Amb2612341 [0,0,0,1,0,0|3,0,0]=4 537 B8R1.3 Oc1ccc(Cl)nn1 Amb9214994 [0,0,0,1,0,0|3,0,0]=4 538 B8R1.3 Oc1ccc(F)cc1 Amb2688292 [0,0,0,1,0,0|3,0,0]=4 539 B8R1.3 Oc1ccc(F)cn1 Amb32729351 [0,0,0,1,0,0|3,0,0]=4 540 B8R1.3 Oc1ccc(F)cn1 Amb8393030 [0,0,0,1,0,0|3,0,0]=4 541 B8R1.3 Oc1ccc(F)nc1 Amb8394587 [0,0,0,1,0,0|3,0,0]=4 542 B8R1.3 Oc1ccc(I)cc1 Amb4605825 [0,0,0,1,0,0|3,0,0]=4 543 B8R1.3 Oc1ccc(I)cn1 Amb6565029 [0,0,0,1,0,0|3,0,0]=4 544 B8R1.3 Oc1ccc(I)nc1 Amb8383456 [0,0,0,1,0,0|3,0,0]=4 545 B8R1.3 Oc1ccc(O)cc1 Amb34915911 [0,0,0,1,0,0|2,0,0]=3 546 B8R1.3 Oc1ccc(O)cc1 Amb3940928 [0,0,0,1,0,0|2,0,0]=3 547 B8R1.3 Oc1ccc(O)nc1 Amb8438918 [0,0,0,1,0,0|2,0,0]=3 548 B8R1.3 Oc1ccc(O)nn1 Amb1971461 [0,0,0,1,0,0|2,0,0]=3 549 B8R1.3 Oc1ccc(P)cc1 Amb27974686 [0,0,0,1,0,0|3,0,0]=4 550 B8R1.3 Oc1ccc(S)cc1 Amb6306674 [0,0,0,1,0,0|2,1,0]=4 551 B8R1.3 Oc1ccc(S)cn1 Amb3632336 [0,0,0,1,0,0|2,1,0]=4 552 B8R1.3 Oc1ccc(S)nc1 Amb26326885 [0,0,0,1,0,0|2,1,0]=4 553 B8R1.3 Oc1ccc(S)nn1 Amb18642599 [0,0,0,1,0,0|2,1,0]=4 554 B8R1.3 Oc1cnc(O)cn1 Amb10599610 [0,0,0,1,0,0|3,0,0]=4 555 B8R1.20 CC1C\C1=C/C(=O)O Amb25256441 [0,0,0,1,0,0|2,0,1]=4 556 B8R1.23 O=C1CC(C(=O)O)C1 Amb33544325 [0,0,0,1,0,0|1,0,2]=4 557 B8R1.23 O=C1CC(C(=O)O)N1 Amb16232079 [0,0,0,1,0,0|1,0,2]=4 558 B8R1.23 O=C1CC(C(=O)O)O1 Amb26887454 [0,0,0,1,0,0|0,0,2]=3 559 B8R1.23 O=C1C[C@@H](C(=O)O)N1 Amb22367070 [0,0,0,1,0,0|1,0,2]=4 560 B8R1.23 O=C1C[C@H](C(=O)O)N1 Amb26975061 [0,0,0,1,0,0|1,0,2]=4 561 B8R1.35 O=C(O)\C=C/C1CC1 Amb28247513 [0,0,0,1,0,0|2,0,1]=4 562 B8R1.35 O=C(O)\C=C\C1CC1 Amb18285135 [0,0,0,1,0,0|2,0,1]=4 563 B8R1.35 O=C(O)\C=C\C1CC1 Amb33714766 [0,0,0,1,0,0|2,0,1]=4 564 B8R1.35 O=C(O)\C=C\C1CO1 Amb24548089 [0,0,0,1,0,0|1,0,1]=3 565 B8R1.51 CC1(O)C=CC(=O)C1 Amb28316243 [0,0,0,1,0,0|2,0,1]=4 566 B8R1.51 CC1(O)C=CC(=O)O1 Amb26551626 [0,0,0,1,0,0|1,0,1]=3 567 B8R1.51 O=C1C=CC(Cl)(Cl)O1 Amb25758877 [0,0,0,1,0,0|2,0,1]=4 568 B8R1.51 O=C1C=CS(=O)(=O)C1 Amb25986455 [0,0,0,1,0,0|2,0,1]=4 569 B8R1.51 O=S1(=O)C=CC(O)=N1 Amb27184935 [0,0,0,1,0,0|2,0,1]=4 570 B6R0.2 C=C(C)CC(=O)O Amb6278832 [0,0,0,0,1,0|2,0,1]=4 571 B6R0.2 C=C(Cl)CC(=O)O Amb28118668 [0,0,0,0,1,0|2,0,1]=4 572 B6R0.2 C=C(I)CC(=O)O Amb27598435 [0,0,0,0,1,0|2,0,1]=4 573 B6R0.2 CC(=O)C=C(C)C Amb2793052 [0,0,0,0,1,0|3,0,0]=4 574 B6R0.2 CC(=O)C=C(N)N Amb27788295 [0,0,0,0,1,0|3,0,0]=4 575 B6R0.2 CC(=O)CC(=O)F Amb28122452 [0,0,0,0,1,0|2,0,1]=4 576 B6R0.2 CC(=O)CC(=O)O Amb377432 [0,0,0,0,1,0|1,0,1]=3 577 B6R0.2 CC(=O)CC(=O)[O-] Amb31031013 [0,0,0,0,1,0|1,0,2]=4 578 B6R0.2 CC(=O)CC(C)=O Amb2716228 [0,0,0,0,1,0|2,0,1]=4 579 B6R0.2 CC(=O)CC(N)=O Amb6608777 [0,0,0,0,1,0|2,0,1]=4 580 B6R0.2 CC(=O)C[PH](=O)O Amb27975190 [0,0,0,0,1,0|2,0,1]=4 581 B6R0.2 CC(=O)NC(C)=O Amb4066511 [0,0,0,0,1,0|3,0,0]=4 582 B6R0.2 CC(=O)NC(N)=O Amb6891959 [0,0,0,0,1,0|3,0,0]=4 583 B6R0.2 CC(=O)OC(C)=O Amb2793035 [0,0,0,0,1,0|3,0,0]=4 584 B6R0.2 CC(=O)OC(N)=O Amb28283882 [0,0,0,0,1,0|3,0,0]=4 585 B6R0.2 CC(=O)SC(=O)Cl Amb32679653 [0,0,0,0,1,0|3,0,0]=4 586 B6R0.2 CC(=O)SC(C)=O Amb4025813 [0,0,0,0,1,0|3,0,0]=4 587 B6R0.2 CC(=O)[CH-]C(C)=O Amb34196937 [0,0,0,0,1,0|2,0,1]=4 588 B6R0.2 CC(=O)[CH-]C(C)=O Amb9787378 [0,0,0,0,1,0|2,0,1]=4 589 B6R0.2 CC(=O)\C=C(/C)N Amb1149988 [0,0,0,0,1,0|3,0,0]=4 590 B6R0.2 CC(=O)\C=C(/C)S Amb27658727 [0,0,0,0,1,0|2,1,0]=4 591 B6R0.2 CC(=O)\C=C(\C)Br Amb27838200 [0,0,0,0,1,0|3,0,0]=4 592 B6R0.2 CC(=O)\C=C(\C)Cl Amb27196730 [0,0,0,0,1,0|3,0,0]=4 593 B6R0.2 CC(=O)\C=C(\C)N Amb2720902 [0,0,0,0,1,0|3,0,0]=4 594 B6R0.2 CC(=O)\C=C(\C)O Amb34915197 [0,0,0,0,1,0|2,0,0]=3 595 B6R0.2 CC(=O)\C=C(\C)S Amb26910658 [0,0,0,0,1,0|2,1,0]=4 596 B6R0.2 CC(=O)\C=C(\C)[O-] Amb19959976 [0,0,0,0,1,0|2,0,1]=4 597 B6R0.2 CC(=O)\C=C(\C)[O-] Amb20239443 [0,0,0,0,1,0|2,0,1]=4 598 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22045408 [0,0,0,0,1,0|2,0,1]=4 599 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053071 [0,0,0,0,1,0|2,0,1]=4 600 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053499 [0,0,0,0,1,0|2,0,1]=4 601 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053500 [0,0,0,0,1,0|2,0,1]=4 602 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053502 [0,0,0,0,1,0|2,0,1]=4 603 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053503 [0,0,0,0,1,0|2,0,1]=4 604 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053694 [0,0,0,0,1,0|2,0,1]=4 605 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053940 [0,0,0,0,1,0|2,0,1]=4 606 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22054020 [0,0,0,0,1,0|2,0,1]=4 607 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22466635 [0,0,0,0,1,0|2,0,1]=4 608 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22729908 [0,0,0,0,1,0|2,0,1]=4 609 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22730050 [0,0,0,0,1,0|2,0,1]=4 610 B6R0.2 CC(=O)\C=C(\C)[O-] Amb34915499 [0,0,0,0,1,0|2,0,1]=4 611 B6R0.2 CC(=S)CC(=O)O Amb28067768 [0,0,0,0,1,0|1,1,1]=4 612 B6R0.2 CC(C)=CC(=O)Cl Amb2782315 [0,0,0,0,1,0|3,0,0]=4 613 B6R0.2 CC(C)=CC(=O)O Amb1485519 [0,0,0,0,1,0|2,0,0]=3 614 B6R0.2 CC(C)=CC(N)=O Amb10561758 [0,0,0,0,1,0|3,0,0]=4 615 B6R0.2 CC(O)CC(=O)O Amb8513187 [0,0,0,0,1,0|1,0,2]=4 616 B6R0.2 CN(O)CC(=O)O Amb29838290 [0,0,0,0,1,0|2,0,1]=4 617 B6R0.2 C[C@@H](O)CC(=O)O Amb4166322 [0,0,0,0,1,0|1,0,2]=4 618 B6R0.2 C[C@H](O)CC(=O)O Amb22232025 [0,0,0,0,1,0|1,0,2]=4 619 B6R0.2 C\C(Cl)=C/C(=O)O Amb18123483 [0,0,0,0,1,0|2,0,0]=3 620 B6R0.2 C\C(Cl)=C\C(=O)O Amb28050474 [0,0,0,0,1,0|2,0,0]=3 621 B6R0.2 C\C(F)=C/C(=O)O Amb27185433 [0,0,0,0,1,0|2,0,0]=3 622 B6R0.2 C\C(I)=C/C(=O)O Amb33329900 [0,0,0,0,1,0|2,0,0]=3 623 B6R0.2 C\C(I)=C\C(=O)O Amb24741877 [0,0,0,0,1,0|2,0,0]=3 624 B6R0.2 C\C(I)=C\C(N)=O Amb28058366 [0,0,0,0,1,0|3,0,0]=4 625 B6R0.2 C\C(N)=C/C(=O)O Amb27421114 [0,0,0,0,1,0|2,0,0]=3 626 B6R0.2 C\C(N)=C/C(N)=O Amb26600164 [0,0,0,0,1,0|3,0,0]=4 627 B6R0.2 C\C(S)=C\C(N)=O Amb27596108 [0,0,0,0,1,0|2,1,0]=4 628 B6R0.2 NC(=O)CC(=O)O Amb4034884 [0,0,0,0,1,0|1,0,1]=3 629 B6R0.2 NC(=O)CC(=O)[O-] Amb22263088 [0,0,0,0,1,0|1,0,2]=4 630 B6R0.2 NC(=O)CC(N)=O Amb1971463 [0,0,0,0,1,0|2,0,1]=4 631 B6R0.2 NC(=O)NC(N)=O Amb6346179 [0,0,0,0,1,0|3,0,0]=4 632 B6R0.2 NC(=S)CC(=O)O Amb17465742 [0,0,0,0,1,0|1,1,1]=4 633 B6R0.2 NC(N)=CC(=O)O Amb27618962 [0,0,0,0,1,0|2,0,0]=3 634 B6R0.2 O=C(Cl)CC(=O)Cl Amb3940237 [0,0,0,0,1,0|2,0,1]=4 635 B6R0.2 O=C(O)C=C(Br)Br Amb24435008 [0,0,0,0,1,0|2,0,0]=3 636 B6R0.2 O=C(O)C=C(Cl)Cl Amb33544334 [0,0,0,0,1,0|2,0,0]=3 637 B6R0.2 O=C(O)C=C(F)F Amb24116995 [0,0,0,0,1,0|2,0,0]=3 638 B6R0.2 O=C(O)CB(O)O Amb24053058 [0,0,0,0,1,0|1,0,2]=4 639 B6R0.2 O=C(O)CC(=O)Cl Amb26946943 [0,0,0,0,1,0|1,0,1]=3 640 B6R0.2 O=C(O)CC(=O)O Amb2689065 [0,0,0,0,1,0|0,0,1]=2 641 B6R0.2 O=C(O)CS(=O)O Amb27788997 [0,0,0,0,1,0|1,0,1]=3 642 B6R0.2 O=C(O)\C=C(\Cl)Br Amb27955839 [0,0,0,0,1,0|2,0,0]=3 643 B6R0.2 O=C([O-])CC(=O)[O-] Amb8516686 [0,0,0,0,1,0|0,0,3]=4 644 B6R0.2 O=C([O-])CC(=O)[O-] Amb8516816 [0,0,0,0,1,0|0,0,3]=4 645 B8R0.28 C=C(C)C\C=C\C(=O)O Amb27602149 [0,0,0,0,0,1|2,0,0]=3 646 B8R0.28 C=C(C)\C=C\CC(=O)O Amb18642409 [0,0,0,0,0,1|2,0,0]=3 647 B8R0.28 C=C(C)\C=C\CC(C)=O Amb24744667 [0,0,0,0,0,1|3,0,0]=4 648 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,0,0,0,0,1|1,0,2]=4 649 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [0,0,0,0,0,1|1,0,2]=4 650 B8R0.28 CC(=O)C\C=C\C(C)O Amb26528351 [0,0,0,0,0,1|2,0,1]=4 651 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [0,0,0,0,0,1|1,0,2]=4 652 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [0,0,0,0,0,1|2,0,1]=4 653 B8R0.28 CC(=O)N\C=C/C(C)=S Amb27472902 [0,0,0,0,0,1|2,1,0]=4 654 B8R0.28 CC(=O)N\C=C\C(C)=S Amb27229569 [0,0,0,0,0,1|2,1,0]=4 655 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [0,0,0,0,0,1|1,0,2]=4 656 B8R0.28 CC(=O)O\N=C/C(=O)O Amb27593741 [0,0,0,0,0,1|2,0,0]=3 657 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [0,0,0,0,0,1|1,0,2]=4 658 B8R0.28 CC(=O)S\C=C\C(=O)O Amb26969288 [0,0,0,0,0,1|1,0,0]=2 659 B8R0.28 CC(=O)\C=C/C=C(C)C Amb28198620 [0,0,0,0,0,1|3,0,0]=4 660 B8R0.28 CC(=O)\C=C/C[N+](=O)[O-] Amb28322797 [0,0,0,0,0,1|2,0,1]=4 661 B8R0.28 CC(=O)\C=C/OC(C)=O Amb28364680 [0,0,0,0,0,1|2,0,0]=3 662 B8R0.28 CC(=O)\C=C\C=C(C)C Amb26890921 [0,0,0,0,0,1|3,0,0]=4 663 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [0,0,0,0,0,1|1,0,0]=2 664 B8R0.28 CC(=O)\C=C\C[N+](=O)[O-] Amb27444805 [0,0,0,0,0,1|2,0,1]=4 665 B8R0.28 CC(=O)\C=N\OC(C)=O Amb27788385 [0,0,0,0,0,1|3,0,0]=4 666 B8R0.28 CC(=O)\N=C\NC(C)=O Amb24541273 [0,0,0,0,0,1|3,0,0]=4 667 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [0,0,0,0,0,1|2,0,1]=4 668 B8R0.28 CC(C)=C\C=C\C(=O)O Amb18642414 [0,0,0,0,0,1|2,0,0]=3 669 B8R0.28 CC(C)C\C=C\C(=O)O Amb8392407 [0,0,0,0,0,1|2,0,1]=4 670 B8R0.28 CC(C)S\C=C\C(=O)O Amb27838559 [0,0,0,0,0,1|2,0,1]=4 671 B8R0.28 CC(C)\C=C\CC(=O)O Amb17844074 [0,0,0,0,0,1|2,0,1]=4 672 B8R0.28 CC(N)C\C=C\C(=O)O Amb27863954 [0,0,0,0,0,1|2,0,1]=4 673 B8R0.28 CN(C)C\C=C/C(=O)O Amb26347338 [0,0,0,0,0,1|3,0,0]=4 674 B8R0.28 CN(C)C\C=C\C(=O)O Amb15695416 [0,0,0,0,0,1|3,0,0]=4 675 B8R0.28 CN(C)C\C=C\C(=O)O Amb33716600 [0,0,0,0,0,1|3,0,0]=4 676 B8R0.28 CN(C)C\C=C\C(=O)O Amb8395946 [0,0,0,0,0,1|3,0,0]=4 677 B8R0.28 C[C@H](N)C\C=C\C(=O)O Amb27784845 [0,0,0,0,0,1|2,0,1]=4 678 B8R0.28 C[C@H](N)\C=C\CC(=O)O Amb28044026 [0,0,0,0,0,1|2,0,1]=4 679 B8R0.28 C[C@H](O)C\C=C\C(=O)O Amb27812394 [0,0,0,0,0,1|1,0,1]=3 680 B8R0.28 C\C(O)=C/C=C/C(C)O Amb27776889 [0,0,0,0,0,1|2,0,1]=4 681 B8R0.28 C\C(O)=C\C=C/C(C)O Amb28076045 [0,0,0,0,0,1|2,0,1]=4 682 B8R0.28 C\C(O)=C\C=C\C(C)O Amb27848184 [0,0,0,0,0,1|2,0,1]=4 683 B8R0.28 N=C(N)N\N=C\C(=O)O Amb33755273 [0,0,0,0,0,1|3,0,0]=4 684 B8R0.28 N=C(N)S\C=C/C(=O)O Amb28314144 [0,0,0,0,0,1|2,0,0]=3 685 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [0,0,0,0,0,1|1,0,2]=4 686 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [0,0,0,0,0,1|1,0,2]=4 687 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [0,0,0,0,0,1|1,0,2]=4 688 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [0,0,0,0,0,1|1,0,2]=4 689 B8R0.28 NC(=O)NOCC(=O)O Amb28285979 [0,0,0,0,0,1|2,0,1]=4 690 B8R0.28 NC(=O)N\C=C/C(=O)O Amb28437236 [0,0,0,0,0,1|1,0,0]=2 691 B8R0.28 NC(=O)N\C=C\C(=O)O Amb541061 [0,0,0,0,0,1|1,0,0]=2 692 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [0,0,0,0,0,1|2,0,0]=3 