0 B9R1.37 C=C1C(=O)C=C(C)C1=O Amb28285171 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.37 C=C1C(=O)CC(C)C1=O Amb28192131 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.37 C=C1C(=O)OC(C)C1O Amb28315459 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.37 C=C1CC(C)=C(C)C1=O Amb27878494 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.37 C=C1OC(C)=C(O)C1=O Amb24691734 [0,0,0,0,0,0|0,0,2]=2 5 B9R1.37 CC1=C(C)C(=N)N(C)N1 Amb22096754 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.37 CC1=C(C)C(=O)C(Br)C1 Amb28245233 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.37 CC1=C(C)C(C)=C(C)C1 Amb10604210 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.37 CC1=C(C)C(C)NC1=O Amb28285100 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.37 CC1=C(C)C(C)OC1=O Amb21926616 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.37 CC1=C(C)C(O)OC1=O Amb17778789 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.37 CC1=C(C)[C@H](C)N[C@H]1C Amb27818205 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.37 CC1=C(Cl)C(=O)OC1O Amb24401510 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.37 CC1=C(N)C(C)OC1=O Amb27174518 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.37 CC1=C(N)NN(C)C1=O Amb27459217 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.37 CC1=C(O)C(=O)C(Br)C1 Amb27768656 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.37 CC1=C(O)C(=O)C(C)O1 Amb8386150 [0,0,0,0,0,0|0,0,0]=0 17 B9R1.37 CC1=C(O)C(=O)CC1C Amb26593809 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.37 CC1=C(O)C(=O)CC1O Amb28315501 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.37 CC1=C(O)C(=O)OC1C Amb8393149 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.37 CC1=C(O)C(=O)[C@@H](C)O1 Amb27222092 [0,0,0,0,0,0|0,0,0]=0 21 B9R1.37 CC1=C(O)C(C)OC1=O Amb26075854 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.37 CC1=C(O)C(O)C(=O)O1 Amb25769590 [0,0,0,0,0,0|1,0,3]=4 23 B9R1.37 CC1=C(O)CC(O)C1=O Amb27948592 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.37 CC1=CN(C)C(=O)C1C Amb27609692 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.37 CC1=NN(C)C(=O)C1=N Amb27476472 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.37 CC1=NN(C)C(=O)C1C Amb10552702 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.37 CC1=NN(C)C(=O)N1C Amb29860115 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.37 CC1=N[SH](C)C(N)=C1N Amb27473385 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.37 CC1=[C-]C(C)C(C)=C1C Amb22231409 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.37 CC1CC(=O)C(C)C1=O Amb27838774 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.37 CC1CC(=O)C(O)=C1O Amb27153105 [0,0,0,0,0,0|2,0,1]=3 32 B9R1.37 CC1CC(C)C(=O)C1=O Amb22334650 [0,0,0,0,0,0|1,0,2]=3 33 B9R1.37 CC1CC(C)C(O)C1=O Amb27844251 [0,0,0,0,0,0|1,0,2]=3 34 B9R1.37 CC1NC(=O)C(C)C1=O Amb27252155 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.37 CC1NC(=O)N(C)C1=O Amb19517104 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.37 CC1NC(=S)N(C)C1=O Amb22732725 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.37 CC1OC(=O)C(=O)C1C Amb24360322 [0,0,0,0,0,0|2,0,2]=4 38 B9R1.37 CC1OC(=O)C(Br)C1=O Amb27401885 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.37 CC1OC(=O)C(N)=C1N Amb27185472 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.37 CC1OC(=O)C(O)C1=O Amb27222152 [0,0,0,0,0,0|1,0,1]=2 41 B9R1.37 CC1OC(=O)C(O)C1Br Amb27966842 [0,0,0,0,0,0|2,0,2]=4 42 B9R1.37 CC1OC(=O)C(O)C1I Amb27253078 [0,0,0,0,0,0|2,0,2]=4 43 B9R1.37 CC1OC(C)C(=O)C1=O Amb28381239 [0,0,0,0,0,0|0,0,2]=2 44 B9R1.37 CC1OC(C)C(O)C1C Amb28205963 [0,0,0,0,0,0|1,0,3]=4 45 B9R1.37 CC1OC(C)C(O)C1O Amb28049128 [0,0,0,0,0,0|0,0,4]=4 46 B9R1.37 CC1SC(=S)N(N)C1=O Amb8492540 [0,0,0,0,0,0|3,1,0]=4 47 B9R1.37 CN1CC(O)=C(O)C1=O Amb25145483 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.37 CN1SC(Cl)=C(Cl)C1=O Amb25889555 [0,0,0,0,0,0|3,1,0]=4 49 B9R1.37 C[C@@H]1C[C@@H](C)N(C)C1=O Amb25174058 [0,0,0,0,0,0|3,0,1]=4 50 B9R1.37 C[C@@H]1NC(=O)N(C)C1=O Amb27768581 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.37 C[C@@H]1NC(=O)N(N)C1=O Amb27435227 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.37 C[C@@H]1NC(=S)N(N)C1=O Amb28322846 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.37 C[C@@H]1OC(=O)C(N)=C1O Amb27850737 [0,0,0,0,0,0|2,0,1]=3 54 B9R1.37 C[C@@H]1OC(=O)C(O)=C1O Amb25332813 [0,0,0,0,0,0|1,0,1]=2 55 B9R1.37 C[C@@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27857584 [0,0,0,0,0,0|1,0,3]=4 56 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@@H]1O Amb25327544 [0,0,0,0,0,0|1,0,3]=4 57 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@H]1I Amb2612169 [0,0,0,0,0,0|2,0,2]=4 58 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@H]1O Amb24714713 [0,0,0,0,0,0|1,0,3]=4 59 B9R1.37 C[C@@H]1O[C@@H](C)[C@@H](O)[C@@H]1O Amb27196787 [0,0,0,0,0,0|0,0,4]=4 60 B9R1.37 C[C@@H]1O[C@H](C)[C@H](O)[C@H]1O Amb27631907 [0,0,0,0,0,0|0,0,4]=4 61 B9R1.37 C[C@H]1CC(=O)N(C)C1=O Amb25933614 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.37 C[C@H]1C[C@@H](C)C(=O)N1C Amb25347216 [0,0,0,0,0,0|3,0,1]=4 63 B9R1.37 C[C@H]1C[C@@H](C)N(C)C1=O Amb27767999 [0,0,0,0,0,0|3,0,1]=4 64 B9R1.37 C[C@H]1NC(=O)N(C)C1=O Amb26061869 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.37 C[C@H]1OC(=N)[C@@H](O)[C@H]1O Amb27775523 [0,0,0,0,0,0|1,0,3]=4 66 B9R1.37 C[C@H]1OC(=N)[C@H](O)[C@H]1O Amb27775524 [0,0,0,0,0,0|1,0,3]=4 67 B9R1.37 C[C@H]1OC(=O)C(Br)C1=O Amb27865464 [0,0,0,0,0,0|2,0,1]=3 68 B9R1.37 C[C@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27438513 [0,0,0,0,0,0|1,0,3]=4 69 B9R1.37 C[C@H]1OC(=O)[C@@H](O)[C@H]1O Amb27640250 [0,0,0,0,0,0|1,0,3]=4 70 B9R1.37 C[C@H]1OC(=O)[C@H](O)[C@@H]1O Amb27642097 [0,0,0,0,0,0|1,0,3]=4 71 B9R1.37 C[C@H]1OC(=O)[C@H](O)[C@H]1O Amb27432207 [0,0,0,0,0,0|1,0,3]=4 72 B9R1.37 C[C@H]1O[C@H](C)[C@@H](O)[C@@H]1O Amb27970482 [0,0,0,0,0,0|0,0,4]=4 73 B9R1.37 Cc1cn(C)c(C)c1N Amb18832867 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.37 Cc1cn(C)c(O)c1C Amb27834272 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.37 Cc1nn(C)c(Br)c1Br Amb6869677 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.37 Cc1nn(C)c(Br)c1F Amb25973850 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.37 Cc1nn(C)c(C)c1Br Amb2405520 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.37 Cc1nn(C)c(C)c1C Amb25782526 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.37 Cc1nn(C)c(C)c1Cl Amb9173514 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.37 Cc1nn(C)c(C)c1I Amb535360 [0,0,0,0,0,0|4,0,0]=4 81 B9R1.37 Cc1nn(C)c(C)c1N Amb1154314 [0,0,0,0,0,0|4,0,0]=4 82 B9R1.37 Cc1nn(C)c(C)c1N Amb19957809 [0,0,0,0,0,0|4,0,0]=4 83 B9R1.37 Cc1nn(C)c(C)c1O Amb19337696 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.37 Cc1nn(C)c(C)c1S Amb8833979 [0,0,0,0,0,0|3,1,0]=4 85 B9R1.37 Cc1nn(C)c(Cl)c1Br Amb20620419 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.37 Cc1nn(C)c(Cl)c1C Amb28435969 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.37 Cc1nn(C)c(Cl)c1Cl Amb27227523 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.37 Cc1nn(C)c(Cl)c1F Amb28324075 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.37 Cc1nn(C)c(Cl)c1I Amb21952857 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.37 Cc1nn(C)c(Cl)c1N Amb25146124 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.37 Cc1nn(C)c(Cl)c1O Amb33259170 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.37 Cc1nn(C)c(Cl)c1S Amb33257684 [0,0,0,0,0,0|3,1,0]=4 93 B9R1.37 Cc1nn(C)c(F)c1Br Amb22008911 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.37 Cc1nn(C)c(F)c1I Amb22008910 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.37 Cc1nn(C)c(F)c1N Amb32685647 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.37 Cc1nn(C)c(I)c1Br Amb24737240 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.37 Cc1nn(C)c(N)c1Br Amb22279471 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.37 Cc1nn(C)c(N)c1Br Amb9776350 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.37 Cc1nn(C)c(N)c1C Amb5259015 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.37 Cc1nn(C)c(N)c1Cl Amb30625797 [0,0,0,0,0,0|4,0,0]=4 101 B9R1.37 Cc1nn(C)c(N)c1Cl Amb9776343 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.37 Cc1nn(C)c(N)c1F Amb26638338 [0,0,0,0,0,0|4,0,0]=4 103 B9R1.37 Cc1nn(C)c(N)c1I Amb6892947 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.37 Cc1nn(C)c(O)c1Br Amb26851852 [0,0,0,0,0,0|3,0,1]=4 105 B9R1.37 Cc1nn(C)c(O)c1F Amb10067862 [0,0,0,0,0,0|3,0,1]=4 106 B9R1.37 Cc1nn(C)c(O)c1N Amb9416838 [0,0,0,0,0,0|3,0,1]=4 107 B9R1.37 Cc1nn(C)c(S)c1N Amb9416903 [0,0,0,0,0,0|3,1,0]=4 108 B9R1.37 Cc1oc(C)c(C)c1C Amb22339529 [0,0,0,0,0,0|2,0,1]=3 109 B9R1.37 Cc1sc(C)c(Br)c1Br Amb5721286 [0,0,0,0,0,0|2,1,1]=4 110 B9R1.37 Cc1sc(C)c(Br)c1C Amb27755340 [0,0,0,0,0,0|2,1,1]=4 111 B9R1.37 Cc1sc(C)c(Br)c1O Amb32698031 [0,0,0,0,0,0|1,1,1]=3 112 B9R1.37 Cc1sc(C)c(C)c1C Amb10606073 [0,0,0,0,0,0|2,1,1]=4 113 B9R1.37 Cc1sc(C)c(I)c1C