693 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [0,0,0,0,0,1|1,0,2]=4 694 B8R0.28 NC(=S)S\C=C/C(=O)O Amb28325316 [0,0,0,0,0,1|1,1,0]=3 695 B8R0.28 NC(=S)S\C=C\C(=O)O Amb10552410 [0,0,0,0,0,1|1,1,0]=3 696 B8R0.28 N\C(S)=N\N=C\C(=O)O Amb27467785 [0,0,0,0,0,1|2,1,0]=4 697 B8R0.28 O=C(O)C=C=CC(=O)O Amb17593335 [0,0,0,0,0,1|0,0,0]=1 698 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [0,0,0,0,0,1|0,0,2]=3 699 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [0,0,0,0,0,1|0,0,2]=3 700 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [0,0,0,0,0,1|0,0,2]=3 701 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [0,0,0,0,0,1|0,0,2]=3 702 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [0,0,0,0,0,1|0,0,0]=1 703 B8R0.28 O=C(O)\C=C\C=C(Cl)Cl Amb27478030 [0,0,0,0,0,1|2,0,0]=3 704 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [0,0,0,0,0,1|0,0,0]=1 705 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [0,0,0,0,0,1|0,0,3]=4 706 B5R0.1 C=C=CC(N)=O Amb28049015 [2,0,0,0,0,0|1,0,1]=4 707 B5R0.1 C=CC=C(C)C Amb22229813 [2,0,0,0,0,0|2,0,0]=4 708 B5R0.1 C=CCC(=O)Cl Amb33543701 [2,0,0,0,0,0|1,0,1]=4 709 B5R0.1 C=CCC(=O)O Amb3940098 [2,0,0,0,0,0|0,0,1]=3 710 B5R0.1 C=CCC(C)=O Amb8396482 [2,0,0,0,0,0|1,0,1]=4 711 B5R0.1 C=CCC(N)=O Amb17610156 [2,0,0,0,0,0|1,0,1]=4 712 B5R0.1 C=CCS(=O)O Amb33534190 [2,0,0,0,0,0|1,0,1]=4 713 B5R0.1 C=CC[PH](=O)O Amb8391287 [2,0,0,0,0,0|1,0,1]=4 714 B5R0.1 C=CNC(C)=O Amb24323579 [2,0,0,0,0,0|2,0,0]=4 715 B5R0.1 C=CNC(N)=O Amb25082241 [2,0,0,0,0,0|2,0,0]=4 716 B5R0.1 C=COC(=O)Cl Amb8514993 [2,0,0,0,0,0|2,0,0]=4 717 B5R0.1 C=COC(C)=O Amb8513382 [2,0,0,0,0,0|2,0,0]=4 718 B5R0.1 CC(=O)C=C=O Amb10603952 [2,0,0,0,0,0|1,0,1]=4 719 B5R0.1 CC(=O)NC=O Amb27850191 [2,0,0,0,0,0|2,0,0]=4 720 B5R0.1 CC(=O)OC=O Amb25283525 [2,0,0,0,0,0|2,0,0]=4 721 B5R0.1 CC(=O)\C=C/N Amb25147403 [2,0,0,0,0,0|2,0,0]=4 722 B5R0.1 CC(=O)\C=C/[O-] Amb30876865 [2,0,0,0,0,0|1,0,1]=4 723 B5R0.1 CC(=O)\C=C\Cl Amb17593099 [2,0,0,0,0,0|2,0,0]=4 724 B5R0.1 CC(=O)\C=C\N Amb8395283 [2,0,0,0,0,0|2,0,0]=4 725 B5R0.1 CC(=O)\C=C\[O-] Amb32644521 [2,0,0,0,0,0|1,0,1]=4 726 B5R0.1 CC(=O)\C=N/O Amb26474151 [2,0,0,0,0,0|2,0,0]=4 727 B5R0.1 CC(=O)\C=N\O Amb33719017 [2,0,0,0,0,0|2,0,0]=4 728 B5R0.1 CC(=O)\C=N\O Amb8395285 [2,0,0,0,0,0|2,0,0]=4 729 B5R0.1 CC(C)=CC=O Amb8385061 [2,0,0,0,0,0|2,0,0]=4 730 B5R0.1 C\C(Br)=C/C=O Amb27202112 [2,0,0,0,0,0|2,0,0]=4 731 B5R0.1 C\C(Br)=C\C=O Amb27201671 [2,0,0,0,0,0|2,0,0]=4 732 B5R0.1 C\C(N)=C/C=O Amb2612039 [2,0,0,0,0,0|2,0,0]=4 733 B5R0.1 C\C=C/C(=O)O Amb27779315 [2,0,0,0,0,0|0,0,1]=3 734 B5R0.1 C\C=C/C(C)=O Amb28351405 [2,0,0,0,0,0|1,0,1]=4 735 B5R0.1 C\C=C\C(=O)Br Amb25026006 [2,0,0,0,0,0|1,0,1]=4 736 B5R0.1 C\C=C\C(=O)Cl Amb8517577 [2,0,0,0,0,0|1,0,1]=4 737 B5R0.1 C\C=C\C(=O)O Amb8385856 [2,0,0,0,0,0|0,0,1]=3 738 B5R0.1 C\C=C\C(C)=O Amb33941980 [2,0,0,0,0,0|1,0,1]=4 739 B5R0.1 C\C=C\C(N)=O Amb4025906 [2,0,0,0,0,0|1,0,1]=4 740 B5R0.1 NC(=O)CC=O Amb25777522 [2,0,0,0,0,0|1,0,1]=4 741 B5R0.1 NC(=O)NC=O Amb8514974 [2,0,0,0,0,0|2,0,0]=4 742 B5R0.1 NC(=O)\C=C\I Amb27791850 [2,0,0,0,0,0|2,0,0]=4 743 B5R0.1 N\C=C\C(=O)O Amb27217920 [2,0,0,0,0,0|1,0,0]=3 744 B5R0.1 N\C=C\C(N)=O Amb27237320 [2,0,0,0,0,0|2,0,0]=4 745 B5R0.1 O=C(Cl)\C=C/Cl Amb27463694 [2,0,0,0,0,0|2,0,0]=4 746 B5R0.1 O=C(O)CCO Amb2688785 [2,0,0,0,0,0|0,0,2]=4 747 B5R0.1 O=C(O)CNO Amb24120360 [2,0,0,0,0,0|1,0,1]=4 748 B5R0.1 O=C(O)\C=C/Br Amb18644453 [2,0,0,0,0,0|1,0,0]=3 749 B5R0.1 O=C(O)\C=C/Cl Amb8513768 [2,0,0,0,0,0|1,0,0]=3 750 B5R0.1 O=C(O)\C=C/I Amb28315824 [2,0,0,0,0,0|1,0,0]=3 751 B5R0.1 O=C(O)\C=C\Br Amb27423608 [2,0,0,0,0,0|1,0,0]=3 752 B5R0.1 O=C(O)\C=C\Cl Amb33986098 [2,0,0,0,0,0|1,0,0]=3 753 B5R0.1 O=C(O)\C=C\I Amb30584673 [2,0,0,0,0,0|1,0,0]=3 754 B5R0.1 O=C(O)\C=C\O Amb26055842 [2,0,0,0,0,0|0,0,0]=2 755 B5R0.1 O=C(O)\C=C\S Amb28401590 [2,0,0,0,0,0|0,1,0]=3 756 B5R0.1 O=C(O)\C=N\O Amb20671938 [2,0,0,0,0,0|1,0,0]=3 757 B5R0.1 O=CC=C(Cl)Cl Amb24691205 [2,0,0,0,0,0|2,0,0]=4 758 B5R0.1 O=CCC(=O)O Amb22169407 [2,0,0,0,0,0|0,0,1]=3 759 B5R0.1 O=CCC(=O)[Na] Amb27949540 [2,0,0,0,0,0|1,0,1]=4 760 B5R0.2 C#C\C=C\C=O Amb17593013 [2,0,0,0,0,0|1,0,1]=4 761 B5R0.2 C=C\C=C\C=C Amb17939040 [2,0,0,0,0,0|2,0,0]=4 762 B5R0.2 C=C\C=C\C=O Amb26369847 [2,0,0,0,0,0|1,0,0]=3 763 B5R0.2 CC\C=C\C=O Amb33986391 [2,0,0,0,0,0|1,0,1]=4 764 B5R0.2 CN\C=C\C=O Amb24564349 [2,0,0,0,0,0|2,0,0]=4 765 B5R0.2 CO\C=C/C=O Amb28049941 [2,0,0,0,0,0|2,0,0]=4 766 B5R0.2 CO\C=C\C=O Amb26873964 [2,0,0,0,0,0|2,0,0]=4 767 B5R0.2 C\C=C/C=C/C Amb26318493 [2,0,0,0,0,0|2,0,0]=4 768 B5R0.2 C\C=C\C=C\Br Amb27791828 [2,0,0,0,0,0|2,0,0]=4 769 B5R0.2 C\C=C\C=C\C Amb27622458 [2,0,0,0,0,0|2,0,0]=4 770 B5R0.2 C\C=C\CC=O Amb26655030 [2,0,0,0,0,0|1,0,1]=4 771 B5R0.2 O=CCCC=O Amb8395090 [2,0,0,0,0,0|0,0,2]=4 772 B5R0.2 O=CCNC=O Amb26370295 [2,0,0,0,0,0|1,0,1]=4 773 B5R0.2 O=CC\C=C\Cl Amb24571938 [2,0,0,0,0,0|1,0,1]=4 774 B5R0.2 O=CNNC=O Amb6298322 [2,0,0,0,0,0|2,0,0]=4 775 B5R0.2 O=C\C=C/C=O Amb28146767 [2,0,0,0,0,0|0,0,0]=2 776 B5R0.2 O=C\C=C\C=O Amb17593019 [2,0,0,0,0,0|0,0,0]=2 777 B5R0.2 O=C\C=C\CCl Amb18122401 [2,0,0,0,0,0|1,0,1]=4 778 B5R0.2 O=C\C=C\CF Amb33475269 [2,0,0,0,0,0|1,0,1]=4 779 B5R0.2 O=C\C=C\CO Amb24356008 [2,0,0,0,0,0|0,0,1]=3 780 B5R0.2 OC\C=C/CO Amb8383639 [2,0,0,0,0,0|0,0,2]=4 781 B5R0.2 OC\C=C\CO Amb22733427 [2,0,0,0,0,0|0,0,2]=4 782 B5R0.2 OC\C=C\CO Amb6609016 [2,0,0,0,0,0|0,0,2]=4 783 B5R0.2 O\C=C\C=N\O Amb27831482 [2,0,0,0,0,0|1,0,0]=3 784 B5R0.2 O\N=C\C=N\O Amb9786167 [2,0,0,0,0,0|2,0,0]=4 785 B7R0.2 C#C\C(C)=C\C(=O)O Amb27950241 [1,1,0,0,0,0|1,0,1]=4 786 B7R0.2 C=C(C)\C=C(/C)C=O Amb27464033 [1,1,0,0,0,0|2,0,0]=4 787 B7R0.2 C=C\C(Br)=C/C(C)=O Amb24505183 [1,1,0,0,0,0|2,0,0]=4 788 B7R0.2 C=C\C(C)=C/C(=O)O Amb18641686 [1,1,0,0,0,0|1,0,0]=3 789 B7R0.2 C=C\C(C)=C/C(C)=O Amb27210017 [1,1,0,0,0,0|2,0,0]=4 790 B7R0.2 C=C\C(C)=C/C(N)=O Amb27195399 [1,1,0,0,0,0|2,0,0]=4 791 B7R0.2 C=C\C(C)=C\C(C)=O Amb25234874 [1,1,0,0,0,0|2,0,0]=4 792 B7R0.2 C=C\C(O)=C/C(C)=O Amb24553056 [1,1,0,0,0,0|2,0,0]=4 793 B7R0.2 CC(=O)\C=C(/C)C=O Amb27607120 [1,1,0,0,0,0|1,0,0]=3 794 B7R0.2 CC(=O)\C=C(/C)CO Amb25240045 [1,1,0,0,0,0|1,0,1]=4 795 B7R0.2 CC(=O)\C=C(/N)CO Amb27839108 [1,1,0,0,0,0|1,0,1]=4 796 B7R0.2 CC(=O)\C=C(\C)C=O Amb18641689 [1,1,0,0,0,0|1,0,0]=3 797 B7R0.2 CC(=O)\C=C(\C)CO Amb24518297 [1,1,0,0,0,0|1,0,1]=4 798 B7R0.2 CC\C(Br)=C\C(=O)O Amb27409320 [1,1,0,0,0,0|1,0,1]=4 799 B7R0.2 CC\C(C)=C/C(=O)O Amb18281014 [1,1,0,0,0,0|1,0,1]=4 800 B7R0.2 CC\C(C)=C\C(=O)O Amb33528462 [1,1,0,0,0,0|1,0,1]=4 801 B7R0.2 CC\C(F)=C/C(=O)O Amb27780201 [1,1,0,0,0,0|1,0,1]=4 802 B7R0.2 CC\C(N)=C\C(=O)O Amb28145108 [1,1,0,0,0,0|1,0,1]=4 803 B7R0.2 CC\C(O)=C\C(=O)O Amb27837122 [1,1,0,0,0,0|1,0,1]=4 804 B7R0.2 CO\C(C)=C/C(=O)O Amb2611888 [1,1,0,0,0,0|2,0,0]=4 805 B7R0.2 CO\C(C)=C\C(=O)O Amb27631657 [1,1,0,0,0,0|2,0,0]=4 806 B7R0.2 C\C(=C/C(=O)O)CO Amb18641871 [1,1,0,0,0,0|0,0,1]=3 807 B7R0.2 C\C(C#N)=C/C(=O)O Amb27830669 [1,1,0,0,0,0|1,0,1]=4 808 B7R0.2 C\C(C=O)=C\C(C)O Amb27802195 [1,1,0,0,0,0|1,0,1]=4 809 B7R0.2 C\C(CC(=O)O)=N/O Amb28388976 [1,1,0,0,0,0|1,0,1]=4 810 B7R0.2 C\C(O)=C\C(C)=N/O Amb27227992 [1,1,0,0,0,0|2,0,0]=4 811 B7R0.2 C\C=C(\Cl)CC(=O)O Amb25174797 [1,1,0,0,0,0|1,0,1]=4 812 B7R0.2 NC(=O)NC(=O)C=O Amb27964563 [1,1,0,0,0,0|2,0,0]=4 813 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [1,1,0,0,0,0|0,0,2]=4 814 B7R0.2 NC\C(I)=C\C(=O)O Amb28386476 [1,1,0,0,0,0|1,0,1]=4 815 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [1,1,0,0,0,0|0,0,2]=4 816 B7R0.2 N\C(CC(=O)O)=N/O Amb8384544 [1,1,0,0,0,0|1,0,1]=4 817 B7R0.2 O=C(O)C\C(Cl)=C\Cl Amb27812877 [1,1,0,0,0,0|1,0,1]=4 818 B7R0.2 O=C(O)\C=C(/Br)CO Amb27424808 [1,1,0,0,0,0|0,0,1]=3 819 B7R0.2 O=C(O)\C=C(\O)CBr Amb28458506 [1,1,0,0,0,0|1,0,1]=4 820 B7R0.2 O=CN(O)CC(=O)O Amb25367291 [1,1,0,0,0,0|1,0,1]=4 821 B7R0.2 O=C\C(Cl)=C/C(=O)O Amb27852924 [1,1,0,0,0,0|0,0,0]=2 822 B7R0.3 C=C\C=C\C(=O)C=C Amb27210567 [1,1,0,0,0,0|2,0,0]=4 823 B7R0.3 C=C\C=C\C(=O)OC Amb22350484 [1,1,0,0,0,0|1,0,0]=3 824 B7R0.3 CC=C=CC(=O)OC Amb26575881 [1,1,0,0,0,0|1,0,1]=4 825 B7R0.3 CCC(=O)\C=C\C=O Amb18641682 [1,1,0,0,0,0|1,0,0]=3 826 B7R0.3 CCC(O)\C=C\C=O Amb16233610 [1,1,0,0,0,0|1,0,1]=4 827 B7R0.3 CC[C@H](O)\C=C\C=O Amb28070938 [1,1,0,0,0,0|1,0,1]=4 828 B7R0.3 CC\C=C\C(=O)OC Amb2689583 [1,1,0,0,0,0|1,0,1]=4 829 B7R0.3 COC(=O)C#CC=O Amb27441102 [1,1,0,0,0,0|0,0,2]=4 830 B7R0.3 COC(=O)CCC=O Amb18124259 [1,1,0,0,0,0|0,0,2]=4 831 B7R0.3 COC(=O)CNC=O Amb22000868 [1,1,0,0,0,0|1,0,1]=4 832 B7R0.3 COC(=O)C\C=C\Cl Amb28458363 [1,1,0,0,0,0|1,0,1]=4 833 B7R0.3 COC(=O)NCC=O Amb27839038 [1,1,0,0,0,0|1,0,1]=4 834 B7R0.3 COC(=O)OCC=O Amb28208420 [1,1,0,0,0,0|1,0,1]=4 835 B7R0.3 COC(=O)\C=C\C=O Amb18641759 [1,1,0,0,0,0|0,0,0]=2 836 B7R0.3 COC(=O)\C=C\CBr Amb8513243 [1,1,0,0,0,0|1,0,1]=4 837 B7R0.3 COC(=O)\C=C\CF Amb35747826 [1,1,0,0,0,0|1,0,1]=4 838 B7R0.3 COC(=O)\C=C\CN Amb24117125 [1,1,0,0,0,0|1,0,1]=4 839 B7R0.3 COC(=O)\C=C\CN Amb30634316 [1,1,0,0,0,0|1,0,1]=4 840 B7R0.3 COC(=O)\C=C\NO Amb28315962 [1,1,0,0,0,0|1,0,0]=3 841 B7R0.3 COC(=O)\C=C\SC Amb33473626 [1,1,0,0,0,0|2,0,0]=4 842 B7R0.3 COC(C)\C=C\C=O Amb27640624 [1,1,0,0,0,0|1,0,1]=4 843 B7R0.3 CO\C(C)=C\CC=O Amb28283269 [1,1,0,0,0,0|1,0,1]=4 844 B7R0.3 CO\C=C\C(=O)OC Amb6600489 [1,1,0,0,0,0|2,0,0]=4 845 B7R0.3 C\C(C=O)=C/C=N/O Amb28388650 [1,1,0,0,0,0|2,0,0]=4 846 B7R0.3 C\C(C=O)=C/CC=O Amb27236148 [1,1,0,0,0,0|1,0,1]=4 847 B7R0.3 C\C=C/C=C(/C)C=O Amb27392706 [1,1,0,0,0,0|2,0,0]=4 848 B7R0.3 C\C=C\C=C(/C)C=O Amb27204994 [1,1,0,0,0,0|2,0,0]=4 849 B7R0.3 C\C=C\CC(=O)OC Amb8394879 [1,1,0,0,0,0|1,0,1]=4 850 B7R0.3 C\C=C\NC(=O)OC Amb27838402 [1,1,0,0,0,0|2,0,0]=4 851 B7R0.3 O=CCCC(=O)CO Amb27799816 [1,1,0,0,0,0|0,0,2]=4 852 B7R0.3 O=CC\C=C(/Cl)C=O Amb27401185 [1,1,0,0,0,0|1,0,1]=4 853 B7R0.3 O=C\C(Br)=C\C=C\O Amb27204776 [1,1,0,0,0,0|1,0,0]=3 854 B7R0.3 O=C\C(Cl)=C\C=C\O Amb28131732 [1,1,0,0,0,0|1,0,0]=3 855 B7R0.3 O=C\C=C\C(=O)C=O Amb27440015 [1,1,0,0,0,0|0,0,1]=3 856 B7R0.3 O=C\C=C\C(=O)CO Amb24574003 [1,1,0,0,0,0|0,0,0]=2 857 B7R0.3 O=C\C=C\[C@H](O)CO Amb28208342 [1,1,0,0,0,0|0,0,2]=4 858 B7R0.4 C=C(C)C\C=C\C=O Amb18640955 [1,1,0,0,0,0|2,0,0]=4 859 B7R0.4 C=C\C=C\CC(=O)O Amb34916435 [1,1,0,0,0,0|1,0,0]=3 860 B7R0.4 CC(=O)C=C=CCO Amb28284681 [1,1,0,0,0,0|1,0,1]=4 861 B7R0.4 CC(=O)C\C=C\C=O Amb27165276 [1,1,0,0,0,0|1,0,0]=3 862 B7R0.4 CC(=O)\C=C/C=C\Br Amb27858614 [1,1,0,0,0,0|2,0,0]=4 863 B7R0.4 CC(=O)\C=C\C=C\Cl Amb27233379 [1,1,0,0,0,0|2,0,0]=4 864 B7R0.4 CC(=O)\C=C\CCO Amb26479998 [1,1,0,0,0,0|1,0,1]=4 865 B7R0.4 CC(C)=C\C=C/C=O Amb27169113 [1,1,0,0,0,0|2,0,0]=4 866 B7R0.4 CC(C)=C\C=C\CO Amb28400370 [1,1,0,0,0,0|2,0,0]=4 867 B7R0.4 CCC\C=C\C(=O)O Amb2688715 [1,1,0,0,0,0|1,0,1]=4 868 B7R0.4 CCO\C=C\C(=O)O Amb2725260 [1,1,0,0,0,0|1,0,1]=4 869 B7R0.4 CC\C=C/CC(=O)O Amb2720526 [1,1,0,0,0,0|1,0,1]=4 870 B7R0.4 CC\C=C\CC(=O)O Amb3940332 [1,1,0,0,0,0|1,0,1]=4 871 B7R0.4 CNC\C=C\C(=O)O Amb25368293 [1,1,0,0,0,0|1,0,1]=4 872 B7R0.4 COC\C=C\C(=O)O Amb33986212 [1,1,0,0,0,0|0,0,1]=3 873 B7R0.4 COC\C=C\C(C)=O Amb33359822 [1,1,0,0,0,0|1,0,1]=4 874 B7R0.4 CO\C=C/NC(C)=O Amb27391649 [1,1,0,0,0,0|2,0,0]=4 875 B7R0.4 CO\C=C\NC(C)=O Amb28198239 [1,1,0,0,0,0|2,0,0]=4 876 B7R0.4 CS\C=C\CC(=O)O Amb26656267 [1,1,0,0,0,0|0,1,1]=4 877 B7R0.4 C\C=C/C=C/C(C)=O Amb28129038 [1,1,0,0,0,0|2,0,0]=4 878 B7R0.4 C\C=C\C#CC(=O)O Amb17593127 [1,1,0,0,0,0|1,0,1]=4 879 B7R0.4 C\C=C\C=C\C(=O)Cl Amb32664141 [1,1,0,0,0,0|2,0,0]=4 880 B7R0.4 C\C=C\C=C\C(=O)O Amb17784698 [1,1,0,0,0,0|1,0,0]=3 881 B7R0.4 C\C=C\C=C\C(=O)[O-] Amb33512746 [1,1,0,0,0,0|1,0,1]=4 882 B7R0.4 C\C=C\C=C\C(=O)[O-] Amb33723188 [1,1,0,0,0,0|1,0,1]=4 883 B7R0.4 C\C=C\C=C\C(C)=O Amb17593137 [1,1,0,0,0,0|2,0,0]=4 884 B7R0.4 C\C=C\C=C\C(N)=O Amb28400805 [1,1,0,0,0,0|2,0,0]=4 885 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [1,1,0,0,0,0|1,0,1]=4 886 B7R0.4 N#CS\C=C/C(=O)O Amb28203932 [1,1,0,0,0,0|1,0,1]=4 887 B7R0.4 N#CS\C=C\C(=O)O Amb28435246 [1,1,0,0,0,0|1,0,1]=4 888 B7R0.4 NC(=O)NN\C=C\O Amb27265610 [1,1,0,0,0,0|2,0,0]=4 889 B7R0.4 NCC\C=C/C(=O)O Amb27201417 [1,1,0,0,0,0|1,0,1]=4 890 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [1,1,0,0,0,0|1,0,1]=4 891 B7R0.4 O=C(O)CC\C=N\O Amb27211579 [1,1,0,0,0,0|0,0,2]=4 892 B7R0.4 O=C(O)C\C=C/CS Amb18124361 [1,1,0,0,0,0|0,1,1]=4 893 B7R0.4 O=C(O)C\C=C\CO Amb28429811 [1,1,0,0,0,0|0,0,1]=3 894 B7R0.4 O=C(O)C\C=C\CS Amb24693621 [1,1,0,0,0,0|0,1,1]=4 895 B7R0.4 O=C(O)\C=C/C=N/O Amb27449866 [1,1,0,0,0,0|0,0,0]=2 896 B7R0.4 O=C(O)\C=C\C#CBr Amb27198995 [1,1,0,0,0,0|1,0,1]=4 897 B7R0.4 O=C(O)\C=C\C=C\Cl Amb28189602 [1,1,0,0,0,0|1,0,0]=3 898 B7R0.4 O=C(O)\C=C\CCBr Amb25702661 [1,1,0,0,0,0|1,0,1]=4 899 B7R0.4 O=C(O)\C=C\CCF Amb33196445 [1,1,0,0,0,0|1,0,1]=4 900 B7R0.4 O=CCCCC(=O)O Amb17593198 [1,1,0,0,0,0|0,0,2]=4 901 B7R0.4 O=CNCCC(=O)O Amb18290434 [1,1,0,0,0,0|0,0,2]=4 902 B7R0.4 O=CNOCC(=O)O Amb27477273 [1,1,0,0,0,0|1,0,1]=4 903 B7R0.4 O=C\C=C\CS(=O)F Amb27866107 [1,1,0,0,0,0|2,0,0]=4 904 B7R0.5 C=C(C)\C(C)=C\C=O Amb27852094 [1,1,0,0,0,0|2,0,0]=4 905 B7R0.5 C=C(CCO)C(=O)O Amb27173904 [1,1,0,0,0,0|0,0,2]=4 906 B7R0.5 C=C(\C=C\C)C(C)=O Amb25712751 [1,1,0,0,0,0|2,0,0]=4 907 B7R0.5 C=CCC(=C)C(=O)O Amb18641687 [1,1,0,0,0,0|1,0,1]=4 908 B7R0.5 C=CCC(=O)C(=O)O Amb25890017 [1,1,0,0,0,0|1,0,1]=4 909 B7R0.5 C=C\C=C(/Cl)C(=O)O Amb18642910 [1,1,0,0,0,0|1,0,0]=3 910 B7R0.5 C=C\C=C(\C)C(=O)O Amb27221069 [1,1,0,0,0,0|1,0,0]=3 911 B7R0.5 CC(=O)C(=O)CC=O Amb24524264 [1,1,0,0,0,0|1,0,1]=4 912 B7R0.5 CC(=O)\C(C)=C\C=O Amb28208341 [1,1,0,0,0,0|1,0,0]=3 913 B7R0.5 CC(=O)\C(C)=C\CO Amb27472570 [1,1,0,0,0,0|1,0,1]=4 914 B7R0.5 CC(=O)\C(C)=N\C=O Amb28316244 [1,1,0,0,0,0|2,0,0]=4 915 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [1,1,0,0,0,0|0,0,2]=4 916 B7R0.5 CC(NC=O)C(=O)O Amb1144629 [1,1,0,0,0,0|1,0,1]=4 917 B7R0.5 CC(OC=O)C(=O)O Amb27872094 [1,1,0,0,0,0|1,0,1]=4 918 B7R0.5 CC\C=C(/C)C(=O)O Amb2689584 [1,1,0,0,0,0|1,0,1]=4 919 B7R0.5 CC\C=C(/F)C(=O)O Amb27968785 [1,1,0,0,0,0|1,0,1]=4 920 B7R0.5 CC\C=C(\C)C(=O)O Amb27233430 [1,1,0,0,0,0|1,0,1]=4 921 B7R0.5 CO\C=C(/C)C(=O)O Amb18641867 [1,1,0,0,0,0|2,0,0]=4 922 B7R0.5 CO\C=C(/F)C(=O)O Amb28369284 [1,1,0,0,0,0|2,0,0]=4 923 B7R0.5 CO\C=C(\F)C(=O)O Amb22641708 [1,1,0,0,0,0|2,0,0]=4 924 B7R0.5 CO\C=C(\I)C(=O)O Amb27228187 [1,1,0,0,0,0|2,0,0]=4 925 B7R0.5 CO\C=C(\N)C(=O)O Amb27390812 [1,1,0,0,0,0|2,0,0]=4 926 B7R0.5 C[C@H](NC=O)C(=O)O Amb28323701 [1,1,0,0,0,0|1,0,1]=4 927 B7R0.5 C\C(=C/C=O)C(=O)O Amb27165186 [1,1,0,0,0,0|0,0,0]=2 928 B7R0.5 C\C(=C/C=O)C(N)=O Amb27838329 [1,1,0,0,0,0|1,0,0]=3 929 B7R0.5 C\C(=C/CCl)C(=O)O Amb25844891 [1,1,0,0,0,0|1,0,1]=4 930 B7R0.5 C\C(=C/CN)C(=O)O Amb25845292 [1,1,0,0,0,0|1,0,1]=4 931 B7R0.5 C\C(=C/CS)C(=O)O Amb28041309 [1,1,0,0,0,0|0,1,1]=4 932 B7R0.5 C\C=C\C(Br)C(=O)O Amb27451575 [1,1,0,0,0,0|1,0,1]=4 933 B7R0.5 C\C=C\C(O)C(=O)O Amb30585115 [1,1,0,0,0,0|1,0,1]=4 934 B7R0.5 C\C=C\[C@@H](N)C(=O)O Amb27948524 [1,1,0,0,0,0|1,0,1]=4 935 B7R0.5 C\C=C\[C@@H](O)C(=O)O Amb28368832 [1,1,0,0,0,0|1,0,1]=4 936 B7R0.5 C\C=C\[C@H](O)C(=O)O Amb27162651 [1,1,0,0,0,0|1,0,1]=4 937 B7R0.5 NC(\C=C\F)C(=O)O Amb27666430 [1,1,0,0,0,0|1,0,1]=4 938 B7R0.5 NC\C=C(/F)C(=O)O Amb33802627 [1,1,0,0,0,0|1,0,1]=4 939 B7R0.5 NC\C=C(\F)C(=O)O Amb28340962 [1,1,0,0,0,0|1,0,1]=4 940 B7R0.5 N[C@@H](\C=C/F)C(=O)O Amb27447269 [1,1,0,0,0,0|1,0,1]=4 941 B7R0.5 N[C@H](CC=O)C(=O)O Amb27839576 [1,1,0,0,0,0|0,0,2]=4 942 B7R0.5 O=C(O)C(=O)CCO Amb25677024 [1,1,0,0,0,0|0,0,2]=4 943 B7R0.5 O=C(O)\C(Br)=C\CO Amb28291530 [1,1,0,0,0,0|0,0,1]=3 944 B7R0.5 O=C(O)\C(Cl)=C\CBr Amb27875077 [1,1,0,0,0,0|1,0,1]=4 945 B7R0.5 O=CCC(=O)C(=O)O Amb26326260 [1,1,0,0,0,0|0,0,1]=3 946 B7R0.5 O=C\C=C(/Br)C(=O)O Amb28320595 [1,1,0,0,0,0|0,0,0]=2 947 B7R0.5 O=C\C=C(/Cl)C(=O)O Amb27784434 [1,1,0,0,0,0|0,0,0]=2 948 B7R0.9 CP(=O)(O)CC(=O)O Amb3371772 [0,1,0,0,1,0|1,0,1]=4 949 B7R0.9 O=C(O)CP(=O)(O)O Amb4489433 [0,1,0,0,1,0|1,0,1]=4 950 B7R0.9 O=C(O)CS(=O)(=O)O Amb16232248 [0,1,0,0,1,0|1,0,1]=4 951 B7R0.9 O=C(O)C[SH](=O)([O-])O Amb27231739 [0,1,0,0,1,0|1,0,1]=4 952 B7R0.16 C=C(C(=O)O)C(=O)Cl Amb28056536 [0,1,0,0,1,0|1,0,0]=3 953 B7R0.16 C=C(C(=O)O)[C@H](C)O Amb27410183 [0,1,0,0,1,0|1,0,1]=4 954 B7R0.16 C=C(C(C)=O)C(C)=O Amb27424014 [0,1,0,0,1,0|2,0,0]=4 955 B7R0.16 C=C(C(C)=O)C(N)=O Amb27814821 [0,1,0,0,1,0|2,0,0]=4 956 B7R0.16 C=C(C(N)=O)C(N)=O Amb27874113 [0,1,0,0,1,0|2,0,0]=4 957 B7R0.16 C=C(C)C(=C)C(=O)O Amb33199524 [0,1,0,0,1,0|2,0,0]=4 958 B7R0.16 CC(=O)C(=O)C(=O)O Amb24101563 [0,1,0,0,1,0|1,0,0]=3 959 B7R0.16 CC(=O)C(=O)C(C)=O Amb17593178 [0,1,0,0,1,0|2,0,0]=4 960 B7R0.16 CC(=O)C(=S)C(C)=O Amb24588939 [0,1,0,0,1,0|2,0,0]=4 961 B7R0.16 CC(=O)C(N)C(=O)O Amb21962887 [0,1,0,0,1,0|1,0,1]=4 962 B7R0.16 CC(=O)\C(F)=C(/C)O Amb28384212 [0,1,0,0,1,0|2,0,0]=4 963 B7R0.16 CC(=O)\C(N)=C(/C)O Amb26452525 [0,1,0,0,1,0|2,0,0]=4 964 B7R0.16 CC(C(=O)O)C(=O)O Amb6600127 [0,1,0,0,1,0|0,0,1]=3 965 B7R0.16 CC(C(N)=O)C(=O)O Amb27401562 [0,1,0,0,1,0|1,0,1]=4 966 B7R0.16 CC(C)=C(Br)C(=O)O Amb17594579 [0,1,0,0,1,0|2,0,0]=4 967 B7R0.16 CC(C)=C(C)C(=O)O Amb17593186 [0,1,0,0,1,0|2,0,0]=4 968 B7R0.16 CC(C)=C(Cl)C(=O)O Amb18642954 [0,1,0,0,1,0|2,0,0]=4 969 B7R0.16 CC(C)=C(F)C(=O)O Amb20669103 [0,1,0,0,1,0|2,0,0]=4 970 B7R0.16 CC(O)C(=O)C(=O)O Amb24481396 [0,1,0,0,1,0|1,0,1]=4 971 B7R0.16 C\C(Br)=C(/C)C(=O)O Amb2611697 [0,1,0,0,1,0|2,0,0]=4 972 B7R0.16 C\C(O)=C(/N)C(N)=O Amb28429800 [0,1,0,0,1,0|2,0,0]=4 973 B7R0.16 C\C(O)=C(\N)C(=O)O Amb27191761 [0,1,0,0,1,0|1,0,0]=3 974 B7R0.16 C\C(O)=C(\O)C(=O)O Amb28282804 [0,1,0,0,1,0|1,0,0]=3 975 B7R0.16 NC(=O)[C@H](N)C(=O)O Amb28397054 [0,1,0,0,1,0|1,0,1]=4 976 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,1,0,0,1,0|0,0,1]=3 977 B7R0.16 N[C@@H](C(=O)O)S(=O)O Amb28125643 [0,1,0,0,1,0|1,0,1]=4 978 B7R0.16 O=C(Cl)C(=O)C(=O)Cl Amb26634429 [0,1,0,0,1,0|2,0,0]=4 979 B7R0.16 O=C(O)C(=O)C(=O)O Amb18641943 [0,1,0,0,1,0|0,0,0]=2 980 B7R0.16 O=C(O)C(Br)=C(Cl)Cl Amb27827769 [0,1,0,0,1,0|2,0,0]=4 981 B7R0.16 O=C(O)C(Br)C(=O)O Amb17594708 [0,1,0,0,1,0|0,0,1]=3 982 B7R0.16 O=C(O)C(Cl)=C(Cl)Cl Amb2724138 [0,1,0,0,1,0|2,0,0]=4 983 B7R0.16 O=C(O)C(F)=C(Cl)Cl Amb25732891 [0,1,0,0,1,0|2,0,0]=4 984 B7R0.16 O=C(O)C(F)=C(F)F Amb27409880 [0,1,0,0,1,0|2,0,0]=4 985 B7R0.16 O=C(O)C(F)C(=O)O Amb24055884 [0,1,0,0,1,0|0,0,1]=3 986 B7R0.16 O=C(O)C(O)C(=O)O Amb1215315 [0,1,0,0,1,0|0,0,1]=3 987 B7R0.16 O=C(O)C(S)C(=O)O Amb28346986 [0,1,0,0,1,0|0,0,1]=3 988 B9R0.1 CC(=O)\C=C\C=C(/C)C=O Amb10068394 [0,1,0,0,0,1|2,0,0]=4 989 B9R0.1 CC(CO)N\C=C\C(=O)O Amb27776997 [0,1,0,0,0,1|1,0,1]=4 990 B9R0.1 CCN(O)C\C=C\C(=O)O Amb27784415 [0,1,0,0,0,1|2,0,0]=4 991 B9R0.1 CNC(=O)O\C=C\C(C)=O Amb25888972 [0,1,0,0,0,1|2,0,0]=4 992 B9R0.1 CNC(=S)S\C=C/C(=O)O Amb28396514 [0,1,0,0,0,1|1,1,0]=4 993 B9R0.1 COC(=O)CCCC(=O)O Amb2720900 [0,1,0,0,0,1|0,0,2]=4 994 B9R0.1 COC(=O)CNCC(=O)O Amb7766422 [0,1,0,0,0,1|0,0,2]=4 995 B9R0.1 COC(=O)COCC(=O)O Amb25305044 [0,1,0,0,0,1|0,0,2]=4 996 B9R0.1 COC(=O)CSCC(=O)O Amb33532171 [0,1,0,0,0,1|0,0,2]=4 997 B9R0.1 COC(=O)C\C=C\C(C)=O Amb25205440 [0,1,0,0,0,1|1,0,0]=3 998 B9R0.1 COC(=O)C\C=C\C(C)O Amb27756374 [0,1,0,0,0,1|1,0,1]=4 999 B9R0.1 COC(=O)C\C=C\[C@@H](C)O Amb28321357 [0,1,0,0,0,1|1,0,1]=4 1000 B9R0.1 COC(=O)C\N=C\C(C)=O Amb28052024 [0,1,0,0,0,1|1,0,1]=4 1001 B9R0.1 COC(=O)NCCC(=O)O Amb6468177 [0,1,0,0,0,1|0,0,2]=4 1002 B9R0.1 COC(=O)N\C=C/C(C)=O Amb27627638 [0,1,0,0,0,1|1,0,0]=3 1003 B9R0.1 COC(=O)N\C=C/C(N)=O Amb28341305 [0,1,0,0,0,1|1,0,0]=3 1004 B9R0.1 COC(=O)N\C=C\C(=O)Cl Amb27838039 [0,1,0,0,0,1|1,0,0]=3 1005 B9R0.1 COC(=O)N\N=C\C(=O)O Amb24427251 [0,1,0,0,0,1|1,0,0]=3 1006 B9R0.1 COC(=O)\C=C/NC(C)=O Amb28067616 [0,1,0,0,0,1|1,0,0]=3 1007 B9R0.1 COC(=O)\C=C/SC(=N)N Amb27845315 [0,1,0,0,0,1|2,0,0]=4 1008 B9R0.1 COC(=O)\C=C\CN(C)O Amb28349189 [0,1,0,0,0,1|2,0,0]=4 1009 B9R0.1 COC(=O)\C=N\NC(N)=O Amb28050079 [0,1,0,0,0,1|2,0,0]=4 1010 B9R0.1 COC(=S)N\N=C\C(=O)O Amb24100367 [0,1,0,0,0,1|1,1,0]=4 1011 B9R0.1 C\C(=C\C=C\C(=O)O)CO Amb27975896 [0,1,0,0,0,1|1,0,0]=3 1012 B9R0.1 O=C(O)CCCC(=O)CO Amb27493969 [0,1,0,0,0,1|0,0,2]=4 1013 B9R0.1 O=C(O)CCCC(=O)NO Amb27494720 [0,1,0,0,0,1|0,0,2]=4 1014 B9R0.1 O=C(O)CCNC(=O)CO Amb24478846 [0,1,0,0,0,1|0,0,2]=4 1015 B9R0.1 O=C(O)\C=C\NC(=O)CCl Amb27494076 [0,1,0,0,0,1|1,0,0]=3 1016 B9R0.1 O=C\C(Cl)=C\C=C\C(=O)O Amb28458190 [0,1,0,0,0,1|1,0,0]=3 1017 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [0,1,0,0,0,1|0,0,1]=3 1018 B9R0.7 C=C(CCC(=O)O)C(C)=O Amb27814984 [0,1,0,0,0,1|1,0,1]=4 1019 B9R0.7 CC(=C=CC(=O)O)C(=O)O Amb17593578 [0,1,0,0,0,1|0,0,0]=2 1020 B9R0.7 CC(=O)C(=O)NCC(=O)O Amb17593639 [0,1,0,0,0,1|1,0,1]=4 1021 B9R0.7 CC(=O)C(=O)OCC(=O)O Amb28126708 [0,1,0,0,0,1|1,0,1]=4 1022 B9R0.7 CC(=O)C(=O)\C=C\C(=O)O Amb27803733 [0,1,0,0,0,1|1,0,0]=3 1023 B9R0.7 CC(=O)CNC(=O)C(=O)O Amb24480846 [0,1,0,0,0,1|1,0,1]=4 1024 B9R0.7 CC(=O)C\C=C(/C)C(C)=O Amb27264520 [0,1,0,0,0,1|2,0,0]=4 1025 B9R0.7 CC(=O)O\C=C(\C)C(C)=O Amb25961809 [0,1,0,0,0,1|2,0,0]=4 1026 B9R0.7 CC(=O)O\C=C(\F)C(=O)O Amb27236545 [0,1,0,0,0,1|1,0,0]=3 1027 B9R0.7 CC(=O)O\N=C(/C)C(=O)O Amb27473311 [0,1,0,0,0,1|2,0,0]=4 1028 B9R0.7 CC(=O)\C(C)=C\NC(N)=O Amb27849656 [0,1,0,0,0,1|2,0,0]=4 1029 B9R0.7 CC(C)=C(C)\C=C\C(=O)O Amb18643593 [0,1,0,0,0,1|2,0,0]=4 1030 B9R0.7 CC(C)=C\C=C(/C)C(=O)O Amb27210759 [0,1,0,0,0,1|2,0,0]=4 1031 B9R0.7 CC(C)=C\C=C(/F)C(=O)O Amb28050050 [0,1,0,0,0,1|2,0,0]=4 1032 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [0,1,0,0,0,1|0,0,2]=4 1033 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [0,1,0,0,0,1|0,0,2]=4 1034 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [0,1,0,0,0,1|0,0,2]=4 1035 B9R0.7 CC(O)C(C)\C=C\C(=O)O Amb27759324 [0,1,0,0,0,1|1,0,1]=4 1036 B9R0.7 CC(O)\C=C\C(C)C(=O)O Amb28246267 [0,1,0,0,0,1|1,0,1]=4 1037 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [0,1,0,0,0,1|0,0,2]=4 1038 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [0,1,0,0,0,1|0,0,2]=4 1039 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [0,1,0,0,0,1|0,0,2]=4 1040 B9R0.7 C[C@@H](O)[C@@H](O)\C=C\C(=O)O Amb28067737 [0,1,0,0,0,1|1,0,1]=4 1041 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [0,1,0,0,0,1|0,0,2]=4 1042 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [0,1,0,0,0,1|0,0,2]=4 1043 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [0,1,0,0,0,1|0,0,2]=4 1044 B9R0.7 C[C@H](O)[C@@H](C)\C=C\C(=O)O Amb28239463 [0,1,0,0,0,1|1,0,1]=4 1045 B9R0.7 C[C@H](O)\C=C\[C@@H](C)C(=O)O Amb27617100 [0,1,0,0,0,1|1,0,1]=4 1046 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [0,1,0,0,0,1|0,0,0]=2 1047 B9R0.7 C\C(=C/C[C@@H](C)O)C(=O)O Amb27254118 [0,1,0,0,0,1|1,0,1]=4 1048 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [0,1,0,0,0,1|0,0,0]=2 1049 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [0,1,0,0,0,1|0,0,1]=3 1050 B9R0.7 C\C(=N/NC(N)=O)C(=O)O Amb9901909 [0,1,0,0,0,1|2,0,0]=4 1051 B9R0.7 NC(=O)C(=O)NCC(=O)O Amb28050058 [0,1,0,0,0,1|1,0,1]=4 1052 B9R0.7 NC(=O)CCC(=O)C(=O)O Amb26369364 [0,1,0,0,0,1|1,0,1]=4 1053 B9R0.7 NC(=O)CNC(=O)C(=O)O Amb9303805 [0,1,0,0,0,1|1,0,1]=4 1054 B9R0.7 NC(=O)N\C=C(/F)C(=O)O Amb17614482 [0,1,0,0,0,1|1,0,0]=3 1055 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [0,1,0,0,0,1|0,0,2]=4 1056 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [0,1,0,0,0,1|0,0,2]=4 1057 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [0,1,0,0,0,1|0,0,2]=4 1058 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [0,1,0,0,0,1|0,0,2]=4 1059 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [0,1,0,0,0,1|0,0,2]=4 1060 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [0,1,0,0,0,1|0,0,2]=4 1061 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [0,1,0,0,0,1|0,0,2]=4 1062 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [0,1,0,0,0,1|0,0,2]=4 1063 B9R0.7 O=C(Cl)SCC(=O)C(=O)O Amb33070040 [0,1,0,0,0,1|1,0,1]=4 1064 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [0,1,0,0,0,1|0,0,1]=3 1065 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [0,1,0,0,0,1|0,0,1]=3 1066 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [0,1,0,0,0,1|0,0,1]=3 1067 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [0,1,0,0,0,1|0,0,2]=4 1068 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [0,1,0,0,0,1|0,0,2]=4 1069 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [0,1,0,0,0,1|0,0,2]=4 1070 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [0,1,0,0,0,1|0,0,2]=4 1071 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [0,1,0,0,0,1|0,0,2]=4 1072 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [0,1,0,0,0,1|0,0,2]=4 1073 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [0,1,0,0,0,1|0,0,2]=4 1074 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [0,1,0,0,0,1|0,0,2]=4 1075 B9R0.7 O=C(O)CNC(=O)C(=O)O Amb2447304 [0,1,0,0,0,1|0,0,1]=3 1076 B9R0.7 O=C(O)COC(=O)C(=O)O Amb28050116 [0,1,0,0,0,1|0,0,1]=3 1077 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [0,1,0,0,0,1|0,0,0]=2 1078 B9R0.7 O=C(O)\C=C\C(=O)C(=O)O Amb27214257 [0,1,0,0,0,1|0,0,0]=2 1079 B9R0.7 O=C(O)\C=C\C(Cl)=C(Cl)Cl Amb24452138 [0,1,0,0,0,1|2,0,0]=4 1080 B9R0.7 O=C([O-])CCC(=O)C(=O)O Amb22231405 [0,1,0,0,0,1|0,0,2]=4 1081 B9R0.53 CC(=O)NC(=O)CC(=O)O Amb24671240 [0,1,0,0,0,1|1,0,1]=4 1082 B9R0.53 CC(=O)NC(=O)\C=C(/C)O Amb27789891 [0,1,0,0,0,1|2,0,0]=4 1083 B9R0.53 CC(=O)NC(=O)\C=C(\C)O Amb27873079 [0,1,0,0,0,1|2,0,0]=4 1084 B9R0.53 CC(=O)O\C(C)=C/C(N)=O Amb27860203 [0,1,0,0,0,1|2,0,0]=4 1085 B9R0.53 CC(=O)\C=C(/C)CC(C)=O Amb24647875 [0,1,0,0,0,1|2,0,0]=4 1086 B9R0.53 CC(=O)\C=C(/C)OC(C)=O Amb24706701 [0,1,0,0,0,1|2,0,0]=4 1087 B9R0.53 CC(=O)\C=C(/O)CC(C)=O Amb27945526 [0,1,0,0,0,1|2,0,0]=4 1088 B9R0.53 CC(=O)\C=C(O)\C=C(/C)O Amb27467826 [0,1,0,0,0,1|2,0,0]=4 1089 B9R0.53 CC(=O)\C=C(\C)CC(C)=O Amb25719264 [0,1,0,0,0,1|2,0,0]=4 1090 B9R0.53 CC(C)=C\C(C)=C\C(=O)O Amb27422044 [0,1,0,0,0,1|2,0,0]=4 1091 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [0,1,0,0,0,1|0,0,2]=4 1092 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,1,0,0,0,1|0,0,2]=4 1093 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [0,1,0,0,0,1|0,0,0]=2 1094 B9R0.53 C\C(=C/C(=O)O)CN(C)O Amb27459209 [0,1,0,0,0,1|2,0,0]=4 1095 B9R0.53 C\C(=C/C(=O)O)SC(=N)N Amb27816163 [0,1,0,0,0,1|2,0,0]=4 1096 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [0,1,0,0,0,1|0,0,0]=2 1097 B9R0.53 NC(=O)NC(=O)CC(=O)O Amb25887627 [0,1,0,0,0,1|1,0,1]=4 1098 B9R0.53 NC(=O)\C=C(/N)CC(N)=O Amb27846214 [0,1,0,0,0,1|2,0,0]=4 1099 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,1,0,0,0,1|0,0,2]=4 1100 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [0,1,0,0,0,1|0,0,2]=4 1101 B9R0.53 NN(CC(=O)O)CC(=O)O Amb534841 [0,1,0,0,0,1|0,0,2]=4 1102 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [0,1,0,0,0,1|0,0,1]=3 1103 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [0,1,0,0,0,1|0,0,2]=4 1104 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [0,1,0,0,0,1|0,0,2]=4 1105 B9R0.53 O=C(O)CS(=O)CC(=O)O Amb6364793 [0,1,0,0,0,1|0,0,2]=4 1106 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [0,1,0,0,0,1|0,0,0]=2 1107 B9R0.53 [NH3+]N(CC(=O)O)CC(=O)O Amb23453377 [0,1,0,0,0,1|0,0,2]=4 1108 B9R0.56 CC(C)(O)C\C=C\C(=O)O Amb18644104 [0,1,0,0,0,1|1,0,1]=4 1109 B9R0.56 CS(=O)(=O)C\C=C\C(=O)O Amb33481784 [0,1,0,0,0,1|1,0,1]=4 1110 B9R0.56 O=C(O)\C=C\CS(=O)(=O)Cl Amb27601307 [0,1,0,0,0,1|1,0,1]=4 1111 B9R0.56 O=C(O)\C=C\CS(=O)(=O)O Amb25185208 [0,1,0,0,0,1|1,0,0]=3 1112 B9R0.56 O=C(O)\C=N\NS(=O)(=O)O Amb27484007 [0,1,0,0,0,1|2,0,0]=4 1113 B9R0.21 COC(=O)\C=C\S(=O)(=O)Cl Amb26343032 [0,2,0,0,0,0|1,0,1]=4 1114 B9R0.21 COC(=O)\C=C\S(=O)(=O)F Amb24595422 [0,2,0,0,0,0|1,0,1]=4 1115 B9R0.21 COC(=O)\C=C\S(C)(=O)=O Amb24538735 [0,2,0,0,0,0|1,0,1]=4 1116 B9R0.23 C=C(CC(=O)O)C(=O)OC Amb4034427 [0,2,0,0,0,0|0,0,1]=3 1117 B9R0.23 C=C(NC(C)=O)C(=O)OC Amb10807388 [0,2,0,0,0,0|2,0,0]=4 1118 B9R0.23 CC(=O)\C=C(C)/C(C)=N\O Amb28052448 [0,2,0,0,0,0|2,0,0]=4 1119 B9R0.23 CCS(=O)\C(C)=C/C(=O)O Amb27878557 [0,2,0,0,0,0|2,0,0]=4 1120 B9R0.23 CCS(=O)\C(C)=C\C(=O)O Amb27817744 [0,2,0,0,0,0|2,0,0]=4 1121 B9R0.23 CN(CC(=O)O)C(=O)CO Amb25848387 [0,2,0,0,0,0|1,0,1]=4 1122 B9R0.23 CNC(=O)\C(C)=C\C(=O)O Amb27202767 [0,2,0,0,0,0|1,0,0]=3 1123 B9R0.23 COC(=O)C(=O)CC(C)=O Amb1155424 [0,2,0,0,0,0|1,0,1]=4 1124 B9R0.23 COC(=O)C(=O)NC(N)=O Amb27229772 [0,2,0,0,0,0|2,0,0]=4 1125 B9R0.23 COC(=O)C(Br)CC(=O)O Amb18656999 [0,2,0,0,0,0|0,0,2]=4 1126 B9R0.23 COC(=O)C(C)CC(=O)O Amb18644248 [0,2,0,0,0,0|0,0,2]=4 1127 B9R0.23 COC(=O)C(Cl)CC(=O)O Amb27589899 [0,2,0,0,0,0|0,0,2]=4 1128 B9R0.23 COC(=O)C(F)CC(=O)O Amb27837974 [0,2,0,0,0,0|0,0,2]=4 1129 B9R0.23 COC(=O)C(N)CC(=O)O Amb18644309 [0,2,0,0,0,0|0,0,2]=4 1130 B9R0.23 COC(=O)C(O)CC(=O)O Amb17615865 [0,2,0,0,0,0|0,0,2]=4 1131 B9R0.23 COC(=O)N(C)CC(=O)O Amb6668732 [0,2,0,0,0,0|1,0,1]=4 1132 B9R0.23 COC(=O)[C@@H](F)CC(=O)O Amb27406311 [0,2,0,0,0,0|0,0,2]=4 1133 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb22746069 [0,2,0,0,0,0|0,0,2]=4 1134 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb8390387 [0,2,0,0,0,0|0,0,2]=4 1135 B9R0.23 COC(=O)[C@@H](O)CC(=O)O Amb17615867 [0,2,0,0,0,0|0,0,2]=4 1136 B9R0.23 COC(=O)[C@H](C)CC(=O)O Amb24561954 [0,2,0,0,0,0|0,0,2]=4 1137 B9R0.23 COC(=O)[C@H](Cl)CC(=O)O Amb27232518 [0,2,0,0,0,0|0,0,2]=4 1138 B9R0.23 COC(=O)[C@H](N)CC(=O)O Amb19944281 [0,2,0,0,0,0|0,0,2]=4 1139 B9R0.23 COC(=O)[C@H](O)CC(=O)O Amb17615866 [0,2,0,0,0,0|0,0,2]=4 1140 B9R0.23 COC(=O)\C(Br)=C\C(=O)O Amb15695379 [0,2,0,0,0,0|0,0,0]=2 1141 B9R0.23 COC(=O)\C(C)=C\C(=O)O Amb27221493 [0,2,0,0,0,0|0,0,0]=2 1142 B9R0.23 COC(=O)\C(C)=C\C(C)=O Amb27164598 [0,2,0,0,0,0|1,0,0]=3 1143 B9R0.23 COC(=O)\C(F)=C\C(=O)O Amb28288995 [0,2,0,0,0,0|0,0,0]=2 1144 B9R0.23 COC(=O)\C(N)=C\C(C)=O Amb24411031 [0,2,0,0,0,0|1,0,0]=3 1145 B9R0.23 COC(=O)\C(N)=C\C(N)=O Amb27254114 [0,2,0,0,0,0|1,0,0]=3 1146 B9R0.23 COC(=O)\C(O)=C\C(C)=O Amb1981446 [0,2,0,0,0,0|1,0,0]=3 1147 B9R0.23 COC(=O)\C([O-])=C\C(C)=O Amb29083217 [0,2,0,0,0,0|1,0,0]=3 1148 B9R0.23 N[C@H](CC(=O)O)C(=O)NO Amb27413035 [0,2,0,0,0,0|0,0,2]=4 1149 B9R0.24 CNC(=O)\C=C\C(=O)NC Amb26935675 [0,2,0,0,0,0|2,0,0]=4 1150 B9R0.24 CNC(=O)\N=C\C(=O)OC Amb27473353 [0,2,0,0,0,0|2,0,0]=4 1151 B9R0.24 COC(=O)C#CC(=O)OC Amb6891940 [0,2,0,0,0,0|0,0,2]=4 1152 B9R0.24 COC(=O)C=C=C(C)CO Amb28281347 [0,2,0,0,0,0|1,0,1]=4 1153 B9R0.24 COC(=O)CCC(=O)NO Amb28454716 [0,2,0,0,0,0|0,0,2]=4 1154 B9R0.24 COC(=O)CCC(=O)OC Amb2793094 [0,2,0,0,0,0|0,0,2]=4 1155 B9R0.24 COC(=O)CNC(=O)CO Amb28410960 [0,2,0,0,0,0|1,0,1]=4 1156 B9R0.24 COC(=O)CNC(=O)OC Amb9265412 [0,2,0,0,0,0|1,0,1]=4 1157 B9R0.24 COC(=O)COC(=O)CO Amb28206230 [0,2,0,0,0,0|1,0,1]=4 1158 B9R0.24 COC(=O)C\C=C(\C)CO Amb28050664 [0,2,0,0,0,0|1,0,1]=4 1159 B9R0.24 COC(=O)NCC(=O)NO Amb27211651 [0,2,0,0,0,0|1,0,1]=4 1160 B9R0.24 COC(=O)N\C=C(/C)C=O Amb27837939 [0,2,0,0,0,0|2,0,0]=4 1161 B9R0.24 COC(=O)O\C=C(\C)C=O Amb27640699 [0,2,0,0,0,0|2,0,0]=4 1162 B9R0.24 COC(=O)\C=C/C(=O)OC Amb8514575 [0,2,0,0,0,0|0,0,0]=2 1163 B9R0.24 COC(=O)\C=C\C(=O)CBr Amb26539741 [0,2,0,0,0,0|1,0,0]=3 1164 B9R0.24 COC(=O)\C=C\C(=O)OC Amb1789270 [0,2,0,0,0,0|0,0,0]=2 1165 B9R0.24 COC(=O)\C=C\C(C)CO Amb28454593 [0,2,0,0,0,0|1,0,1]=4 1166 B9R0.24 COC(=O)\C=C\[C@@H](Br)CO Amb28050001 [0,2,0,0,0,0|1,0,1]=4 1167 B9R0.24 COC(=O)\C=C\[C@@H](O)CO Amb27775775 [0,2,0,0,0,0|0,0,2]=4 1168 B9R0.24 COC(=O)\N=N\C(=O)OC Amb6296109 [0,2,0,0,0,0|2,0,0]=4 1169 B9R0.24 NNC(=O)\C=C/C(=O)NN Amb26334351 [0,2,0,0,0,0|2,0,0]=4 1170 B9R0.24 NOC(=O)CCC(=O)ON Amb22346144 [0,2,0,0,0,0|0,0,2]=4 1171 B9R0.24 O=C(\C=C\C(=O)CCl)CCl Amb27232962 [0,2,0,0,0,0|2,0,0]=4 1172 B9R0.24 O=C(\C=C\C(O)CO)CO Amb26531357 [0,2,0,0,0,0|0,0,2]=4 1173 B9R0.42 C=C(CC(=O)NC)C(=O)O Amb22269311 [0,2,0,0,0,0|1,0,1]=4 1174 B9R0.42 C=C(CC(=O)OC)C(=O)O Amb4035034 [0,2,0,0,0,0|0,0,1]=3 1175 B9R0.42 C=C(NC(=O)CCl)C(=O)O Amb1951911 [0,2,0,0,0,0|2,0,0]=4 1176 B9R0.42 C=C(NC(=O)CN)C(=O)O Amb25845451 [0,2,0,0,0,0|2,0,0]=4 1177 B9R0.42 C=C(OC(=O)OC)C(C)=O Amb25951847 [0,2,0,0,0,0|2,0,0]=4 1178 B9R0.42 CC(=C/Br)\C=C(/C)C(=O)O Amb28050022 [0,2,0,0,0,0|2,0,0]=4 1179 B9R0.42 CCC(=O)\C=C(/C)C(=O)O Amb27613306 [0,2,0,0,0,0|1,0,0]=3 1180 B9R0.42 COC(=O)CC(=O)C(=O)O Amb22728219 [0,2,0,0,0,0|0,0,1]=3 1181 B9R0.42 COC(=O)CC(=O)C(=O)[O-] Amb34916317 [0,2,0,0,0,0|0,0,2]=4 1182 B9R0.42 COC(=O)CC(=O)C(C)=O Amb25146895 [0,2,0,0,0,0|1,0,1]=4 1183 B9R0.42 COC(=O)CC(Br)C(=O)O Amb18656998 [0,2,0,0,0,0|0,0,2]=4 1184 B9R0.42 COC(=O)CC(C)C(=O)O Amb18644239 [0,2,0,0,0,0|0,0,2]=4 1185 B9R0.42 COC(=O)CC(Cl)C(=O)O Amb32941126 [0,2,0,0,0,0|0,0,2]=4 1186 B9R0.42 COC(=O)CC(N)C(=O)O Amb22489498 [0,2,0,0,0,0|0,0,2]=4 1187 B9R0.42 COC(=O)CC(N)C(=O)O Amb7172558 [0,2,0,0,0,0|0,0,2]=4 1188 B9R0.42 COC(=O)CC(N)C(=O)O Amb8390391 [0,2,0,0,0,0|0,0,2]=4 1189 B9R0.42 COC(=O)CC(O)C(=O)O Amb25786182 [0,2,0,0,0,0|0,0,2]=4 1190 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Amb3939892 [0,2,0,0,0,0|0,0,2]=4 1191 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb22745861 [0,2,0,0,0,0|0,0,2]=4 1192 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb8385327 [0,2,0,0,0,0|0,0,2]=4 1193 B9R0.42 COC(=O)C[C@@H](O)C(=O)O Amb23603858 [0,2,0,0,0,0|0,0,2]=4 1194 B9R0.42 COC(=O)C[C@H](Br)C(=O)O Amb26619839 [0,2,0,0,0,0|0,0,2]=4 1195 B9R0.42 COC(=O)C[C@H](C)C(=O)O Amb26967622 [0,2,0,0,0,0|0,0,2]=4 1196 B9R0.42 COC(=O)C[C@H](N)C(=O)O Amb8629121 [0,2,0,0,0,0|0,0,2]=4 1197 B9R0.42 COC(=O)C[C@H](O)C(=O)O Amb25367304 [0,2,0,0,0,0|0,0,2]=4 1198 B9R0.42 COC(=O)NC(C)C(=O)O Amb6668789 [0,2,0,0,0,0|1,0,1]=4 1199 B9R0.42 COC(=O)N[C@@H](C)C(=O)O Amb24477985 [0,2,0,0,0,0|1,0,1]=4 1200 B9R0.42 COC(=O)N[C@H](C)C(=O)O Amb24381066 [0,2,0,0,0,0|1,0,1]=4 1201 B9R0.42 COC(=O)\C=C(/C)C(=O)O Amb18644070 [0,2,0,0,0,0|0,0,0]=2 1202 B9R0.42 COC(=O)\C=C(/C)C(C)=O Amb20668358 [0,2,0,0,0,0|1,0,0]=3 1203 B9R0.42 COC(=O)\C=C(/N)C(N)=O Amb5725948 [0,2,0,0,0,0|1,0,0]=3 1204 B9R0.42 COC(=O)\C=C(\C)C(N)=O Amb28198152 [0,2,0,0,0,0|1,0,0]=3 1205 B9R0.42 COC(=O)\C=C(\N)C(N)=O Amb6607860 [0,2,0,0,0,0|1,0,0]=3 1206 B9R0.42 COC(C)\C=C(\C)C(=O)O Amb27432877 [0,2,0,0,0,0|1,0,1]=4 1207 B9R0.42 C\C(=N/C(=O)CO)C(=O)O Amb27426561 [0,2,0,0,0,0|1,0,0]=3 1208 B9R0.42 NC(CC(=O)CO)C(=O)O Amb18644310 [0,2,0,0,0,0|0,0,2]=4 1209 B9R0.42 NC(CC(=O)NO)C(=O)O Amb22349932 [0,2,0,0,0,0|0,0,2]=4 1210 B9R0.42 NC(\C=C(\P)C=O)C(=O)O Amb25361040 [0,2,0,0,0,0|1,0,1]=4 1211 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O Amb28050099 [0,2,0,0,0,0|0,0,2]=4 1212 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O Amb28320876 [0,2,0,0,0,0|0,0,2]=4 1213 B9R0.43 CCC(\C=C\C(=O)O)OC Amb33326095 [0,2,0,0,0,0|1,0,1]=4 1214 B9R0.43 C\C=C(/C=C/C(=O)O)CC Amb28315773 [0,2,0,0,0,0|2,0,0]=4 1215 B9R0.43 C\C=C(\C=C\C(=O)O)CC Amb18643591 [0,2,0,0,0,0|2,0,0]=4 1216 B9R0.43 N#CC(\C=C\C(=O)O)=N/O Amb28050090 [0,2,0,0,0,0|1,0,0]=3 1217 B9R0.48 C=C(C)\C=C\C(=O)OCC Amb26890933 [0,2,0,0,0,0|2,0,0]=4 1218 B9R0.48 C=CCC(O)\C=C\C(=O)O Amb27620632 [0,2,0,0,0,0|1,0,1]=4 1219 B9R0.48 C=COC(=O)NCC(=O)O Amb28063004 [0,2,0,0,0,0|1,0,1]=4 1220 B9R0.48 C=COC(=O)\C=C/C(=O)O Amb28341819 [0,2,0,0,0,0|0,0,0]=2 1221 B9R0.48 C=COC(=O)\C=C/C(N)=O Amb27164316 [0,2,0,0,0,0|1,0,0]=3 1222 B9R0.48 CC(=C\C=O)\C=C\C(=O)O Amb27210491 [0,2,0,0,0,0|1,0,0]=3 1223 B9R0.48 CC(=O)\C=C\C(C)=C\C=O Amb27445134 [0,2,0,0,0,0|2,0,0]=4 1224 B9R0.48 CC(\C=C\C(=O)O)=C/C=O Amb27215348 [0,2,0,0,0,0|1,0,0]=3 1225 B9R0.48 CC(\C=C\C(=O)O)CCO Amb27646330 [0,2,0,0,0,0|1,0,1]=4 1226 B9R0.48 CCCC(O)\C=C\C(=O)O Amb27790698 [0,2,0,0,0,0|1,0,1]=4 1227 B9R0.48 CCC[C@@H](O)\C=C\C(=O)O Amb27961045 [0,2,0,0,0,0|1,0,1]=4 1228 B9R0.48 CCNC(=O)\C=C/C(=O)O Amb1235096 [0,2,0,0,0,0|1,0,0]=3 1229 B9R0.48 CCNC(=O)\C=C\C(=O)O Amb9251696 [0,2,0,0,0,0|1,0,0]=3 1230 B9R0.48 CCNC(=O)\C=C\C(C)=O Amb26390897 [0,2,0,0,0,0|2,0,0]=4 1231 B9R0.48 CCOC(=O)CCC(=O)O Amb1151260 [0,2,0,0,0,0|0,0,2]=4 1232 B9R0.48 CCOC(=O)NCC(=O)O Amb6246368 [0,2,0,0,0,0|1,0,1]=4 1233 B9R0.48 CCOC(=O)OCC(=O)O Amb25367281 [0,2,0,0,0,0|1,0,1]=4 1234 B9R0.48 CCOC(=O)\C=C/C(=O)O Amb24462678 [0,2,0,0,0,0|0,0,0]=2 1235 B9R0.48 CCOC(=O)\C=C\B(O)O Amb22497443 [0,2,0,0,0,0|1,0,1]=4 1236 B9R0.48 CCOC(=O)\C=C\C(=O)Cl Amb20620668 [0,2,0,0,0,0|1,0,0]=3 1237 B9R0.48 CCOC(=O)\C=C\C(=O)O Amb2189151 [0,2,0,0,0,0|0,0,0]=2 1238 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] Amb33512916 [0,2,0,0,0,0|0,0,1]=3 1239 B9R0.48 CCOC(=O)\C=C\C(C)=O Amb3428594 [0,2,0,0,0,0|1,0,0]=3 1240 B9R0.48 CCOC(=O)\C=N\C(C)=O Amb27770427 [0,2,0,0,0,0|2,0,0]=4 1241 B9R0.48 CCOC(=O)\N=C\C(C)=O Amb27668941 [0,2,0,0,0,0|2,0,0]=4 1242 B9R0.48 CCOC(C)\C=C\C(=O)O Amb33425399 [0,2,0,0,0,0|1,0,1]=4 1243 B9R0.48 CCSC(=O)\C=C/C(C)=O Amb28126634 [0,2,0,0,0,0|1,1,0]=4 1244 B9R0.48 CNOC(=O)CCC(=O)O Amb28126710 [0,2,0,0,0,0|0,0,2]=4 1245 B9R0.48 COCC(=O)CCC(=O)O Amb27797755 [0,2,0,0,0,0|0,0,2]=4 1246 B9R0.48 COCC(=O)NCC(=O)O Amb1118442 [0,2,0,0,0,0|1,0,1]=4 1247 B9R0.48 CONC(=O)CCC(=O)O Amb27839045 [0,2,0,0,0,0|0,0,2]=4 1248 B9R0.48 CONC(=O)\C=C/C(=O)O Amb27855758 [0,2,0,0,0,0|0,0,0]=2 1249 B9R0.48 C[C@H](\C=C\C(=O)O)CCO Amb28050109 [0,2,0,0,0,0|1,0,1]=4 1250 B9R0.48 N#CNC(=O)\C=C\C(=O)O Amb27488773 [0,2,0,0,0,0|1,0,0]=3 1251 B9R0.48 NC(\C=C/C(=O)O)=C\C=O Amb27450259 [0,2,0,0,0,0|1,0,0]=3 1252 B9R0.48 O=C(O)CCC(=O)NCO Amb28132582 [0,2,0,0,0,0|0,0,2]=4 1253 B9R0.48 O=C(O)\C=C\C(=O)NCO Amb28346249 [0,2,0,0,0,0|0,0,0]=2 1254 B9R0.48 O=CNC(=O)\C=C/C(=O)O Amb28313728 [0,2,0,0,0,0|0,0,1]=3 1255 B9R0.48 [N-]=[N+]=NC(=O)\C=C\C(=O)O Amb25095727 [0,2,0,0,0,0|1,0,0]=3 1256 B9R0.64 CC(C)(C=O)\C=C/C(=O)O Amb27473340 [0,2,0,0,0,0|1,0,1]=4 1257 B9R0.64 CC(C)(\C=C\C(=O)O)CO Amb26900319 [0,2,0,0,0,0|1,0,1]=4 1258 B9R0.64 CCP(=O)(O)\C=C\C(=O)O Amb32661617 [0,2,0,0,0,0|1,0,0]=3 1259 B9R0.64 CCS(=O)(=O)\C=C\C(=O)O Amb32665830 [0,2,0,0,0,0|1,0,1]=4 1260 B9R0.10 C\C(=C/C(=O)O)P(=O)(O)O Amb26337973 [0,2,0,0,0,0|1,0,0]=3 1261 B9R0.10 C\C(=C/C(=O)O)S(=O)(=O)O Amb27634440 [0,2,0,0,0,0|1,0,0]=3 1262 B9R0.11 CC(C)(CC(=O)O)C(=O)O Amb9787793 [0,2,0,0,0,0|0,0,2]=4 1263 B9R0.11 CC(Cl)(CC(=O)O)C(=O)O Amb18126463 [0,2,0,0,0,0|0,0,2]=4 1264 B9R0.11 CC(N)(CC(=O)O)C(=O)O Amb10807406 [0,2,0,0,0,0|0,0,2]=4 1265 B9R0.11 CC(O)(CC(=O)O)C(=O)O Amb6366309 [0,2,0,0,0,0|0,0,2]=4 1266 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O Amb10601663 [0,2,0,0,0,0|0,0,2]=4 1267 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O Amb26398856 [0,2,0,0,0,0|0,0,2]=4 1268 B9R0.11 O=C(O)CC(Cl)(Cl)C(=O)O Amb27971430 [0,2,0,0,0,0|0,0,2]=4 1269 B9R0.11 O=C(O)CC(F)(F)C(=O)O Amb2732193 [0,2,0,0,0,0|0,0,2]=4 1270 B9R0.39 C=C(C)\C=C(/CC)C(=O)O Amb28457972 [0,2,0,0,0,0|2,0,0]=4 1271 B9R0.39 CC(=O)N\C(=C\Br)C(=O)O Amb27451991 [0,2,0,0,0,0|2,0,0]=4 1272 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [0,2,0,0,0,0|0,0,2]=4 1273 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [0,2,0,0,0,0|0,0,2]=4 1274 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [0,2,0,0,0,0|0,0,2]=4 1275 B9R0.39 CC\C(=C/C(=O)O)C(=O)O Amb27421975 [0,2,0,0,0,0|0,0,0]=2 1276 B9R0.39 CC\C(=C/C(=O)O)C(C)=O Amb26391990 [0,2,0,0,0,0|1,0,0]=3 1277 B9R0.39 CC\C(=C/C(C)=O)C(C)=O Amb27878926 [0,2,0,0,0,0|2,0,0]=4 1278 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [0,2,0,0,0,0|0,0,2]=4 1279 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [0,2,0,0,0,0|0,0,2]=4 1280 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [0,2,0,0,0,0|0,0,2]=4 1281 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [0,2,0,0,0,0|0,0,2]=4 1282 B9R0.39 CO[C@H](CC(=O)O)C(=O)O Amb27849552 [0,2,0,0,0,0|0,0,2]=4 1283 B9R0.39 CO\C(=C/C(=O)O)C(C)=O Amb28345759 [0,2,0,0,0,0|1,0,0]=3 1284 B9R0.39 CO\C(=C/C(N)=O)C(N)=O Amb27880582 [0,2,0,0,0,0|2,0,0]=4 1285 B9R0.39 CO\C(=C\C(N)=O)C(=O)O Amb27786138 [0,2,0,0,0,0|1,0,0]=3 1286 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [0,2,0,0,0,0|0,0,2]=4 1287 B9R0.39 C\C=C(/CC(=O)O)C(=O)O Amb8631758 [0,2,0,0,0,0|0,0,1]=3 1288 B9R0.39 C\C=C(/OC(C)=O)C(=O)O Amb27759731 [0,2,0,0,0,0|2,0,0]=4 1289 B9R0.39 C\C=C(\CC(=O)O)C(=O)O Amb25292254 [0,2,0,0,0,0|0,0,1]=3 1290 B9R0.39 C\C=C(\NC(C)=O)C(=O)O Amb27781271 [0,2,0,0,0,0|2,0,0]=4 1291 B9R0.39 N#C\C(=C\C(=O)O)C(=O)O Amb28074279 [0,2,0,0,0,0|0,0,0]=2 1292 B9R0.39 N=CC(CC(=O)O)C(=O)O Amb27653604 [0,2,0,0,0,0|0,0,2]=4 1293 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [0,2,0,0,0,0|0,0,2]=4 1294 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [0,2,0,0,0,0|0,0,2]=4 1295 B9R0.39 NNC(CC(=O)O)C(=O)O Amb28070991 [0,2,0,0,0,0|0,0,2]=4 1296 B9R0.39 NN[C@@H](CC(=O)O)C(=O)O Amb24117193 [0,2,0,0,0,0|0,0,2]=4 1297 B9R0.39 N\C=C(\CC(=O)O)C(=O)O Amb28050321 [0,2,0,0,0,0|0,0,1]=3 1298 B9R0.39 O=C(O)CC(CBr)C(=O)O Amb22752144 [0,2,0,0,0,0|0,0,2]=4 1299 B9R0.39 O=C(O)CC(CF)C(=O)O Amb33379249 [0,2,0,0,0,0|0,0,2]=4 1300 B9R0.39 O=C(O)CC(NCl)C(=O)O Amb27953217 [0,2,0,0,0,0|0,0,2]=4 1301 B9R0.39 O=C(O)CC(NO)C(=O)O Amb24685872 [0,2,0,0,0,0|0,0,2]=4 1302 B9R0.39 O=C(O)CC(NS)C(=O)O Amb25808901 [0,2,0,0,0,0|0,0,2]=4 1303 B9R0.39 O=C(O)C[C@H](NCl)C(=O)O Amb27401859 [0,2,0,0,0,0|0,0,2]=4 1304 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24117497 [0,2,0,0,0,0|0,0,2]=4 1305 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24630025 [0,2,0,0,0,0|0,0,2]=4 1306 B9R0.39 