Amb22728586 [0,0,0,0,0,0|2,1,1]=4 114 B9R1.37 Cc1sc(C)c(I)c1I Amb2612101 [0,0,0,0,0,0|2,1,1]=4 115 B9R1.37 Cn1nc(N)c(O)c1Br Amb27447638 [0,0,0,0,0,0|4,0,0]=4 116 B9R1.37 Cn1nc(N)c(O)c1O Amb27442085 [0,0,0,0,0,0|3,0,1]=4 117 B9R1.37 N[C@H]1CC(=O)N(O)C1=O Amb28249834 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.37 O=C1C(O)=C(Cl)CC1O Amb27838813 [0,0,0,0,0,0|3,0,0]=3 119 B9R1.37 O=C1OC(O)C(Br)=C1Br Amb534854 [0,0,0,0,0,0|4,0,0]=4 120 B9R1.37 O=C1OC(O)C(Cl)=C1Cl Amb9703190 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.37 O=C1OC(O)C(Cl)=C1O Amb27956629 [0,0,0,0,0,0|3,0,0]=3 122 B9R1.37 O=C1OC(O)C(I)=C1Cl Amb27480445 [0,0,0,0,0,0|4,0,0]=4 123 B8R1.18 C=C1CC(C)=CC1=O Amb28285155 [1,0,0,0,0,0|1,0,2]=4 124 B8R1.18 C=C1CC(C)OC1=O Amb8389608 [1,0,0,0,0,0|2,0,1]=4 125 B8R1.18 CC1=CC(=O)C(Br)C1 Amb28284387 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.18 CC1=CC(=O)C(C)C1 Amb24647798 [1,0,0,0,0,0|1,0,0]=2 127 B8R1.18 CC1=CC(=O)C(C)O1 Amb2725441 [1,0,0,0,0,0|0,0,0]=1 128 B8R1.18 CC1=CC(=O)C(Cl)C1 Amb27750318 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.18 CC1=CC(=O)CC1C Amb16191977 [1,0,0,0,0,0|3,0,0]=4 130 B8R1.18 CC1=CC(=O)C[C@@H]1C Amb28316193 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.18 CC1=CC(=O)C[C@H]1C Amb28316192 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.18 CC1=CC(=O)OC1Br Amb25144076 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.18 CC1=CC(=O)OC1O Amb8389484 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.18 CC1=CC(C)C(=N)N1 Amb27877914 [1,0,0,0,0,0|3,0,0]=4 135 B8R1.18 CC1=CC(C)C(=O)C1 Amb28049000 [1,0,0,0,0,0|1,0,1]=3 136 B8R1.18 CC1=CC(Cl)C(=O)O1 Amb24349720 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.18 CC1=CC(O)OC1=O Amb24589666 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.18 CC1=CN(C)C(=O)N1 Amb24482402 [1,0,0,0,0,0|3,0,0]=4 139 B8R1.18 CC1=NC(C)OC1=O Amb27429121 [1,0,0,0,0,0|2,0,1]=4 140 B8R1.18 CC1=NC(C)OC1C Amb20242408 [1,0,0,0,0,0|2,0,1]=4 141 B8R1.18 CC1=NN(C)C(=O)C1 Amb2228109 [1,0,0,0,0,0|2,0,1]=4 142 B8R1.18 CC1C=C(Cl)C(=O)N1 Amb28325995 [1,0,0,0,0,0|3,0,0]=4 143 B8R1.18 CC1C=C(O)C(=O)O1 Amb24332982 [1,0,0,0,0,0|1,0,0]=2 144 B8R1.18 CC1CC(=O)C(C)C1 Amb26510571 [1,0,0,0,0,0|1,0,2]=4 145 B8R1.18 CC1CC(=O)C(C)O1 Amb26869093 [1,0,0,0,0,0|0,0,2]=3 146 B8R1.18 CC1CC(=O)NC1=O Amb10609734 [1,0,0,0,0,0|3,0,0]=4 147 B8R1.18 CC1CC(=O)OC1=O Amb3940407 [1,0,0,0,0,0|3,0,0]=4 148 B8R1.18 CC1CC(C)C(=O)N1 Amb24698782 [1,0,0,0,0,0|2,0,1]=4 149 B8R1.18 CC1CC(C)C(=O)O1 Amb4017434 [1,0,0,0,0,0|2,0,1]=4 150 B8R1.18 CC1CC(N)=[N+](C)O1 Amb27180775 [1,0,0,0,0,0|2,0,1]=4 151 B8R1.18 CC1CC(O)C(=O)O1 Amb27451083 [1,0,0,0,0,0|1,0,2]=4 152 B8R1.18 CC1CN(C)C(O)=N1 Amb26370503 [1,0,0,0,0,0|3,0,0]=4 153 B8R1.18 CC1CN(C)CC1=O Amb20622328 [1,0,0,0,0,0|2,0,1]=4 154 B8R1.18 CC1C[C@@H](C)CC1=O Amb27424916 [1,0,0,0,0,0|1,0,2]=4 155 B8R1.18 CC1C[C@H](O)[C@H](C)O1 Amb27855467 [1,0,0,0,0,0|0,0,3]=4 156 B8R1.18 CC1NC(=O)C(C)N1 Amb24481399 [1,0,0,0,0,0|2,0,1]=4 157 B8R1.18 CC1NC(=O)C(C)S1 Amb27784375 [1,0,0,0,0,0|1,1,1]=4 158 B8R1.18 CC1NC(=O)C=C1O Amb27844475 [1,0,0,0,0,0|2,0,1]=4 159 B8R1.18 CC1NC(=O)CC1=O Amb23598276 [1,0,0,0,0,0|2,0,1]=4 160 B8R1.18 CC1NC(=O)NC1=O Amb1150065 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.18 CC1NC(=O)OC1=O Amb22236022 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.18 CC1NC(=O)[C@H](C)N1 Amb28284134 [1,0,0,0,0,0|2,0,1]=4 163 B8R1.18 CC1NC(=S)NC1=O Amb22263161 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.18 CC1NC(=S)OC1=O Amb27410191 [1,0,0,0,0,0|3,0,0]=4 165 B8R1.18 CC1OC(=O)C=C1N Amb27838294 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.18 CC1OC(=O)CC1=O Amb28290899 [1,0,0,0,0,0|1,0,1]=3 167 B8R1.18 CC1OC(=O)NC1=O Amb24357861 [1,0,0,0,0,0|2,0,0]=3 168 B8R1.18 CC1OC(=O)OC1=O Amb28315579 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.18 CC1SC(=N)NC1=O Amb2792627 [1,0,0,0,0,0|2,1,0]=4 170 B8R1.18 CC1SC(=O)NC1=O Amb21857287 [1,0,0,0,0,0|2,1,0]=4 171 B8R1.18 CC1SC(=S)NC1=O Amb27794294 [1,0,0,0,0,0|2,1,0]=4 172 B8R1.18 CC1SC(N)=NC1=O Amb6377861 [1,0,0,0,0,0|2,1,0]=4 173 B8R1.18 CN1NC(N)=CC1=O Amb22330561 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.18 CN1OC(=O)C=C1N Amb25910818 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.18 CN1OC(N)=CC1=O Amb25889242 [1,0,0,0,0,0|2,0,0]=3 176 B8R1.18 CN1SC(Cl)=CC1=O Amb19131238 [1,0,0,0,0,0|2,1,0]=4 177 B8R1.18 CN1SC(Cl)=CC1=O Amb22275942 [1,0,0,0,0,0|2,1,0]=4 178 B8R1.18 C[C@@H]1C=C(Br)C(=O)C1 Amb28318219 