O=C(O)C\C(=N/O)C(=O)O Amb24117074 [0,2,0,0,0,0|0,0,1]=3 1307 B9R0.39 O=C(O)C\C(=N\O)C(=O)O Amb27828721 [0,2,0,0,0,0|0,0,1]=3 1308 B9R0.39 O=C\C(=C/C(=O)O)C(=O)O Amb18644051 [0,2,0,0,0,0|0,0,0]=2 1309 B9R0.57 C=C(NP(=O)(O)O)C(=O)O Amb28291454 [0,2,0,0,0,0|2,0,0]=4 1310 B9R0.57 C=C(OP(=O)(O)O)C(=O)O Amb557729 [0,2,0,0,0,0|2,0,0]=4 1311 B9R0.57 C=C(OP(=O)([O-])O)C(=O)O Amb22263102 [0,2,0,0,0,0|2,0,0]=4 1312 B9R0.57 C=C(OP(=O)([O-])O)C(=O)O Amb553990 [0,2,0,0,0,0|2,0,0]=4 1313 B9R0.57 C=C(OS(=O)(=O)O)C(=O)O Amb28396507 [0,2,0,0,0,0|2,0,0]=4 1314 B9R0.57 O=C(O)C(=O)CS(=O)(=O)O Amb26352119 [0,2,0,0,0,0|1,0,1]=4 1315 B9R0.79 CC(=O)C(=O)C(=O)C(C)=O Amb26477321 [0,2,0,0,0,0|2,0,0]=4 1316 B9R0.79 CC(=O)C(=O)\C(O)=C(/C)O Amb27243843 [0,2,0,0,0,0|2,0,0]=4 1317 B9R0.79 CC(=O)C(Cl)C(=O)C(=O)O Amb27600115 [0,2,0,0,0,0|1,0,1]=4 1318 B9R0.79 CC(=O)\C(C)=C(/C)C(C)=O Amb28201503 [0,2,0,0,0,0|2,0,0]=4 1319 B9R0.79 CC(=O)\C(C)=C(\C)C(C)=O Amb27195478 [0,2,0,0,0,0|2,0,0]=4 1320 B9R0.79 CC(C(=O)O)C(Br)C(=O)O Amb2612973 [0,2,0,0,0,0|0,0,2]=4 1321 B9R0.79 CC(C(=O)O)C(C)C(=O)O Amb8513150 [0,2,0,0,0,0|0,0,2]=4 1322 B9R0.79 CC(C(=O)O)C(N)C(=O)O Amb2099482 [0,2,0,0,0,0|0,0,2]=4 1323 B9R0.79 CC(C(=O)O)C(O)C(=O)O Amb17593680 [0,2,0,0,0,0|0,0,2]=4 1324 B9R0.79 C[C@@H](C(=O)O)C(N)C(=O)O Amb27877897 [0,2,0,0,0,0|0,0,2]=4 1325 B9R0.79 C[C@@H](C(=O)O)[C@@H](N)C(=O)O Amb27170727 [0,2,0,0,0,0|0,0,2]=4 1326 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O Amb25324829 [0,2,0,0,0,0|0,0,2]=4 1327 B9R0.79 C[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27243908 [0,2,0,0,0,0|0,0,2]=4 1328 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O Amb22801175 [0,2,0,0,0,0|0,0,2]=4 1329 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb27783086 [0,2,0,0,0,0|0,0,2]=4 1330 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb31031234 [0,2,0,0,0,0|0,0,2]=4 1331 B9R0.79 C[C@H](C(=O)O)[C@H](Br)C(=O)O Amb27463297 [0,2,0,0,0,0|0,0,2]=4 1332 B9R0.79 C[C@H](C(=O)O)[C@H](C)C(=O)O Amb27460990 [0,2,0,0,0,0|0,0,2]=4 1333 B9R0.79 C[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27955233 [0,2,0,0,0,0|0,0,2]=4 1334 B9R0.79 C\C(C(=O)O)=C(/Cl)C(=O)O Amb27858839 [0,2,0,0,0,0|0,0,0]=2 1335 B9R0.79 C\C(C(=O)O)=C(\C)C(=O)O Amb24712245 [0,2,0,0,0,0|0,0,0]=2 1336 B9R0.79 C\C(C(=O)O)=C(\O)C(=O)O Amb27867258 [0,2,0,0,0,0|0,0,0]=2 1337 B9R0.79 NC(=O)\C(Br)=C(/Br)C(N)=O Amb25837516 [0,2,0,0,0,0|2,0,0]=4 1338 B9R0.79 NC(=O)\C(Cl)=C(\Cl)C(N)=O Amb28342301 [0,2,0,0,0,0|2,0,0]=4 1339 B9R0.79 NC(=O)\C(N)=C(/N)C(N)=O Amb27461275 [0,2,0,0,0,0|2,0,0]=4 1340 B9R0.79 NC(C(=O)O)C(F)C(=O)O Amb24061061 [0,2,0,0,0,0|0,0,2]=4 1341 B9R0.79 NC(C(=O)O)C(N)C(=O)O Amb24117894 [0,2,0,0,0,0|0,0,2]=4 1342 B9R0.79 NC(C(=O)O)C(O)C(=O)O Amb9871461 [0,2,0,0,0,0|0,0,2]=4 1343 B9R0.79 N[C@@H](C(=O)O)C(F)C(=O)O Amb27494927 [0,2,0,0,0,0|0,0,2]=4 1344 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb17942870 [0,2,0,0,0,0|0,0,2]=4 1345 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27470435 [0,2,0,0,0,0|0,0,2]=4 1346 B9R0.79 N[C@H](C(=O)O)C(F)C(=O)O Amb27796116 [0,2,0,0,0,0|0,0,2]=4 1347 B9R0.79 N[C@H](C(=O)O)[C@@H](F)C(=O)O Amb27865514 [0,2,0,0,0,0|0,0,2]=4 1348 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O Amb10072362 [0,2,0,0,0,0|0,0,2]=4 1349 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24087715 [0,2,0,0,0,0|0,0,2]=4 1350 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24117974 [0,2,0,0,0,0|0,0,2]=4 1351 B9R0.79 N[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27796563 [0,2,0,0,0,0|0,0,2]=4 1352 B9R0.79 N[C@H](C(=O)O)[C@H](F)C(=O)O Amb26945975 [0,2,0,0,0,0|0,0,2]=4 1353 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O Amb27173533 [0,2,0,0,0,0|0,0,2]=4 1354 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb17615140 [0,2,0,0,0,0|0,0,2]=4 1355 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb33714683 [0,2,0,0,0,0|0,0,2]=4 1356 B9R0.79 O=C(O)C(=O)C(O)=C(O)O Amb26515642 [0,2,0,0,0,0|0,0,1]=3 1357 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O Amb2686761 [0,2,0,0,0,0|0,0,2]=4 1358 B9R0.79 O=C(O)C(Cl)C(Cl)C(=O)O Amb26345874 [0,2,0,0,0,0|0,0,2]=4 1359 B9R0.79 O=C(O)C(F)C(Cl)C(=O)O Amb27875188 [0,2,0,0,0,0|0,0,2]=4 1360 B9R0.79 O=C(O)C(O)C(Cl)C(=O)O Amb17594225 [0,2,0,0,0,0|0,0,2]=4 1361 B9R0.79 O=C(O)C(O)C(F)C(=O)O Amb24479232 [0,2,0,0,0,0|0,0,2]=4 1362 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb24668916 [0,2,0,0,0,0|0,0,2]=4 1363 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb6608787 [0,2,0,0,0,0|0,0,2]=4 1364 B9R0.79 O=C(O)C(S)C(S)C(=O)O Amb8627761 [0,2,0,0,0,0|0,0,2]=4 1365 B9R0.79 O=C(O)[C@@H](Cl)[C@H](O)C(=O)O Amb27845392 [0,2,0,0,0,0|0,0,2]=4 1366 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O Amb22230832 [0,2,0,0,0,0|0,0,2]=4 1367 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb17616192 [0,2,0,0,0,0|0,0,2]=4 1368 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb19884028 [0,2,0,0,0,0|0,0,2]=4 1369 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22750609 [0,2,0,0,0,0|0,0,2]=4 1370 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22756774 [0,2,0,0,0,0|0,0,2]=4 1371 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb34915014 [0,2,0,0,0,0|0,0,2]=4 1372 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb5722339 [0,2,0,0,0,0|0,0,2]=4 1373 B9R0.79 O=C(O)[C@@H](S)[C@H](S)C(=O)O Amb28195042 [0,2,0,0,0,0|0,0,2]=4 1374 B9R0.79 O=C(O)[C@H](Br)[C@H](F)C(=O)O Amb28050029 [0,2,0,0,0,0|0,0,2]=4 1375 B9R0.79 O=C(O)[C@H](F)[C@H](F)C(=O)O Amb28365940 [0,2,0,0,0,0|0,0,2]=4 1376 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb19884026 [0,2,0,0,0,0|0,0,2]=4 1377 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20240604 [0,2,0,0,0,0|0,0,2]=4 1378 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20670711 [0,2,0,0,0,0|0,0,2]=4 1379 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb34915016 [0,2,0,0,0,0|0,0,2]=4 1380 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb8628435 [0,2,0,0,0,0|0,0,2]=4 1381 B9R0.79 O=C(O)[C@H](O)[C@H](Br)C(=O)O Amb28252354 [0,2,0,0,0,0|0,0,2]=4 1382 B9R0.79 O=C(O)[C@H](O)[C@H](Cl)C(=O)O Amb27477747 [0,2,0,0,0,0|0,0,2]=4 1383 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Amb8393135 [0,2,0,0,0,0|0,0,2]=4 1384 B9R0.79 O=C(O)\C(Br)=C(/Br)C(=O)O Amb27465194 [0,2,0,0,0,0|0,0,0]=2 1385 B9R0.79 O=C(O)\C(Br)=C(\Br)C(=O)O Amb22347940 [0,2,0,0,0,0|0,0,0]=2 1386 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O Amb18511532 [0,2,0,0,0,0|0,0,0]=2 1387 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O Amb33802774 [0,2,0,0,0,0|0,0,0]=2 1388 B9R0.79 O=C(O)\C(O)=C(\O)C(=O)O Amb17593679 [0,2,0,0,0,0|0,0,0]=2 1389 B7R1.2 Brc1ccc(Br)o1 Amb19651339 [1,0,0,1,0,0|2,0,0]=4 1390 B7R1.2 CC1C=CC(=O)O1 Amb24053964 [1,0,0,1,0,0|1,0,1]=4 1391 B7R1.2 Cc1ccc(Br)o1 Amb10600628 [1,0,0,1,0,0|2,0,0]=4 1392 B7R1.2 Cc1ccc(C)o1 Amb2447078 [1,0,0,1,0,0|2,0,0]=4 1393 B7R1.2 Cc1ccc(Cl)o1 Amb25242029 [1,0,0,1,0,0|2,0,0]=4 1394 B7R1.2 Cc1ccc(F)o1 Amb27397440 [1,0,0,1,0,0|2,0,0]=4 1395 B7R1.2 Cc1ccc(I)o1 Amb25723970 [1,0,0,1,0,0|2,0,0]=4 1396 B7R1.2 Cc1ccc(N)o1 Amb10600629 [1,0,0,1,0,0|2,0,0]=4 1397 B7R1.2 Cc1ccc(O)o1 Amb26645726 [1,0,0,1,0,0|1,0,0]=3 1398 B7R1.2 Cc1ccc(O)s1 Amb17593190 [1,0,0,1,0,0|1,1,0]=4 1399 B7R1.2 Cc1ccc(S)o1 Amb25888543 [1,0,0,1,0,0|1,1,0]=4 1400 B7R1.2 Cc1ncc(O)o1 Amb26530422 [1,0,0,1,0,0|2,0,0]=4 1401 B7R1.2 Clc1ccc(Br)o1 Amb28122976 [1,0,0,1,0,0|2,0,0]=4 1402 B7R1.2 Clc1ccc(I)o1 Amb24752684 [1,0,0,1,0,0|2,0,0]=4 1403 B7R1.2 Fc1ccc(Br)o1 Amb18199668 [1,0,0,1,0,0|2,0,0]=4 1404 B7R1.2 Fc1ccc(Cl)o1 Amb26862440 [1,0,0,1,0,0|2,0,0]=4 1405 B7R1.2 Fc1ccc(F)o1 Amb27634413 [1,0,0,1,0,0|2,0,0]=4 1406 B7R1.2 Nc1ccc(Br)o1 Amb13884560 [1,0,0,1,0,0|2,0,0]=4 1407 B7R1.2 Nc1ccc(Cl)o1 Amb25360216 [1,0,0,1,0,0|2,0,0]=4 1408 B7R1.2 Nc1ccc(F)o1 Amb18202898 [1,0,0,1,0,0|2,0,0]=4 1409 B7R1.2 Nc1ccc(I)o1 Amb25888418 [1,0,0,1,0,0|2,0,0]=4 1410 B7R1.2 Nc1ccc(N)o1 Amb18203063 [1,0,0,1,0,0|2,0,0]=4 1411 B7R1.2 Nc1ccc(O)o1 Amb24526005 [1,0,0,1,0,0|1,0,0]=3 1412 B7R1.2 O=C1C=CC(=O)C1 Amb22338203 [1,0,0,1,0,0|1,0,0]=3 1413 B7R1.2 O=C1C=CC(=O)N1 Amb1235242 [1,0,0,1,0,0|1,0,0]=3 1414 B7R1.2 O=C1C=CC(=O)O1 Amb20246531 [1,0,0,1,0,0|0,0,0]=2 1415 B7R1.2 O=C1C=CC(=O)O1 Amb6297783 [1,0,0,1,0,0|0,0,0]=2 1416 B7R1.2 O=C1C=CC(Br)O1 Amb22001603 [1,0,0,1,0,0|1,0,1]=4 1417 B7R1.2 O=C1C=CC(Cl)O1 Amb27760027 [1,0,0,1,0,0|1,0,1]=4 1418 B7R1.2 O=C1C=CC(F)O1 Amb27778280 [1,0,0,1,0,0|1,0,1]=4 1419 B7R1.2 O=C1C=CC(O)=N1 Amb22552540 [1,0,0,1,0,0|1,0,0]=3 1420 B7R1.2 O=C1C=CC(O)C1 Amb9782767 [1,0,0,1,0,0|1,0,1]=4 1421 B7R1.2 O=C1C=CC(O)N1 Amb27978638 [1,0,0,1,0,0|1,0,1]=4 1422 B7R1.2 O=C1C=CC(O)O1 Amb24544763 [1,0,0,1,0,0|0,0,1]=3 1423 B7R1.2 O=C1C=C[C@@H](O)C1 Amb27256512 [1,0,0,1,0,0|1,0,1]=4 1424 B7R1.2 O=C1C=C[C@H](O)C1 Amb2694980 [1,0,0,1,0,0|1,0,1]=4 1425 B7R1.2 O=C1CCC(=O)O1 Amb2793017 [1,0,0,1,0,0|0,0,2]=4 1426 B7R1.2 O=C1CNC(=O)O1 Amb2695392 [1,0,0,1,0,0|1,0,1]=4 1427 B7R1.2 O=C1COC(=O)O1 Amb27837383 [1,0,0,1,0,0|1,0,1]=4 1428 B7R1.2 Oc1ccc(Br)o1 Amb18199811 [1,0,0,1,0,0|1,0,0]=3 1429 B7R1.2 Oc1ccc(Br)s1 Amb18055072 [1,0,0,1,0,0|1,1,0]=4 1430 B7R1.2 Oc1ccc(Cl)o1 Amb25723971 [1,0,0,1,0,0|1,0,0]=3 1431 B7R1.2 Oc1ccc(Cl)s1 Amb18055065 [1,0,0,1,0,0|1,1,0]=4 1432 B7R1.2 Oc1ccc(I)o1 Amb25888416 [1,0,0,1,0,0|1,0,0]=3 1433 B7R1.2 Oc1csc(O)n1 Amb10599939 [1,0,0,1,0,0|2,0,0]=4 1434 B7R1.2 [2H]c1ccc(Br)o1 Amb10597228 [1,0,0,1,0,0|2,0,0]=4 1435 B7R1.2 [2H]c1ccc(N)o1 Amb10597230 [1,0,0,1,0,0|2,0,0]=4 1436 B7R1.3 NC1=CC=CCO1 Amb22167473 [1,0,0,1,0,0|2,0,0]=4 1437 B7R1.3 O=C1C=CC=CN1 Amb18039970 [1,0,0,1,0,0|2,0,0]=4 1438 B7R1.3 O=C1C=CC=CO1 Amb21951679 [1,0,0,1,0,0|1,0,0]=3 1439 B7R1.3 O=C1C=CC=NN1 Amb19372847 [1,0,0,1,0,0|2,0,0]=4 1440 B7R1.3 O=C1C=CCCO1 Amb15693457 [1,0,0,1,0,0|1,0,1]=4 1441 B7R1.3 O=C1C=CCOC1 Amb22234519 [1,0,0,1,0,0|1,0,1]=4 1442 B7R1.3 Oc1ccccc1 Amb2793000 [1,0,0,1,0,0|2,0,0]=4 1443 B7R1.3 Oc1ccccc1 Amb34916329 [1,0,0,1,0,0|2,0,0]=4 1444 B7R1.3 Oc1ccccn1 Amb2609925 [1,0,0,1,0,0|2,0,0]=4 1445 B7R1.3 Oc1ccccn1 Amb33716976 [1,0,0,1,0,0|2,0,0]=4 1446 B7R1.3 Oc1cccnc1 Amb534212 [1,0,0,1,0,0|2,0,0]=4 1447 B7R1.3 Oc1cccnn1 Amb2610009 [1,0,0,1,0,0|2,0,0]=4 1448 B7R1.5 O=C\C=C1/C=C1Cl Amb27204758 [1,0,0,1,0,0|2,0,0]=4 1449 B7R1.12 CC1=CC1C(=O)O