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.18 C[C@@H]1CC(=O)OC1=O Amb25791861 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.18 C[C@@H]1NC(=O)C=C1O Amb27815038 [1,0,0,0,0,0|2,0,1]=4 181 B8R1.18 C[C@@H]1NC(=O)CC1=O Amb18833079 [1,0,0,0,0,0|2,0,1]=4 182 B8R1.18 C[C@@H]1NC(=O)NC1=O Amb17617476 [1,0,0,0,0,0|3,0,0]=4 183 B8R1.18 C[C@@H]1NC(=O)OC1=O Amb2689575 [1,0,0,0,0,0|3,0,0]=4 184 B8R1.18 C[C@@H]1NC(=S)NC1=O Amb27154771 [1,0,0,0,0,0|3,0,0]=4 185 B8R1.18 C[C@@H]1S[C@H](C)NC1=O Amb27857156 [1,0,0,0,0,0|1,1,1]=4 186 B8R1.18 C[C@H]1C=C(Br)C(=O)O1 Amb27244767 [1,0,0,0,0,0|2,0,0]=3 187 B8R1.18 C[C@H]1CC(=O)NC1=O Amb28119095 [1,0,0,0,0,0|3,0,0]=4 188 B8R1.18 C[C@H]1CC(=O)OC1=O Amb2609932 [1,0,0,0,0,0|3,0,0]=4 189 B8R1.18 C[C@H]1CC(=O)[C@H](C)C1 Amb28429622 [1,0,0,0,0,0|1,0,2]=4 190 B8R1.18 C[C@H]1CC(=O)[C@H](C)O1 Amb28246509 [1,0,0,0,0,0|0,0,2]=3 191 B8R1.18 C[C@H]1C[C@@H](C)C(=O)O1 Amb28060142 [1,0,0,0,0,0|2,0,1]=4 192 B8R1.18 C[C@H]1C[C@@H](C)NC1=O Amb27619178 [1,0,0,0,0,0|2,0,1]=4 193 B8R1.18 C[C@H]1C[C@H](O)C(=O)O1 Amb27852763 [1,0,0,0,0,0|1,0,2]=4 194 B8R1.18 C[C@H]1NC(=O)NC1=O Amb17617475 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.18 C[C@H]1NC(=O)OC1=O Amb2689574 [1,0,0,0,0,0|3,0,0]=4 196 B8R1.18 C[C@H]1NC(=S)NC1=O Amb27961227 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.18 Cc1cc(Br)c(Br)o1 Amb28058770 [1,0,0,0,0,0|2,0,1]=4 198 B8R1.18 Cc1cc(Br)c(C)o1 Amb27221663 [1,0,0,0,0,0|1,0,1]=3 199 B8R1.18 Cc1cc(Br)c(C)s1 Amb20669146 [1,0,0,0,0,0|1,1,1]=4 200 B8R1.18 Cc1cc(Br)n(C)n1 Amb10067343 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.18 Cc1cc(Br)n(C)n1 Amb22899729 [1,0,0,0,0,0|3,0,0]=4 202 B8R1.18 Cc1cc(Br)n(C)n1 Amb31308053 [1,0,0,0,0,0|3,0,0]=4 203 B8R1.18 Cc1cc(Br)oc1C Amb28128216 [1,0,0,0,0,0|2,0,1]=4 204 B8R1.18 Cc1cc(C)c(Br)o1 Amb27658519 [1,0,0,0,0,0|2,0,1]=4 205 B8R1.18 Cc1cc(C)c(C)o1 Amb10606773 [1,0,0,0,0,0|1,0,1]=3 206 B8R1.18 Cc1cc(C)c(C)s1 Amb2691179 [1,0,0,0,0,0|1,1,1]=4 207 B8R1.18 Cc1cc(C)c(Cl)o1 Amb25064998 [1,0,0,0,0,0|2,0,1]=4 208 B8R1.18 Cc1cc(C)n(C)n1 Amb2592061 [1,0,0,0,0,0|3,0,0]=4 209 B8R1.18 Cc1cc(Cl)c(C)o1 Amb26573597 [1,0,0,0,0,0|1,0,1]=3 210 B8R1.18 Cc1cc(Cl)n(C)n1 Amb2724188 [1,0,0,0,0,0|3,0,0]=4 211 B8R1.18 Cc1cc(Cl)oc1C Amb24437563 [1,0,0,0,0,0|2,0,1]=4 212 B8R1.18 Cc1cc(F)n(C)n1 Amb22008914 [1,0,0,0,0,0|3,0,0]=4 213 B8R1.18 Cc1cc(I)c(C)s1 Amb20622653 [1,0,0,0,0,0|1,1,1]=4 214 B8R1.18 Cc1cc(I)n(C)n1 Amb19886669 [1,0,0,0,0,0|3,0,0]=4 215 B8R1.18 Cc1cc(N)c(C)s1 Amb18203027 [1,0,0,0,0,0|1,1,1]=4 216 B8R1.18 Cc1cc(N)c(C)s1 Amb33483233 [1,0,0,0,0,0|1,1,1]=4 217 B8R1.18 Cc1cc(N)n(C)n1 Amb1152506 [1,0,0,0,0,0|3,0,0]=4 218 B8R1.18 Cc1cc(N)n(C)n1 Amb2720286 [1,0,0,0,0,0|3,0,0]=4 219 B8R1.18 Cc1cc(O)c(Br)s1 Amb27193601 [1,0,0,0,0,0|1,1,1]=4 220 B8R1.18 Cc1cc(O)c(C)s1 Amb33473019 [1,0,0,0,0,0|0,1,1]=3 221 B8R1.18 Cc1cc(O)n(C)n1 Amb6374189 [1,0,0,0,0,0|2,0,1]=4 222 B8R1.18 Cc1cc(S)c(C)o1 Amb8515791 [1,0,0,0,0,0|0,1,1]=3 223 B8R1.18 Cc1cc(S)c(C)s1 Amb24361373 [1,0,0,0,0,0|0,2,1]=4 224 B8R1.18 Cc1cn(C)cc1C Amb27241022 [1,0,0,0,0,0|3,0,0]=4 225 B8R1.18 Cc1cn(C)nc1O Amb32724803 [1,0,0,0,0,0|3,0,0]=4 226 B8R1.18 Cc1nc(C)c(C)o1 Amb8513842 [1,0,0,0,0,0|2,0,1]=4 227 B8R1.18 Cc1nc(C)c(O)s1 Amb24690287 [1,0,0,0,0,0|2,0,1]=4 228 B8R1.18 Cc1nc(N)c(C)o1 Amb27391348 [1,0,0,0,0,0|2,0,1]=4 229 B8R1.18 Cc1nc(O)c(C)s1 Amb23504080 [1,0,0,0,0,0|1,1,1]=4 230 B8R1.18 Cc1nn(C)cc1Br Amb1995278 [1,0,0,0,0,0|3,0,0]=4 231 B8R1.18 Cc1nn(C)cc1Br Amb28934832 [1,0,0,0,0,0|3,0,0]=4 232 B8R1.18 Cc1nn(C)cc1Cl Amb1930435 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.18 Cc1nn(C)cc1I Amb16230354 [1,0,0,0,0,0|3,0,0]=4 234 B8R1.18 Cc1nn(C)cc1N Amb2154781 [1,0,0,0,0,0|3,0,0]=4 235 B8R1.18 Cc1nn(C)cc1N Amb2237292 [1,0,0,0,0,0|3,0,0]=4 236 B8R1.18 Cc1nn(C)cc1N Amb6502741 [1,0,0,0,0,0|3,0,0]=4 237 B8R1.18 Cc1nn(C)cc1O Amb26981960 [1,0,0,0,0,0|2,0,0]=3 238 B8R1.18 Cc1nn(C)cc1S Amb27228008 [1,0,0,0,0,0|2,1,0]=4 239 B8R1.18 Cc1oc(Br)cc1N Amb27227928 [1,0,0,0,0,0|2,0,1]=4 240 B8R1.18 Cn1cc(O)c(N)n1 Amb18833078 [1,0,0,0,0,0|3,0,0]=4 241 B8R1.18 Cn1sc(Cl)cc1=O Amb15691666 [1,0,0,0,0,0|2,1,0]=4 242 B8R1.18 O=C1C=C(Cl)C(Cl)O1 Amb27954144 [1,0,0,0,0,0|3,0,0]=4 243 B8R1.18 O=C1C=C(Cl)C(O)O1 Amb25889252 [1,0,0,0,0,0|3,0,0]=4 244 B8R1.18 O=C1OC(O)C=C1Cl Amb28139781 [1,0,0,0,0,0|3,0,0]=4 245 B8R1.18 O=C1OC(O)C=C1F Amb32655004 [1,0,0,0,0,0|3,0,0]=4 246 B8R1.50 C=C1C(=O)CCC1C Amb27199153 [1,0,0,0,0,0|2,0,1]=4 247 B8R1.50 CC1=C(Br)C(=O)CC1 Amb10067495 [1,0,0,0,0,0|2,0,0]=3 248 B8R1.50 CC1=C(Br)C(=O)NN1 