Amb27157805 [1,0,0,1,0,0|1,0,1]=4 1450 B7R1.18 O=C(O)C1=CCC1 Amb17593068 [1,0,0,1,0,0|1,0,1]=4 1451 B7R1.20 O=C(O)C=C1CC1 Amb8392543 [1,0,0,1,0,0|1,0,1]=4 1452 B9R1.35 CC(=O)C1=CCC(=S)O1 Amb27261937 [0,0,0,1,0,1|1,1,0]=4 1453 B9R1.35 CC(=O)N1C=CC(=O)N1 Amb24481715 [0,0,0,1,0,1|2,0,0]=4 1454 B9R1.35 CC(=O)c1ccc(Br)o1 Amb18678443 [0,0,0,1,0,1|2,0,0]=4 1455 B9R1.35 CC(=O)c1ccc(C)o1 Amb1154368 [0,0,0,1,0,1|2,0,0]=4 1456 B9R1.35 CC(=O)c1ccc(N)o1 Amb18642262 [0,0,0,1,0,1|2,0,0]=4 1457 B9R1.35 CC(=O)c1ccc(O)s1 Amb34135974 [0,0,0,1,0,1|1,1,0]=4 1458 B9R1.35 CC(=O)c1cnc(Br)o1 Amb26391439 [0,0,0,1,0,1|2,0,0]=4 1459 B9R1.35 CC(=O)c1cnc(C)o1 Amb23437343 [0,0,0,1,0,1|2,0,0]=4 1460 B9R1.35 CC(=O)c1cnc(Cl)o1 Amb27246755 [0,0,0,1,0,1|2,0,0]=4 1461 B9R1.35 CC(=O)c1cnc(N)o1 Amb17231842 [0,0,0,1,0,1|2,0,0]=4 1462 B9R1.35 CC(=O)c1cnc(O)s1 Amb27838546 [0,0,0,1,0,1|1,1,0]=4 1463 B9R1.35 CC(=O)c1ncc(C)o1 Amb18832862 [0,0,0,1,0,1|2,0,0]=4 1464 B9R1.35 CC(C)=C1N=CC(=O)O1 Amb27843713 [0,0,0,1,0,1|2,0,0]=4 1465 B9R1.35 CC(O)[C@H]1C=CC(=O)O1 Amb27632756 [0,0,0,1,0,1|1,0,1]=4 1466 B9R1.35 CC1C=CC(C(=O)O)O1 Amb18642586 [0,0,0,1,0,1|1,0,1]=4 1467 B9R1.35 C[C@H](O)[C@@H]1C=CC(=O)O1 Amb27213832 [0,0,0,1,0,1|1,0,1]=4 1468 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 Amb28435793 [0,0,0,1,0,1|1,0,1]=4 1469 B9R1.35 Cc1cc(C(=O)O)co1 Amb16231454 [0,0,0,1,0,1|2,0,0]=4 1470 B9R1.35 Cc1cc(C(=O)O)cs1 Amb6335894 [0,0,0,1,0,1|2,0,0]=4 1471 B9R1.35 Cc1ccc(C(=O)Cl)o1 Amb2689440 [0,0,0,1,0,1|2,0,0]=4 1472 B9R1.35 Cc1ccc(C(=O)O)o1 Amb6318544 [0,0,0,1,0,1|1,0,0]=3 1473 B9R1.35 Cc1ccc(C(=O)O)s1 Amb1157149 [0,0,0,1,0,1|1,1,0]=4 1474 B9R1.35 Cc1ccc(C(N)=O)o1 Amb3359879 [0,0,0,1,0,1|2,0,0]=4 1475 B9R1.35 Cc1cnc(C(=O)O)o1 Amb18832708 [0,0,0,1,0,1|1,0,0]=3 1476 B9R1.35 Cc1cnc(C(=O)O)s1 Amb8010646 [0,0,0,1,0,1|1,1,0]=4 1477 B9R1.35 Cc1cnc(C(=O)[O-])o1 Amb24183598 [0,0,0,1,0,1|1,0,1]=4 1478 B9R1.35 Cc1cnc(C(=O)[O-])o1 Amb32653595 [0,0,0,1,0,1|1,0,1]=4 1479 B9R1.35 Cc1cnc(C(=O)[O-])o1 Amb33713544 [0,0,0,1,0,1|1,0,1]=4 1480 B9R1.35 Cc1coc(C(=O)O)c1 Amb18642368 [0,0,0,1,0,1|2,0,0]=4 1481 B9R1.35 Cc1coc(C(=O)O)n1 Amb18832706 [0,0,0,1,0,1|2,0,0]=4 1482 B9R1.35 Cc1csc(C(=O)O)c1 Amb2691600 [0,0,0,1,0,1|2,0,0]=4 1483 B9R1.35 Cc1csc(C(=O)O)n1 Amb5759010 [0,0,0,1,0,1|2,0,0]=4 1484 B9R1.35 Cc1nc(C(=O)O)co1 Amb6307241 [0,0,0,1,0,1|2,0,0]=4 1485 B9R1.35 Cc1nc(C(=O)O)cs1 Amb22587710 [0,0,0,1,0,1|2,0,0]=4 1486 B9R1.35 Cc1nc(C(=O)O)cs1 Amb2723085 [0,0,0,1,0,1|2,0,0]=4 1487 B9R1.35 Cc1nc(C(=O)O)cs1 Amb33446967 [0,0,0,1,0,1|2,0,0]=4 1488 B9R1.35 Cc1ncc(C(=O)O)o1 Amb17399815 [0,0,0,1,0,1|1,0,0]=3 1489 B9R1.35 Cc1ncc(C(=O)O)s1 Amb8630402 [0,0,0,1,0,1|1,1,0]=4 1490 B9R1.35 Cc1nnc(C(=O)O)o1 Amb3941251 [0,0,0,1,0,1|2,0,0]=4 1491 B9R1.35 NC(=O)C1=CNC(=O)C1 Amb27638843 [0,0,0,1,0,1|2,0,0]=4 1492 B9R1.35 NC(=O)c1cc(O)cs1 Amb26512603 [0,0,0,1,0,1|2,0,0]=4 1493 B9R1.35 NC(=O)c1ccc(Br)o1 Amb8335806 [0,0,0,1,0,1|2,0,0]=4 1494 B9R1.35 NC(=O)c1ccc(Cl)o1 Amb27203205 [0,0,0,1,0,1|2,0,0]=4 1495 B9R1.35 NC(=O)c1ccc(I)o1 Amb780127 [0,0,0,1,0,1|2,0,0]=4 1496 B9R1.35 NC(=O)c1cnc(N)o1 Amb23400984 [0,0,0,1,0,1|2,0,0]=4 1497 B9R1.35 Nc1cc(C(=O)O)co1 Amb27771371 [0,0,0,1,0,1|2,0,0]=4 1498 B9R1.35 Nc1cc(C(=O)O)cs1 Amb18280928 [0,0,0,1,0,1|2,0,0]=4 1499 B9R1.35 Nc1cc(C(=O)O)cs1 Amb32658032 [0,0,0,1,0,1|2,0,0]=4 1500 B9R1.35 Nc1ccc(C(=O)O)o1 Amb18946756 [0,0,0,1,0,1|1,0,0]=3 1501 B9R1.35 Nc1ccc(C(=O)O)s1 Amb18831593 [0,0,0,1,0,1|1,1,0]=4 1502 B9R1.35 Nc1cnc(C(=O)O)s1 Amb22235290 [0,0,0,1,0,1|1,1,0]=4 1503 B9R1.35 Nc1cnc(C(=O)O)s1 Amb22899439 [0,0,0,1,0,1|1,1,0]=4 1504 B9R1.35 Nc1csc(C(=O)O)c1 Amb10602581 [0,0,0,1,0,1|2,0,0]=4 1505 B9R1.35 Nc1csc(C(=O)O)c1 Amb18124637 [0,0,0,1,0,1|2,0,0]=4 1506 B9R1.35 Nc1csc(C(=O)O)n1 Amb25978066 [0,0,0,1,0,1|2,0,0]=4 1507 B9R1.35 Nc1nc(C(=O)O)co1 Amb10879778 [0,0,0,1,0,1|2,0,0]=4 1508 B9R1.35 Nc1nc(C(=O)O)cs1 Amb10067797 [0,0,0,1,0,1|2,0,0]=4 1509 B9R1.35 Nc1nc(C(=O)O)cs1 Amb33528356 [0,0,0,1,0,1|2,0,0]=4 1510 B9R1.35 Nc1ncc(C(=O)O)o1 Amb19959202 [0,0,0,1,0,1|1,0,0]=3 1511 B9R1.35 Nc1ncc(C(=O)O)s1 Amb7172637 [0,0,0,1,0,1|1,1,0]=4 1512 B9R1.35 Nc1nnc(C(=O)O)o1 Amb18832581 [0,0,0,1,0,1|2,0,0]=4 1513 B9R1.35 O=C(Br)c1ccc(Br)o1 Amb17939056 [0,0,0,1,0,1|2,0,0]=4 1514 B9R1.35 O=C(Cl)c1ccc(Br)o1 Amb2685261 [0,0,0,1,0,1|2,0,0]=4 1515 B9R1.35 O=C(Cl)c1ccc(Cl)o1 Amb27953619 [0,0,0,1,0,1|2,0,0]=4 1516 B9R1.35 O=C(Cl)c1ccc(F)o1 Amb28196417 [0,0,0,1,0,1|2,0,0]=4 1517 B9R1.35 O=C(Cl)c1ccc(I)o1 Amb27438212 [0,0,0,1,0,1|2,0,0]=4 1518 B9R1.35 O=C(Cl)c1cnc(Cl)o1 Amb26424767 [0,0,0,1,0,1|2,0,0]=4 1519 B9R1.35 O=C(F)c1ccc(Br)o1 Amb28254044 [0,0,0,1,0,1|2,0,0]=4 1520 B9R1.35 O=C(O)C1=CNC(=S)N1 Amb22586764 [0,0,0,1,0,1|1,1,0]=4 1521 B9R1.35 O=C(O)c1cc(Br)co1 Amb18129829 [0,0,0,1,0,1|2,0,0]=4 1522 B9R1.35 O=C(O)c1cc(Br)cs1 Amb1935172 [0,0,0,1,0,1|2,0,0]=4 1523 B9R1.35 O=C(O)c1cc(Cl)co1 Amb18644297 [0,0,0,1,0,1|2,0,0]=4 1524 B9R1.35 O=C(O)c1cc(Cl)cs1 Amb16185757 [0,0,0,1,0,1|2,0,0]=4 1525 B9R1.35 O=C(O)c1cc(F)co1 Amb28141604 [0,0,0,1,0,1|2,0,0]=4 1526 B9R1.35 O=C(O)c1cc(F)cs1 Amb10602731 [0,0,0,1,0,1|2,0,0]=4 1527 B9R1.35 O=C(O)c1cc(O)co1 Amb27494194 [0,0,0,1,0,1|1,0,0]=3 1528 B9R1.35 O=C(O)c1cc(O)cs1 Amb5720296 [0,0,0,1,0,1|1,0,0]=3 1529 B9R1.35 O=C(O)c1cc(O)no1 Amb9173684 [0,0,0,1,0,1|2,0,0]=4 1530 B9R1.35 O=C(O)c1cc(O)ns1 Amb24579600 [0,0,0,1,0,1|2,0,0]=4 1531 B9R1.35 O=C(O)c1ccc(Br)o1 Amb6335213 [0,0,0,1,0,1|1,0,0]=3 1532 B9R1.35 O=C(O)c1ccc(Br)s1 Amb6341887 [0,0,0,1,0,1|1,1,0]=4 1533 B9R1.35 O=C(O)c1ccc(Cl)o1 Amb1107530 [0,0,0,1,0,1|1,0,0]=3 1534 B9R1.35 O=C(O)c1ccc(Cl)s1 Amb1152956 [0,0,0,1,0,1|1,1,0]=4 1535 B9R1.35 O=C(O)c1ccc(F)o1 Amb23538033 [0,0,0,1,0,1|1,0,0]=3 1536 B9R1.35 O=C(O)c1ccc(F)s1 Amb33542618 [0,0,0,1,0,1|1,1,0]=4 1537 B9R1.35 O=C(O)c1ccc(I)o1 Amb2459665 [0,0,0,1,0,1|1,0,0]=3 1538 B9R1.35 O=C(O)c1ccc(I)s1 Amb22002319 [0,0,0,1,0,1|1,1,0]=4 1539 B9R1.35 O=C(O)c1cnc(Br)o1 Amb22432570 [0,0,0,1,0,1|1,0,0]=3 1540 B9R1.35 O=C(O)c1cnc(Br)s1 Amb6600495 [0,0,0,1,0,1|1,1,0]=4 1541 B9R1.35 O=C(O)c1cnc(Cl)o1 Amb26652765 [0,0,0,1,0,1|1,0,0]=3 1542 B9R1.35 O=C(O)c1cnc(Cl)s1 Amb2432444 [0,0,0,1,0,1|1,1,0]=4 1543 B9R1.35 O=C(O)c1cnc(F)s1 Amb24329329 [0,0,0,1,0,1|1,1,0]=4 1544 B9R1.35 O=C(O)c1cnc(O)o1 Amb25178101 [0,0,0,1,0,1|0,0,1]=3 1545 B9R1.35 O=C(O)c1cnc(S)s1 Amb27401807 [0,0,0,1,0,1|0,2,0]=4 1546 B9R1.35 O=C(O)c1coc(Br)c1 Amb1111481 [0,0,0,1,0,1|2,0,0]=4 1547 B9R1.35 O=C(O)c1coc(Br)n1 Amb21857043 [0,0,0,1,0,1|2,0,0]=4 1548 B9R1.35 O=C(O)c1coc(Cl)c1 Amb22284566 [0,0,0,1,0,1|2,0,0]=4 1549 B9R1.35 O=C(O)c1coc(Cl)n1 Amb16232458 [0,0,0,1,0,1|2,0,0]=4 1550 B9R1.35 O=C(O)c1coc(F)c1 Amb27847282 [0,0,0,1,0,1|2,0,0]=4 1551 B9R1.35 O=C(O)c1coc(F)n1 Amb22756381 [0,0,0,1,0,1|2,0,0]=4 1552 B9R1.35 O=C(O)c1coc(I)c1 Amb13952880 [0,0,0,1,0,1|2,0,0]=4 1553 B9R1.35 O=C(O)c1coc(I)n1 Amb22000930 [0,0,0,1,0,1|2,0,0]=4 1554 B9R1.35 O=C(O)c1coc(O)n1 Amb24481698 [0,0,0,1,0,1|1,0,0]=3 1555 B9R1.35 O=C(O)c1coc(S)n1 Amb27212072 [0,0,0,1,0,1|1,1,0]=4 1556 B9R1.35 O=C(O)c1csc(Br)c1 Amb2372549 [0,0,0,1,0,1|2,0,0]=4 1557 B9R1.35 O=C(O)c1csc(Br)n1 Amb2455706 [0,0,0,1,0,1|2,0,0]=4 1558 B9R1.35 O=C(O)c1csc(Br)n1 Amb32665794 [0,0,0,1,0,1|2,0,0]=4 1559 B9R1.35 O=C(O)c1csc(Cl)c1 Amb2611689 [0,0,0,1,0,1|2,0,0]=4 1560 B9R1.35 O=C(O)c1csc(Cl)n1 Amb8630269 [0,0,0,1,0,1|2,0,0]=4 1561 B9R1.35 O=C(O)c1csc(F)c1 Amb2611691 [0,0,0,1,0,1|2,0,0]=4 1562 B9R1.35 O=C(O)c1csc(F)n1 Amb25147077 [0,0,0,1,0,1|2,0,0]=4 1563 B9R1.35 O=C(O)c1csc(I)c1 Amb13952879 [0,0,0,1,0,1|2,0,0]=4 1564 B9R1.35 O=C(O)c1csc(I)n1 Amb8630396 [0,0,0,1,0,1|2,0,0]=4 1565 B9R1.35 O=C(O)c1csc(O)c1 Amb26638056 [0,0,0,1,0,1|1,0,0]=3 1566 B9R1.35 O=C(O)c1csc(O)n1 Amb27142660 [0,0,0,1,0,1|1,0,0]=3 1567 B9R1.35 O=C(O)c1csc(S)n1 Amb24480164 [0,0,0,1,0,1|1,1,0]=4 1568 B9R1.35 O=C(O)c1nc(Br)co1 Amb22754333 [0,0,0,1,0,1|2,0,0]=4 1569 B9R1.35 O=C(O)c1nc(Br)cs1 Amb13883510 [0,0,0,1,0,1|2,0,0]=4 1570 B9R1.35 O=C(O)c1nc(Cl)cs1 Amb26941525 [0,0,0,1,0,1|2,0,0]=4 1571 B9R1.35 O=C(O)c1nc(F)cs1 Amb27629831 [0,0,0,1,0,1|2,0,0]=4 1572 B9R1.35 O=C(O)c1nc(O)cs1 Amb35710163 [0,0,0,1,0,1|1,0,0]=3 1573 B9R1.35 O=C(O)c1ncc(Br)s1 Amb10606388 [0,0,0,1,0,1|1,1,0]=4 1574 B9R1.35 O=C(O)c1ncc(Cl)s1 Amb33543981 [0,0,0,1,0,1|1,1,0]=4 1575 B9R1.35 O=C(O)c1ncc(I)s1 Amb27866039 [0,0,0,1,0,1|1,1,0]=4 1576 B9R1.35 O=C(O)c1nnc(Br)o1 Amb18190404 [0,0,0,1,0,1|2,0,0]=4 1577 B9R1.35 O=C(O)c1noc(O)n1 Amb26962564 [0,0,0,1,0,1|2,0,0]=4 1578 B9R1.35 O=C1C=C(C(=O)O)CC1 Amb13883804 [0,0,0,1,0,1|1,0,1]=4 1579 B9R1.35 O=C1C=C(C(=O)O)NN1 Amb18944048 [0,0,0,1,0,1|2,0,0]=4 1580 B9R1.35 O=C1C=C(C(=O)O)ON1 Amb19889163 [0,0,0,1,0,1|2,0,0]=4 1581 B9R1.35 O=C1C=CC(=C(Cl)Cl)O1 Amb27237262 [0,0,0,1,0,1|2,0,0]=4 1582 B9R1.35 O=C1C=CC(C(=O)O)C1 Amb26002884 [0,0,0,1,0,1|1,0,0]=3 1583 B9R1.35 O=C1C=CC(C(=O)O)N1 Amb27775192 [0,0,0,1,0,1|1,0,0]=3 1584 B9R1.35 O=C1CC(C(=O)O)=CN1 Amb18832707 [0,0,0,1,0,1|1,0,0]=3 1585 B9R1.35 O=C1CC(C(=O)O)=CO1 Amb3499387 [0,0,0,1,0,1|1,0,0]=3 1586 B9R1.35 O=C1CC(C(=O)O)=NN1 Amb18278720 [0,0,0,1,0,1|2,0,0]=4 1587 B9R1.35 O=C1CCC(C(=O)O)O1 Amb20623076 [0,0,0,1,0,1|0,0,2]=4 1588 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 Amb2722887 [0,0,0,1,0,1|0,0,2]=4 1589 B9R1.35 O=C1CC[C@H](C(=O)O)O1 Amb2720513 [0,0,0,1,0,1|0,0,2]=4 1590 B9R1.35 O=C1CN=C(C(=O)O)N1 Amb24387402 [0,0,0,1,0,1|1,0,1]=4 1591 B9R1.35 O=C1CSC(C(=O)O)=N1 Amb27211941 [0,0,0,1,0,1|1,0,1]=4 1592 B9R1.35 O=C1CSC(C(=O)O)O1 Amb25063335 [0,0,0,1,0,1|0,0,2]=4 1593 B9R1.35 O=C1N=C(C(=O)O)NN1 Amb18944041 [0,0,0,1,0,1|2,0,0]=4 1594 B9R1.35 O=C1NC=C(C(=O)O)N1 Amb18278248 [0,0,0,1,0,1|1,0,0]=3 1595 B9R1.35 O=C1NC=C(C(=O)O)S1 Amb33531086 [0,0,0,1,0,1|0,1,0]=3 1596 B9R1.35 O=C1NCC(C(=O)O)O1 Amb24112958 [0,0,0,1,0,1|0,0,2]=4 1597 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 Amb25146207 [0,0,0,1,0,1|0,0,2]=4 1598 B9R1.35 O=C1NC[C@H](C(=O)O)O1 Amb27771494 [0,0,0,1,0,1|0,0,2]=4 1599 B9R1.35 O=C1NN=C(C(=O)O)N1 Amb19205315 [0,0,0,1,0,1|2,0,0]=4 1600 B9R1.35 O=C1NN=C(C(=O)O)N1 Amb21955579 [0,0,0,1,0,1|2,0,0]=4 1601 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [0,0,0,1,0,1|0,0,2]=4 1602 B9R1.35 OC(=S)c1ccc(Br)o1 Amb27186020 [0,0,0,1,0,1|1,1,0]=4 1603 B9R1.35 [NH3+]c1nc(C(=O)O)cs1 Amb2694742 [0,0,0,1,0,1|2,0,0]=4 1604 B9R1.46 C[C@@H]1O[C@H]1\C=C\C(=O)O Amb27191995 [0,0,0,1,0,1|1,0,1]=4 1605 B9R1.46 C[C@H]1O[C@H]1\C=C\C(=O)O Amb27614487 [0,0,0,1,0,1|1,0,1]=4 1606 B9R1.49 O=C1C=CC=C(O)C=C1 Amb18048395 [0,0,0,1,0,1|2,0,0]=4 1607 B9R1.66 O=C1NC=CP(=O)(O)N1 Amb28070597 [0,0,0,1,0,1|2,0,0]=4 1608 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [0,0,0,1,0,1|0,0,2]=4 1609 B9R1.161 O=C(O)C1OC1C(=O)O Amb4001391 [0,0,0,1,0,1|0,0,2]=4 1610 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [0,0,0,1,0,1|0,0,2]=4 1611 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O Amb22799776 [0,0,0,1,0,1|0,0,2]=4 1612 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [0,0,0,1,0,1|0,0,2]=4 1613 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [0,0,0,1,0,1|0,0,2]=4 1614 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O Amb22262951 [0,0,0,1,0,1|0,0,2]=4 1615 B9R1.1 COc1ccc(O)cc1 Amb2725498 [0,1,0,1,0,0|2,0,0]=4 1616 B9R1.1 COc1ccc(O)cn1 Amb2696900 [0,1,0,1,0,0|2,0,0]=4 1617 B9R1.1 COc1ccc(O)nc1 Amb18642264 [0,1,0,1,0,0|2,0,0]=4 1618 B9R1.1 COc1ccc(O)nn1 Amb21984418 [0,1,0,1,0,0|2,0,0]=4 1619 B9R1.1 N#CC1=COC(=O)C=C1 Amb22304830 [0,1,0,1,0,0|2,0,0]=4 1620 B9R1.1 O=C1C=CC(=NO)C=C1 Amb17608819 [0,1,0,1,0,0|2,0,0]=4 1621 B9R1.1 O=C1C=CC(CO)=CN1 Amb20243253 [0,1,0,1,0,0|2,0,0]=4 1622 B9R1.1 O=C1C=CC(CO)=CO1 Amb25835811 [0,1,0,1,0,0|1,0,0]=3 1623 B9R1.1 O=C1C=CC(CO)=NN1 Amb18848567 [0,1,0,1,0,0|2,0,0]=4 1624 B9R1.1 O=CC1=CNC(=O)C=C1 Amb18642085 [0,1,0,1,0,0|2,0,0]=4 1625 B9R1.1 O=CC1=NNC(=O)C=C1 Amb18848569 [0,1,0,1,0,0|2,0,0]=4 1626 B9R1.1 O=Cc1ccc(O)cc1 Amb1873769 [0,1,0,1,0,0|2,0,0]=4 1627 B9R1.1 O=Cc1ccc(O)cn1 Amb4561049 [0,1,0,1,0,0|2,0,0]=4 1628 B9R1.1 O=Cc1ccc(O)nc1 Amb6384363 [0,1,0,1,0,0|2,0,0]=4 1629 B9R1.1 O=Nc1ccc(O)cc1 Amb10071749 [0,1,0,1,0,0|2,0,0]=4 1630 B9R1.1 OCc1ccc(O)cc1 Amb6365572 [0,1,0,1,0,0|2,0,0]=4 1631 B9R1.1 OCc1ccc(O)cn1 Amb18642263 [0,1,0,1,0,0|2,0,0]=4 1632 B9R1.1 OCc1ccc(O)nc1 Amb8397234 [0,1,0,1,0,0|2,0,0]=4 1633 B9R1.69 CC1=CC(=O)C(O)=CO1 Amb19130353 [0,1,0,1,0,0|2,0,0]=4 1634 B9R1.69 CC1=CC(=O)C=CC1=O Amb6386415 [0,1,0,1,0,0|2,0,0]=4 1635 B9R1.69 CC1=CC(=O)CCC1=O Amb28455194 [0,1,0,1,0,0|2,0,0]=4 1636 B9R1.69 CC1=CC(=O)NNC1=O Amb19657930 [0,1,0,1,0,0|2,0,0]=4 1637 B9R1.69 CC1=CC(=O)OCC1O Amb28457807 [0,1,0,1,0,0|1,0,1]=4 1638 B9R1.69 CC1=CC=C(N)C(=O)O1 Amb28399466 [0,1,0,1,0,0|2,0,0]=4 1639 B9R1.69 CC1=CC=C(O)C(=O)N1 Amb24725980 [0,1,0,1,0,0|2,0,0]=4 1640 B9R1.69 CC1=CNC(=O)OC1=O Amb28208149 [0,1,0,1,0,0|2,0,0]=4 1641 B9R1.69 CC1CC(=O)C=CC1=O Amb27750328 [0,1,0,1,0,0|2,0,0]=4 1642 B9R1.69 CC1OC(=O)C=CC1=O Amb27948593 [0,1,0,1,0,0|1,0,0]=3 1643 B9R1.69 CN1C=C(O)C=CC1=O Amb22371453 [0,1,0,1,0,0|2,0,0]=4 1644 B9R1.69 CN1N=C(O)C=CC1=O Amb19650751 [0,1,0,1,0,0|2,0,0]=4 1645 B9R1.69 C[C@H]1OC(=O)C=CC1=O Amb28351021 [0,1,0,1,0,0|1,0,0]=3 1646 B9R1.69 Cc1cc(O)ccc1O Amb4037056 [0,1,0,1,0,0|2,0,0]=4 1647 B9R1.69 Cc1cc(O)cnc1O Amb23442962 [0,1,0,1,0,0|2,0,0]=4 1648 B9R1.69 Cc1cc(O)ncc1O Amb20247804 [0,1,0,1,0,0|2,0,0]=4 1649 B9R1.69 Cc1cc(O)nnc1O Amb2610026 [0,1,0,1,0,0|2,0,0]=4 1650 B9R1.69 Cc1ccc(O)cc1O Amb9871491 [0,1,0,1,0,0|2,0,0]=4 1651 B9R1.69 Cc1nc(O)ccc1O Amb23555592 [0,1,0,1,0,0|2,0,0]=4 1652 B9R1.69 NC1=CC(=O)C=CC1=O Amb25727299 [0,1,0,1,0,0|2,0,0]=4 1653 B9R1.69 Nc1ccc(O)cc1O Amb18553675 [0,1,0,1,0,0|2,0,0]=4 1654 B9R1.69 Nc1ccc(O)cc1O Amb21858039 [0,1,0,1,0,0|2,0,0]=4 1655 B9R1.69 Nc1ccc(O)nc1O Amb27404408 [0,1,0,1,0,0|2,0,0]=4 1656 B9R1.69 O=C1C=C(Br)C(=O)NN1 Amb22371447 [0,1,0,1,0,0|2,0,0]=4 1657 B9R1.69 O=C1C=C(Br)C(O)=NN1 Amb19957695 [0,1,0,1,0,0|2,0,0]=4 1658 B9R1.69 O=C1C=C(Cl)C(=O)NN1 Amb20239453 [0,1,0,1,0,0|2,0,0]=4 1659 B9R1.69 O=C1C=C(O)C(O)=CN1 Amb28368588 [0,1,0,1,0,0|2,0,0]=4 1660 B9R1.69 O=C1C=CC(=O)C(Br)=C1 Amb6297942 [0,1,0,1,0,0|2,0,0]=4 1661 B9R1.69 O=C1C=CC(=O)C(Cl)=C1 Amb8515758 [0,1,0,1,0,0|2,0,0]=4 1662 B9R1.69 O=C1C=CC(=O)C(F)=C1 Amb10841415 [0,1,0,1,0,0|2,0,0]=4 1663 B9R1.69 O=C1C=CC(=O)C(O)=C1 Amb17593265 [0,1,0,1,0,0|1,0,0]=3 1664 B9R1.69 O=C1C=CC(=O)C(O)C1 Amb27191875 [0,1,0,1,0,0|1,0,0]=3 1665 B9R1.69 O=C1C=CC(=O)N(O)C1 Amb27227026 [0,1,0,1,0,0|1,0,0]=3 1666 B9R1.69 O=C1C=CC(Br)=CN1O Amb27964231 [0,1,0,1,0,0|2,0,0]=4 1667 B9R1.69 O=C1NC(Cl)=CC=C1O Amb26532144 [0,1,0,1,0,0|2,0,0]=4 1668 B9R1.69 O=C1NC=C(O)C(=O)N1 Amb19517092 [0,1,0,1,0,0|2,0,0]=4 1669 B9R1.69 O=c1occ(Br)cc1Br Amb10067372 [0,1,0,1,0,0|2,0,0]=4 1670 B9R1.69 Oc1cc(Br)c(O)nn1 Amb2634019 [0,1,0,1,0,0|2,0,0]=4 1671 B9R1.69 Oc1cc(Cl)c(O)cn1 Amb25121321 [0,1,0,1,0,0|2,0,0]=4 1672 B9R1.69 Oc1ccc(Br)c(O)c1 Amb3939307 [0,1,0,1,0,0|2,0,0]=4 1673 B9R1.69 Oc1ccc(Cl)c(O)c1 Amb3941632 [0,1,0,1,0,0|2,0,0]=4 1674 B9R1.69 Oc1ccc(F)c(O)c1 Amb16185891 [0,1,0,1,0,0|2,0,0]=4 1675 B9R1.69 Oc1ccc(O)c(Cl)c1 Amb6297198 [0,1,0,1,0,0|2,0,0]=4 1676 B9R1.69 Oc1ccc(O)c(Cl)n1 Amb25147070 [0,1,0,1,0,0|2,0,0]=4 1677 B9R1.69 Oc1ccc(O)c(F)c1 Amb20240579 [0,1,0,1,0,0|2,0,0]=4 1678 B9R1.69 Oc1ccc(O)c(F)n1 Amb25984913 [0,1,0,1,0,0|2,0,0]=4 1679 B9R1.69 Oc1ccc(O)c(O)c1 Amb6296031 [0,1,0,1,0,0|1,0,1]=4 1680 B9R1.69 Oc1ccc(O)c(S)c1 Amb10070964 [0,1,0,1,0,0|1,1,0]=4 1681 B9R1.69 Oc1ccc(S)c(O)c1 Amb18643824 [0,1,0,1,0,0|1,1,0]=4 1682 B9R1.69 Oc1cnc(O)c(Cl)c1 Amb27862096 [0,1,0,1,0,0|2,0,0]=4 1683 B9R1.69 Oc1cnc(O)c(F)c1 Amb25873249 [0,1,0,1,0,0|2,0,0]=4 1684 B9R1.125 O=C1C=CC(O)(CCl)O1 Amb27589361 [0,1,0,1,0,0|1,0,1]=4 1685 B5R0.5 C=C(Br)C(=O)O Amb20620403 [0,0,0,0,2,0|2,0,0]=4 1686 B5R0.5 C=C(C)C(=O)O Amb6608998 [0,0,0,0,2,0|2,0,0]=4 1687 B5R0.5 C=C(Cl)C(=O)O Amb17933971 [0,0,0,0,2,0|2,0,0]=4 1688 B5R0.5 C=C(F)C(=O)O Amb2688008 [0,0,0,0,2,0|2,0,0]=4 1689 B5R0.5 CC(=O)C(=O)Cl Amb17593107 [0,0,0,0,2,0|2,0,0]=4 1690 B5R0.5 CC(=O)C(=O)O Amb932807 [0,0,0,0,2,0|1,0,0]=3 1691 B5R0.5 CC(=O)C(=O)[O-] Amb22043412 [0,0,0,0,2,0|1,0,1]=4 1692 B5R0.5 CC(=O)C(C)=O Amb6608675 [0,0,0,0,2,0|2,0,0]=4 1693 B5R0.5 CC(=O)C(N)=O Amb17593028 [0,0,0,0,2,0|2,0,0]=4 1694 B5R0.5 CC(=S)C(=O)O Amb27424126 [0,0,0,0,2,0|1,1,0]=4 1695 B5R0.5 CC(O)C(=O)O Amb9703100 [0,0,0,0,2,0|1,0,1]=4 1696 B5R0.5 C[C@@H](O)C(=O)O Amb6600026 [0,0,0,0,2,0|1,0,1]=4 1697 B5R0.5 C[C@H](O)C(=O)O Amb8386374 [0,0,0,0,2,0|1,0,1]=4 1698 B5R0.5 N=C(S)C(=O)O Amb18640468 [0,0,0,0,2,0|1,1,0]=4 1699 B5R0.5 NC(=O)C(=O)O Amb32666615 [0,0,0,0,2,0|1,0,0]=3 1700 B5R0.5 NC(=O)C(=O)O Amb3940455 [0,0,0,0,2,0|1,0,0]=3 1701 B5R0.5 NC(=O)C(=O)[O-] Amb22053860 [0,0,0,0,2,0|1,0,1]=4 1702 B5R0.5 NC(=O)C(=O)[O-] Amb22730546 [0,0,0,0,2,0|1,0,1]=4 1703 B5R0.5 NC(=O)C(N)=O Amb3886526 [0,0,0,0,2,0|2,0,0]=4 1704 B5R0.5 NC(O)C(=O)O Amb24663706 [0,0,0,0,2,0|1,0,1]=4 1705 B5R0.5 O=C(Br)C(=O)Br Amb8513454 [0,0,0,0,2,0|2,0,0]=4 1706 B5R0.5 O=C(Cl)C(=O)Cl Amb2793009 [0,0,0,0,2,0|2,0,0]=4 1707 B5R0.5 O=C(F)C(=O)F Amb10840380 [0,0,0,0,2,0|2,0,0]=4 1708 B5R0.5 O=C(O)C(=O)Br Amb27863598 [0,0,0,0,2,0|1,0,0]=3 1709 B5R0.5 O=C(O)C(=O)O Amb10608980 [0,0,0,0,2,0|0,0,0]=2 1710 B5R0.5 O=C(O)C(=O)O Amb19374136 [0,0,0,0,2,0|0,0,0]=2 1711 B5R0.5 O=C(O)C(=O)O Amb22231343 [0,0,0,0,2,0|0,0,0]=2 1712 B5R0.5 O=C(O)C(=O)O Amb22394874 [0,0,0,0,2,0|0,0,0]=2 1713 B5R0.5 O=C(O)C(=O)O Amb22436461 [0,0,0,0,2,0|0,0,0]=2 1714 B5R0.5 O=C(O)C(=O)O Amb7755827 [0,0,0,0,2,0|0,0,0]=2 1715 B5R0.5 O=C(O)C(=O)O Amb8513282 [0,0,0,0,2,0|0,0,0]=2 1716 B5R0.5 O=C(O)C(O)O Amb6608986 [0,0,0,0,2,0|0,0,2]=4 1717 B5R0.5 O=C([O-])C(=O)[O-] Amb17943075 [0,0,0,0,2,0|0,0,2]=4 1718 B5R0.5 O=C([O-])C(=O)[O-] Amb21963194 [0,0,0,0,2,0|0,0,2]=4 1719 B5R0.5 O=C([O-])C(=O)[O-] Amb22002099 [0,0,0,0,2,0|0,0,2]=4 1720 B5R0.5 O=C([O-])C(=O)[O-] Amb22045394 [0,0,0,0,2,0|0,0,2]=4 1721 B5R0.5 O=C([O-])C(=O)[O-] Amb22053543 [0,0,0,0,2,0|0,0,2]=4 1722 B5R0.5 O=C([O-])C(=O)[O-] Amb22053547 [0,0,0,0,2,0|0,0,2]=4 1723 B5R0.5 O=C([O-])C(=O)[O-] Amb8514326 [0,0,0,0,2,0|0,0,2]=4 1724 B5R0.5 O=C([O-])C(=O)[O-] Amb8514363 [0,0,0,0,2,0|0,0,2]=4 1725 B5R0.5 O=C([O-])C(=O)[O-] Amb8514364 [0,0,0,0,2,0|0,0,2]=4 1726 B5R0.5 O=C([S-])C(=O)[S-] Amb22730472 [0,0,0,0,2,0|0,2,0]=4 1727 B9R0.55 C=C(C)C#C\C=C/C(=O)O Amb27630707 [0,0,0,0,0,2|2,0,0]=4 1728 B9R0.55 C=C(C)CC\C=C\C(=O)O Amb27253611 [0,0,0,0,0,2|2,0,0]=4 1729 B9R0.55 C=C(C)CO\C=C\C(=O)O Amb18643826 [0,0,0,0,0,2|2,0,0]=4 1730 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,0,0,0,2|1,0,0]=3 1731 B9R0.55 CC(=O)NC\C=C\C(=O)O Amb27259093 [0,0,0,0,0,2|1,0,0]=3 1732 B9R0.55 CC(=O)N\C=C/CC(N)=O Amb27214099 [0,0,0,0,0,2|2,0,0]=4 1733 B9R0.55 CC(=O)N\C=C/NC(C)=O Amb27424993 [0,0,0,0,0,2|2,0,0]=4 1734 B9R0.55 CC(=O)N\C=C\NC(C)=O Amb27468649 [0,0,0,0,0,2|2,0,0]=4 1735 B9R0.55 CC(=O)OC\C=C\C(=O)O Amb24454652 [0,0,0,0,0,2|1,0,0]=3 1736 B9R0.55 CC(=O)\C=C/C=C/C(C)=O Amb25877456 [0,0,0,0,0,2|2,0,0]=4 1737 B9R0.55 CC(=O)\C=C\C=C\C(=O)O Amb27205327 [0,0,0,0,0,2|1,0,0]=3 1738 B9R0.55 CC(C)=C\C=C\CC(=O)O Amb27473342 [0,0,0,0,0,2|2,0,0]=4 1739 B9R0.55 CC(O)C#C\C=C\C(=O)O Amb27961415 [0,0,0,0,0,2|1,0,1]=4 1740 B9R0.55 CC(O)\C=C\CCC(=O)O Amb24453133 [0,0,0,0,0,2|1,0,1]=4 1741 B9R0.55 CS(=O)NC\C=C\C(=O)O Amb28195221 [0,0,0,0,0,2|2,0,0]=4 1742 B9R0.55 C\C(O)=C\C=C\C=C(/C)O Amb26446577 [0,0,0,0,0,2|2,0,0]=4 1743 B9R0.55 NC(=O)NC\C=C\C(=O)O Amb27817537 [0,0,0,0,0,2|1,0,0]=3 1744 B9R0.55 NC(=O)N\C=C\NC(N)=O Amb25174416 [0,0,0,0,0,2|2,0,0]=4 1745 B9R0.55 NC(=O)N\N=C\CC(=O)O Amb28366218 [0,0,0,0,0,2|1,0,1]=4 1746 B9R0.55 NC(=O)\C=C\C=C\C(=O)O Amb27251699 [0,0,0,0,0,2|1,0,0]=3 1747 B9R0.55 O=C(Cl)C\C=C\CC(=O)Cl Amb27641016 [0,0,0,0,0,2|2,0,0]=4 1748 B9R0.55 O=C(O)C#CCCC(=O)O Amb28050167 [0,0,0,0,0,2|0,0,2]=4 1749 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [0,0,0,0,0,2|0,0,2]=4 1750 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [0,0,0,0,0,2|0,0,2]=4 1751 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [0,0,0,0,0,2|0,0,2]=4 1752 B9R0.55 O=C(O)CCNCC(=O)O Amb18098292 [0,0,0,0,0,2|0,0,2]=4 1753 B9R0.55 O=C(O)CNNCC(=O)O Amb23438062 [0,0,0,0,0,2|0,0,2]=4 1754 B9R0.55 O=C(O)CSSCC(=O)O Amb8395267 [0,0,0,0,0,2|0,0,2]=4 1755 B9R0.55 O=C(O)C\C=C\CC(=O)O Amb4037278 [0,0,0,0,0,2|0,0,0]=2 1756 B9R0.55 O=C(O)C\N=N/CC(=O)O Amb28188728 [0,0,0,0,0,2|0,0,2]=4 1757 B9R0.55 O=C(O)C\N=N\CC(=O)O Amb27882019 [0,0,0,0,0,2|0,0,2]=4 1758 B9R0.55 O=C(O)\C=C/C=C\C(=O)O Amb8515202 [0,0,0,0,0,2|0,0,0]=2 1759 B9R0.55 O=C(O)\C=C\C=C\C(=O)O Amb31285477 [0,0,0,0,0,2|0,0,0]=2 1760 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [0,0,0,0,0,2|0,0,0]=2 1761 B9R0.55 O=C(O)\C=C\SCC(=O)O Amb18645625 [0,0,0,0,0,2|0,0,0]=2