Amb20667742 [1,0,0,0,0,0|3,0,0]=4 249 B8R1.50 CC1=C(Br)COC1=O Amb27854509 [1,0,0,0,0,0|3,0,0]=4 250 B8R1.50 CC1=C(C)C(=O)CC1 Amb22351730 [1,0,0,0,0,0|2,0,0]=3 251 B8R1.50 CC1=C(C)C(=O)N=N1 Amb26890918 [1,0,0,0,0,0|3,0,0]=4 252 B8R1.50 CC1=C(C)C(=O)NC1 Amb2778404 [1,0,0,0,0,0|3,0,0]=4 253 B8R1.50 CC1=C(C)C(=O)NN1 Amb21932497 [1,0,0,0,0,0|3,0,0]=4 254 B8R1.50 CC1=C(Cl)C(=O)OC1 Amb26020563 [1,0,0,0,0,0|3,0,0]=4 255 B8R1.50 CC1=C(Cl)C(=O)ON1 Amb27431251 [1,0,0,0,0,0|3,0,0]=4 256 B8R1.50 CC1=C(Cl)CCC1=O Amb27972997 [1,0,0,0,0,0|3,0,0]=4 257 B8R1.50 CC1=C(N)C(=O)NN1 Amb28934850 [1,0,0,0,0,0|3,0,0]=4 258 B8R1.50 CC1=C(N)C(=O)NN1 Amb32661104 [1,0,0,0,0,0|3,0,0]=4 259 B8R1.50 CC1=C(N)OCC1=O Amb27839546 [1,0,0,0,0,0|2,0,0]=3 260 B8R1.50 CC1=C(O)C(=O)CC1 Amb4004294 [1,0,0,0,0,0|1,0,0]=2 261 B8R1.50 CC1=C(O)C(=O)CO1 Amb8386149 [1,0,0,0,0,0|0,0,0]=1 262 B8R1.50 CC1=C(O)C(=O)CS1 Amb27273133 [1,0,0,0,0,0|0,1,0]=2 263 B8R1.50 CC1=C(O)C(=O)OC1 Amb23571854 [1,0,0,0,0,0|2,0,0]=3 264 B8R1.50 CC1=C(O)C(=O)SC1 Amb24638526 [1,0,0,0,0,0|2,0,0]=3 265 B8R1.50 CC1=C(O)COC1=O Amb2611869 [1,0,0,0,0,0|2,0,1]=4 266 B8R1.50 CC1=CCC(=O)C1O Amb27828885 [1,0,0,0,0,0|1,0,1]=3 267 B8R1.50 CC1=CCC(C)C1=O Amb17778666 [1,0,0,0,0,0|2,0,0]=3 268 B8R1.50 CC1=CSC(C)C1=O Amb28124245 [1,0,0,0,0,0|1,1,0]=3 269 B8R1.50 CC1C(=O)COC1=O Amb4035239 [1,0,0,0,0,0|2,0,1]=4 270 B8R1.50 CC1C=CC(C)C1=O Amb28202330 [1,0,0,0,0,0|2,0,1]=4 271 B8R1.50 CC1CCC(=O)C1=O Amb4477353 [1,0,0,0,0,0|1,0,2]=4 272 B8R1.50 CC1COC(=O)C1=O Amb27262699 [1,0,0,0,0,0|2,0,1]=4 273 B8R1.50 CC1NCN(O)C1=O Amb28251778 [1,0,0,0,0,0|2,0,1]=4 274 B8R1.50 CC1OCC(=O)C1C Amb29866230 [1,0,0,0,0,0|1,0,2]=4 275 B8R1.50 CC1OCC(=O)C1O Amb28131956 [1,0,0,0,0,0|0,0,2]=3 276 B8R1.50 CC1OCC(O)C1=O Amb28048942 [1,0,0,0,0,0|0,0,2]=3 277 B8R1.50 CN1C(=O)COC1=O Amb21927685 [1,0,0,0,0,0|3,0,0]=4 278 B8R1.50 CN1C=CC(O)C1=O Amb28207084 [1,0,0,0,0,0|2,0,1]=4 279 B8R1.50 CN1CC=C(Cl)C1=O Amb28255503 [1,0,0,0,0,0|3,0,0]=4 280 B8R1.50 CN1CC=C(N)C1=O Amb27971244 [1,0,0,0,0,0|3,0,0]=4 281 B8R1.50 CN1CCC(=O)C1=O Amb24183817 [1,0,0,0,0,0|2,0,1]=4 282 B8R1.50 CN1ON=C(N)C1=O Amb27656559 [1,0,0,0,0,0|3,0,0]=4 283 B8R1.50 C[C@H]1C=C[C@@H](C)C1=O Amb28316115 [1,0,0,0,0,0|2,0,1]=4 284 B8R1.50 Cc1c(O)cnn1C Amb28316174 [1,0,0,0,0,0|3,0,0]=4 285 B8R1.50 Cc1csc(C)c1O Amb27597766 [1,0,0,0,0,0|1,1,1]=4 286 B8R1.50 Cc1csc(C)c1O Amb35789434 [1,0,0,0,0,0|1,1,1]=4 287 B8R1.50 Cc1noc(C)c1Br Amb2685145 [1,0,0,0,0,0|3,0,0]=4 288 B8R1.50 Cc1noc(C)c1C Amb2447075 [1,0,0,0,0,0|3,0,0]=4 289 B8R1.50 Cc1noc(C)c1Cl Amb15701448 [1,0,0,0,0,0|3,0,0]=4 290 B8R1.50 Cc1noc(C)c1I Amb1210680 [1,0,0,0,0,0|3,0,0]=4 291 B8R1.50 Cc1noc(C)c1N Amb1945407 [1,0,0,0,0,0|3,0,0]=4 292 B8R1.50 Cc1noc(C)c1N Amb2693446 [1,0,0,0,0,0|3,0,0]=4 293 B8R1.50 Cc1noc(C)c1O Amb25353521 [1,0,0,0,0,0|2,0,0]=3 294 B8R1.50 Cc1noc(C)c1S Amb33422543 [1,0,0,0,0,0|2,1,0]=4 295 B8R1.50 Cc1onc(Br)c1C Amb2455737 [1,0,0,0,0,0|3,0,0]=4 296 B8R1.50 Cc1onc(Br)c1N Amb35747976 [1,0,0,0,0,0|3,0,0]=4 297 B8R1.50 Cc1onc(Br)c1N Amb35748095 [1,0,0,0,0,0|3,0,0]=4 298 B8R1.50 Cc1onc(Cl)c1C Amb23537388 [1,0,0,0,0,0|3,0,0]=4 299 B8R1.50 Cc1onc(N)c1Br Amb2684358 [1,0,0,0,0,0|3,0,0]=4 300 B8R1.50 Cc1onc(N)c1C Amb32661289 [1,0,0,0,0,0|3,0,0]=4 301 B8R1.50 Cc1onc(N)c1C Amb9787036 [1,0,0,0,0,0|3,0,0]=4 302 B8R1.50 Cc1onc(N)c1Cl Amb17621525 [1,0,0,0,0,0|3,0,0]=4 303 B8R1.50 Cc1onc(N)c1I Amb10068335 [1,0,0,0,0,0|3,0,0]=4 304 B8R1.50 Cc1onc(O)c1Br Amb21896415 [1,0,0,0,0,0|2,0,1]=4 305 B8R1.50 Cc1onc(O)c1C Amb10552497 [1,0,0,0,0,0|2,0,1]=4 306 B8R1.50 Cn1ncc(O)c1Cl Amb29873420 [1,0,0,0,0,0|3,0,0]=4 307 B8R1.50 Cn1ncc(O)c1N Amb28045260 [1,0,0,0,0,0|3,0,0]=4 308 B8R1.50 NC1=C(O)CCC1=O Amb27203866 [1,0,0,0,0,0|3,0,0]=4 309 B8R1.50 NC1=C(O)COC1=O Amb27830449 [1,0,0,0,0,0|2,0,1]=4 310 B8R1.50 O=C1CCC(=O)C1O Amb24443990 [1,0,0,0,0,0|2,0,1]=4 311 B8R1.50 O=C1CCC(=O)N1O Amb1152089 [1,0,0,0,0,0|3,0,0]=4 312 B8R1.50 O=C1CCC(Br)=C1O Amb24677469 [1,0,0,0,0,0|2,0,0]=3 313 B8R1.50 O=C1CCC(Cl)=C1Cl Amb27409520 [1,0,0,0,0,0|3,0,0]=4 314 B8R1.50 O=C1CCC(Cl)=C1O Amb28316155 [1,0,0,0,0,0|2,0,0]=3 315 B8R1.50 O=C1CCC(O)=C1Br Amb25205766 [1,0,0,0,0,0|3,0,0]=4 316 B8R1.50 O=C1CCC(O)=C1O Amb17593179 [1,0,0,0,0,0|2,0,0]=3 317 B8R1.50 O=C1COC(=O)C1Br Amb17594578 [1,0,0,0,0,0|2,0,1]=4 318 B8R1.50 O=C1COC(=O)C1Cl Amb534802 [1,0,0,0,0,0|2,0,1]=4 319 B8R1.50 O=C1NCC(O)=C1O Amb27815039 [1,0,0,0,0,0|2,0,1]=4 320 B8R1.50 O=C1OCC(Br)=C1Br Amb10067289 [1,0,0,0,0,0|3,0,0]=4 321 B8R1.50 O=C1OCC(Cl)=C1Cl Amb24551013 [1,0,0,0,0,0|3,0,0]=4 322 B8R1.50 O=C1OCC(O)=C1Br Amb5751200 [1,0,0,0,0,0|2,0,1]=4 323 B8R1.50 O=C1OCC(O)=C1F Amb27812981 [1,0,0,0,0,0|2,0,1]=4 324 B8R1.50 O=C1OCC(O)=C1O Amb23505710 [1,0,0,0,0,0|1,0,1]=3 325 B10R1.34 CC1=C(C)C(=O)C(CO)C1 Amb27256469 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.34 CCC1=C(C)C(=O)C(O)C1 Amb27164633 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.34 CCC1=C(O)C(=O)C(C)O1 Amb2699647 [0,1,0,0,0,0|0,0,0]=1 328 B10R1.34 CCC1OC(=O)C(N)=C1O Amb27204242 [0,1,0,0,0,0|2,0,1]=4 329 B10R1.34 CCC1OC(=O)C(O)=C1C Amb8386152 [0,1,0,0,0,0|2,0,0]=3 330 B10R1.34 CCC1OC(=O)C(O)=C1O Amb28208679 [0,1,0,0,0,0|1,0,1]=3 331 B10R1.34 CCC1OC(C)=C(O)C1=O Amb8393154 [0,1,0,0,0,0|0,0,0]=1 332 B10R1.34 CCC1OC(C)C(=O)C1=O Amb26476543 [0,1,0,0,0,0|0,0,2]=3 333 B10R1.34 CCN1OC(C)=C(C)C1=O Amb27222293 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.34 CCn1nc(C)c(O)c1C Amb25274551 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.34 CN1C(=O)OC(CN)C1=O Amb27794322 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.34 COC1=C(C)C(=O)C(C)S1 Amb27823175 [0,1,0,0,0,0|1,1,0]=3 337 B10R1.34 COC1CC(C)=C(O)C1=O Amb27945514 [0,1,0,0,0,0|1,0,0]=2 338 B10R1.34 C\C=C1\CC(C)=C(C)C1=O Amb27861084 [0,1,0,0,0,0|2,0,1]=4 339 B10R1.34 C\C=C1\OC(C)=C(O)C1=O Amb25112154 [0,1,0,0,0,0|0,0,1]=2 340 B10R1.34 Cc1oc(CN)c(C)c1Cl Amb27963117 [0,1,0,0,0,0|2,0,1]=4 341 B10R1.34 Cc1oc(CO)c(C)c1Cl Amb28140850 [0,1,0,0,0,0|2,0,1]=4 342 B10R1.34 NC1=C(O)C(CO)OC1=O Amb27872313 [0,1,0,0,0,0|2,0,1]=4 343 B10R1.34 NC1=C(O)[C@@H](CO)OC1=O Amb25299244 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.34 O=C1CC(CO)C(O)=C1O Amb25373972 [0,1,0,0,0,0|2,0,1]=4 345 B10R1.34 O=C1OC(CO)C(=O)C1=O Amb27454917 [0,1,0,0,0,0|1,0,1]=3 346 B10R1.34 O=C1OC(CO)C(Cl)=C1O Amb27455001 [0,1,0,0,0,0|2,0,0]=3 347 B10R1.34 O=C1OC(CO)C(F)=C1F Amb27980725 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.34 O=C1O[C@H](CO)C(=O)C1=O Amb25060580 [0,1,0,0,0,0|1,0,1]=3 349 B10R1.34 O=C1O[C@H](CO)C(Cl)=C1O Amb27655365 [0,1,0,0,0,0|2,0,0]=3 350 B10R1.34 O=C1O[C@H](CO)C(O)=C1O Amb25697045 [0,1,0,0,0,0|1,0,1]=3 351 B10R1.191 CC1=C(C)C(=O)C(C)C1=O Amb27424850 [0,1,0,0,0,0|2,0,0]=3 352 B10R1.191 CC1=C(C)C(=O)N(C)C1=O Amb27850960 [0,1,0,0,0,0|3,0,0]=4 353 B10R1.191 CC1=C(C)C(C)C(Br)C1=O Amb27974074 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.191 CC1=C(C)C(C)C(C)=C1C Amb8515580 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.191 CC1=C(C)C(C)C(C)C1=O Amb10070612 [0,1,0,0,0,0|2,0,0]=3 356 B10R1.191 CC1=C(C)[C@@H](C)[C@H](C)C1=O Amb22232302 [0,1,0,0,0,0|2,0,0]=3 357 B10R1.191 CC1=C(C)[C@H](C)[C@@H](C)C1=O Amb8517455 [0,1,0,0,0,0|2,0,0]=3 358 B10R1.191 CC1=C(N)C(=O)N(C)N1C Amb18276819 [0,1,0,0,0,0|3,0,0]=4 359 B10R1.191 CC1C(=O)C(Cl)=C(Cl)C1=O Amb25701939 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.191 O=C1C(O)=C(O)C(=O)C1O Amb27663201 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.256 CC1=C(CN)C(=O)N(C)N1 Amb33295144 [0,1,0,0,0,0|3,0,0]=4 362 B10R1.256 CC1CC(C)N(CO)C1=O Amb27598287 [0,1,0,0,0,0|2,0,1]=4 363 B10R1.256 CC1NC(N)=C(C#N)C1=O Amb2372674 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.256 CC1OC(=O)\C(=C/O)C1C Amb27259632 [0,1,0,0,0,0|2,0,1]=4 365 B10R1.256 CCC1=C(N)ON(C)C1=O Amb28128776 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.256 CCC1=C(O)C(=O)CC1C Amb24562872 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.256 CCC1C(=O)OC(C)C1=O Amb28049907 [0,1,0,0,0,0|2,0,1]=4 368 B10R1.256 CN1OC(=O)N(CO)C1=O Amb27829925 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.256 COC1=C(C)CC(Cl)C1=O Amb28121075 [0,1,0,0,0,0|2,0,0]=3 370 B10R1.256 COC1=C(C)CC(O)C1=O Amb27227229 [0,1,0,0,0,0|2,0,0]=3 371 B10R1.256 COC1=C(C)OC(C)C1=O Amb8393171 [0,1,0,0,0,0|0,0,0]=1 372 B10R1.256 CON1C(=O)[C@H](C)N[C@H]1C Amb28055462 [0,1,0,0,0,0|2,0,1]=4 373 B10R1.256 COc1c(C)oc(C)c1C Amb27974764 [0,1,0,0,0,0|1,0,1]=3 374 B10R1.256 COc1c(O)c(C)nn1C Amb33311152 [0,1,0,0,0,0|2,0,1]=4 375 B10R1.256 Cc1nn(C)c(C)c1CO Amb6861467 [0,1,0,0,0,0|3,0,0]=4 376 B10R1.256 Cc1nn(C)c(C)c1ON Amb28293262 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.256 Cc1nn(C)c(C=O)c1Br Amb18176810 [0,1,0,0,0,0|3,0,0]=4 378 B10R1.256 Cc1nn(C)c(C=O)c1Cl Amb18830421 [0,1,0,0,0,0|3,0,0]=4 379 B10R1.256 Cc1nn(C)c(Cl)c1CO Amb8842001 [0,1,0,0,0,0|3,0,0]=4 380 B10R1.256 Cc1nn(C)c(F)c1CO Amb24269126 [0,1,0,0,0,0|3,0,0]=4 381 B10R1.256 Cc1nn(C)c(O)c1C=O Amb24590607 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.256 Cc1oc(C)c(C#N)c1C Amb28123763 [0,1,0,0,0,0|2,0,1]=4 383 B10R1.256 Cc1oc(C)c(C=O)c1C Amb24613651 [0,1,0,0,0,0|1,0,1]=3 384 B10R1.256 Cc1oc(C)c(CBr)c1C Amb27594603 [0,1,0,0,0,0|2,0,1]=4 385 B10R1.256 Cc1oc(C)c(CN)c1C Amb18908320 [0,1,0,0,0,0|2,0,1]=4 386 B10R1.256 Cc1oc(C)c(CO)c1C Amb25198718 [0,1,0,0,0,0|1,0,1]=3 387 B10R1.256 Cc1sc(C)c(C=O)c1Br Amb2611549 [0,1,0,0,0,0|1,1,1]=4 388 B10R1.256 Cc1sc(C)c(C=O)c1C Amb10606774 [0,1,0,0,0,0|1,1,1]=4 389 B10R1.256 Cc1sc(C)c(C=O)c1Cl Amb27427599 [0,1,0,0,0,0|1,1,1]=4 390 B10R1.256 Cc1sc(C)c(C=O)c1I Amb2611553 [0,1,0,0,0,0|1,1,1]=4 391 B10R1.256 Cc1sc(C)c(CO)c1Br Amb32698029 [0,1,0,0,0,0|1,1,1]=4 392 B10R1.271 C=C1C(=O)C(C)(C)CC1C Amb28202259 [0,1,0,0,0,0|2,0,1]=4 393 B10R1.271 CC1(C)CC(=O)C(O)=C1Cl Amb27954206 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.271 CC1(C)CC(=O)C(O)=C1O Amb28323942 [0,1,0,0,0,0|2,0,1]=4 395 B10R1.271 CC1(C)OC(=O)C(N)=C1O Amb27472962 [0,1,0,0,0,0|2,0,1]=4 396 B10R1.271 CC1=C(C)C(=O)C(C)(C)O1 Amb27749767 [0,1,0,0,0,0|1,0,0]=2 397 B10R1.271 CC1=C(C)C(=O)[C@](C)(Cl)C1 Amb28285928 [0,1,0,0,0,0|2,0,0]=3 398 B10R1.271 CC1=C(C)C(C)(O)OC1=O Amb21926614 [0,1,0,0,0,0|3,0,0]=4 399 B10R1.271 CC1=C(O)C(=O)C(C)(C)C1 Amb27974664 [0,1,0,0,0,0|1,0,0]=2 400 B10R1.271 CC1=C(O)C(=O)C(C)(O)O1 Amb27617176 [0,1,0,0,0,0|0,0,0]=1 401 B10R1.271 CC1=C(O)C(=O)CC1(C)C Amb2700428 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.271 CC1=[C-]C(C)(C)C(C)=C1C Amb22231408 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.271 CC1C(=O)OC(C)(C)C1=O Amb27790587 [0,1,0,0,0,0|2,0,1]=4 404 B10R1.271 CN1C(=O)OC(C)(C)C1=O Amb4021249 [0,1,0,0,0,0|3,0,0]=4 405 B10R1.339 CC1OC(=O)C(C)(F)C1=O Amb26427234 [0,1,0,0,0,0|2,0,1]=4 406 B8R0.2 C=C(C(=O)CC)C(C)O Amb27984022 [0,0,1,0,0,0|1,0,1]=3 407 B8R0.2 C=C(C(=O)OC)[C@@H](C)O Amb27956621 [0,0,1,0,0,0|2,0,1]=4 408 B8R0.2 C=C(C)C(C)C(=O)CC Amb27838776 [0,0,1,0,0,0|2,0,1]=4 409 B8R0.2 C=C(CC)C(=C)C(C)O Amb28049263 [0,0,1,0,0,0|2,0,1]=4 410 B8R0.2 C=C(CC)C(=O)C(C)C Amb28122205 [0,0,1,0,0,0|2,0,1]=4 411 B8R0.2 C=C(O)C(O)C(=O)CC Amb28051028 [0,0,1,0,0,0|0,0,2]=3 412 B8R0.2 CC(=O)[C@H](O)C(=O)CO Amb25756996 [0,0,1,0,0,0|1,0,2]=4 413 B8R0.2 CC(O)C(O)C(=O)CO Amb27785801 [0,0,1,0,0,0|1,0,2]=4 414 B8R0.2 CC(O)[C@H](O)C(=O)CO Amb27227013 [0,0,1,0,0,0|1,0,2]=4 415 B8R0.2 CCC(=O)C(=O)C(=O)O Amb31097725 [0,0,1,0,0,0|1,0,1]=3 416 B8R0.2 CCC(=O)C(=O)C(C)=O Amb17593337 [0,0,1,0,0,0|0,0,2]=3 417 B8R0.2 CCC(=O)C(=O)C(C)C Amb25965254 [0,0,1,0,0,0|1,0,2]=4 418 B8R0.2 CCC(=O)C(=O)N(C)C Amb27838777 [0,0,1,0,0,0|2,0,1]=4 419 B8R0.2 CCC(=O)C(C)=C(C)C Amb24424875 [0,0,1,0,0,0|2,0,0]=3 420 B8R0.2 CCC(=O)C(C)=C(Cl)Cl Amb27838778 [0,0,1,0,0,0|3,0,0]=4 421 B8R0.2 CCC(=O)C(C)C(C)=O Amb17666954 [0,0,1,0,0,0|1,0,2]=4 422 B8R0.2 CCC(=O)C(C)C(C)=S Amb27267087 [0,0,1,0,0,0|1,1,1]=4 423 B8R0.2 CCC(=O)C(C)C(C)O Amb26509261 [0,0,1,0,0,0|1,0,2]=4 424 B8R0.2 CCC(=O)[C@@H](C)[C@@H](C)O Amb27211930 [0,0,1,0,0,0|1,0,2]=4 425 B8R0.2 CCC(=O)[C@@H](C)[C@H](C)O Amb27432902 [0,0,1,0,0,0|1,0,2]=4 426 B8R0.2 CCC(=O)\C(F)=C(\F)Cl Amb27781470 [0,0,1,0,0,0|3,0,0]=4 427 B8R0.2 CCC(C)C(=O)C(C)O Amb27774877 [0,0,1,0,0,0|1,0,2]=4 428 B8R0.2 CCN(C)C(=O)[C@@H](C)O Amb27196996 [0,0,1,0,0,0|2,0,1]=4 429 B8R0.2 CCN(C)C(=O)[C@H](C)O Amb27837644 [0,0,1,0,0,0|2,0,1]=4 430 B8R0.2 CCN(O)C(=O)C(C)C Amb27435663 [0,0,1,0,0,0|2,0,1]=4 431 B8R0.2 CC\C(C)=C(/C)C(=O)O Amb27424733 [0,0,1,0,0,0|3,0,0]=4 432 B8R0.2 CC\C(C)=C(/C)C(C)=O Amb28421971 [0,0,1,0,0,0|2,0,1]=4 433 B8R0.2 CC\C(O)=C(\C)C(=O)O Amb27253362 [0,0,1,0,0,0|2,0,1]=4 434 B8R0.2 COC(=O)C(=O)C(C)=O Amb17569865 [0,0,1,0,0,0|1,0,2]=4 435 B8R0.2 COC(=O)C(=O)C(C)Br Amb17621489 [0,0,1,0,0,0|2,0,1]=4 436 B8R0.2 COC(=O)C(=O)C(C)C Amb17935756 [0,0,1,0,0,0|2,0,1]=4 437 B8R0.2 COC(=O)C(=O)C(C)Cl Amb27239406 [0,0,1,0,0,0|2,0,1]=4 438 B8R0.2 COC(=O)C(=S)C(C)=O Amb27838708 [0,0,1,0,0,0|1,1,1]=4 439 B8R0.2 COC(=O)C(Br)=C(C)C Amb17610027 [0,0,1,0,0,0|3,0,0]=4 440 B8R0.2 COC(=O)C(F)=C(C)C Amb27396094 [0,0,1,0,0,0|3,0,0]=4 441 B8R0.2 COC(=O)C(N)=C(C)C Amb28057573 [0,0,1,0,0,0|3,0,0]=4 442 B8R0.2 COC(=O)C(O)C(C)O Amb27410609 [0,0,1,0,0,0|1,0,2]=4 443 B8R0.2 COC(C)C(=O)C(C)O Amb28193503 [0,0,1,0,0,0|2,0,1]=4 444 B8R0.2 CON(C)C(=O)[C@@H](C)O Amb27654927 [0,0,1,0,0,0|3,0,0]=4 445 B8R0.2 CON(C)C(=O)[C@H](C)O Amb27838570 [0,0,1,0,0,0|3,0,0]=4 446 B8R0.2 CSC(=O)C(=O)C(C)C Amb27256416 [0,0,1,0,0,0|2,0,1]=4 447 B8R0.2 C\C=C(/Br)C(=O)C(=O)O Amb28145171 [0,0,1,0,0,0|2,0,1]=4 448 B8R0.2 C\C=C(\C)C(=O)N(C)C Amb27837605 [0,0,1,0,0,0|3,0,0]=4 449 B8R0.2 C\N=C(/Cl)C(=O)C(C)C Amb28386633 [0,0,1,0,0,0|3,0,0]=4 450 B8R0.2 O=C(\C(Cl)=C\Cl)C(O)O Amb27471216 [0,0,1,0,0,0|3,0,0]=4 451 B8R0.3 C=C(C=O)C(C)\C=C\C Amb24513043 [0,0,1,0,0,0|2,0,1]=4 452 B8R0.3 C=C(CO)C(C)\C=C\C Amb28065951 [0,0,1,0,0,0|2,0,1]=4 453 B8R0.3 C=C(OCC)\C(Cl)=C\Cl Amb27196957 [0,0,1,0,0,0|2,0,1]=4 454 B8R0.3 C=CC(=O)C(=O)OCC Amb27771723 [0,0,1,0,0,0|2,0,1]=4 455 B8R0.3 C=CC(=O)C(C)CCC Amb25967399 [0,0,1,0,0,0|2,0,1]=4 456 B8R0.3 C=CC(=O)C(C)OCC Amb25720653 [0,0,1,0,0,0|1,0,1]=3 457 B8R0.3 C=CC(O)C(=O)OCC Amb27441470 [0,0,1,0,0,0|2,0,1]=4 458 B8R0.3 C=CC(O)C(C)OCC Amb25271569 [0,0,1,0,0,0|1,0,2]=4 459 B8R0.3 C=CC(O)\C(C)=C/CC Amb28049192 [0,0,1,0,0,0|2,0,1]=4 460 B8R0.3 CCC(=O)C(C)OC=O Amb27227136 [0,0,1,0,0,0|2,0,1]=4 461 B8R0.3 CCCC(=O)\C(O)=C\O Amb27206861 [0,0,1,0,0,0|2,0,1]=4 462 B8R0.3 CCOC(=O)C(=O)C=O Amb28239382 [0,0,1,0,0,0|1,0,1]=3 463 B8R0.3 CCOC(=O)C(Br)C=O Amb18130131 [0,0,1,0,0,0|2,0,1]=4 464 B8R0.3 CCOC(=O)C(C)C=O Amb3939653 [0,0,1,0,0,0|2,0,1]=4 465 B8R0.3 CCOC(=O)C(Cl)C=O Amb16230915 [0,0,1,0,0,0|2,0,1]=4 466 B8R0.3 CCOC(=O)C(F)C=O Amb17593406 [0,0,1,0,0,0|2,0,1]=4 467 B8R0.3 CCOC(=O)C(N)=S=O Amb27418279 [0,0,1,0,0,0|3,0,0]=4 468 B8R0.3 CCOC(=O)[C@@H](N)C=O Amb27237210 [0,0,1,0,0,0|2,0,1]=4 469 B8R0.3 CCOC(=O)\C(Br)=C\Br Amb24339171 [0,0,1,0,0,0|3,0,0]=4 470 B8R0.3 CCOC(=O)\C(C)=C/Br Amb30621741 [0,0,1,0,0,0|3,0,0]=4 471 B8R0.3 CCOC(=O)\C(C)=C/Cl Amb25045062 [0,0,1,0,0,0|3,0,0]=4 472 B8R0.3 CCOC(=O)\C(C)=C\Br Amb27880887 [0,0,1,0,0,0|3,0,0]=4 473 B8R0.3 CCOC(=O)\C(C)=C\N Amb27875412 [0,0,1,0,0,0|3,0,0]=4 474 B8R0.3 CCOC(=O)\C(Cl)=C/Cl Amb28119820 [0,0,1,0,0,0|3,0,0]=4 475 B8R0.3 CCOC(=O)\C(F)=C\F Amb27985112 [0,0,1,0,0,0|3,0,0]=4 476 B8R0.3 CCOC(=O)\C(F)=C\N Amb27860433 [0,0,1,0,0,0|3,0,0]=4 477 B8R0.3 CCOC(C)C(=O)C=O Amb26045242 [0,0,1,0,0,0|0,0,2]=3 478 B8R0.3 CCOC(C)C(=O)CN Amb33425731 [0,0,1,0,0,0|1,0,2]=4 479 B8R0.3 CCOC(C)C(=O)NN Amb2081553 [0,0,1,0,0,0|2,0,1]=4 480 B8R0.3 CCOC(C)C(=O)NN Amb9172212 [0,0,1,0,0,0|2,0,1]=4 481 B8R0.3 CCOC(C)C(C)C=O Amb18642799 [0,0,1,0,0,0|1,0,2]=4 482 B8R0.3 CCOC(C)\C(Cl)=C\Cl Amb27863447 [0,0,1,0,0,0|2,0,1]=4 483 B8R0.3 CCOC(C)\C(N)=N\O Amb19515269 [0,0,1,0,0,0|2,0,1]=4 484 B8R0.3 CCO[C@@H](C)C(=O)OC Amb28060813 [0,0,1,0,0,0|2,0,1]=4 485 B8R0.3 CCO[C@@H](C)[C@@H](C)C=O Amb27592962 [0,0,1,0,0,0|1,0,2]=4 486 B8R0.3 CCO\C(O)=C(/N)N=O Amb27439031 [0,0,1,0,0,0|3,0,0]=4 487 B8R0.3 CNCC(C)C(=O)NO Amb28120671 [0,0,1,0,0,0|3,0,0]=4 488 B8R0.3 C\C=C(/C)C(=N)OCC Amb27784277 [0,0,1,0,0,0|3,0,0]=4 489 B8R0.3 C\C=C(/C)C(=O)OCC Amb4021649 [0,0,1,0,0,0|3,0,0]=4 490 B8R0.3 C\C=C(/N)C(=O)OCC Amb27460193 [0,0,1,0,0,0|3,0,0]=4 491 B8R0.3 C\C=C(\C)C(=O)OCC Amb27867863 [0,0,1,0,0,0|3,0,0]=4 492 B8R0.19 C=CC(C)CC(C)C=O Amb18642444 [0,0,1,0,0,0|2,0,1]=4 493 B8R0.19 C=C[C@@H](C)C[C@@H](C)C=O Amb28436993 [0,0,1,0,0,0|2,0,1]=4 494 B8R0.19 C=C[C@H](C)C[C@H](C)C=O Amb28287728 [0,0,1,0,0,0|2,0,1]=4 495 B8R0.19 CC(C=O)OC(C)C=O Amb27224798 [0,0,1,0,0,0|0,0,2]=3 496 B8R0.19 C[C@H](C=O)C[C@@H](C)CO Amb27844405 [0,0,1,0,0,0|1,0,2]=4 497 B8R0.19 C\C(=C/O)O\C(C)=C\O Amb27752351 [0,0,1,0,0,0|0,0,2]=3 498 B8R0.19 C\C(C=O)=C\C(C)C=O Amb27440437 [0,0,1,0,0,0|1,0,1]=3 499 B8R0.19 C\C=C(/Br)CC(C)C=O Amb27828881 [0,0,1,0,0,0|3,0,0]=4 500 B8R0.19 C\C=C(\Br)CC(C)C=O Amb28198158 [0,0,1,0,0,0|3,0,0]=4 501 B10R2.20 CC1=CC2CCC1C2=O Amb28045864 [0,0,0,1,0,0|2,0,1]=4 502 B10R2.20 CC1=C[C@@H]2CC[C@H]1C2=O Amb27227231 [0,0,0,1,0,0|2,0,1]=4 503 B10R2.25 C=C1C(=O)C2CCC1C2 Amb22229357 [0,0,0,1,0,0|2,0,1]=4 504 B10R2.25 C=C1C(=O)[C@@H]2CC[C@H]1C2 Amb28052498 [0,0,0,1,0,0|2,0,1]=4 505 B10R2.25 C=C1C(=O)[C@H]2CC[C@@H]1C2 Amb24731738 [0,0,0,1,0,0|2,0,1]=4 506 B10R2.25 C[C@@H]1C(=O)[C@H]2CC[C@@H]1O2 Amb28197607 [0,0,0,1,0,0|1,0,2]=4 507 B10R2.25 O=C1C(=O)C2CCC1C2 Amb27599428 [0,0,0,1,0,0|1,0,2]=4 508 B10R2.25 O=C1C(=O)C2CCC1O2 Amb27785470 [0,0,0,1,0,0|0,0,2]=3 509 B10R2.25 O=C1[C@@H](O)C2CC[C@@H]1C2 Amb27431713 [0,0,0,1,0,0|1,0,2]=4 510 B10R2.25 O=C1[C@@H]2CC[C@@H](C2)[C@H]1O Amb27974643 [0,0,0,1,0,0|1,0,2]=4 511 B10R2.242 O=C1C(=O)C2CC2C1=O Amb27838726 [0,0,0,1,0,0|2,0,1]=4 512 B8R1.25 CC1=C(C)C(C)C1=O Amb28201047 [0,0,0,0,1,0|1,0,0]=2 513 B8R1.25 CC1=C(O)C(C)C1=O Amb28316188 [0,0,0,0,1,0|2,0,0]=3 514 B8R1.25 CC1C(=O)C(=O)C1C Amb28461215 [0,0,0,0,1,0|0,0,2]=3 515 B8R1.25 CC1C(=O)C(C)C1=O Amb27256509 [0,0,0,0,1,0|2,0,1]=4 516 B8R1.25 CC1C(=O)C(C)C1C Amb27954050 [0,0,0,0,1,0|1,0,2]=4 517 B8R1.25 Cc1c(O)c(=O)c1=O Amb8439679 [0,0,0,0,1,0|1,0,1]=3 518 B8R1.25 NC1=C(O)C(=O)C1=O Amb24668985 [0,0,0,0,1,0|2,0,1]=4 519 B8R1.25 O=C1C(=O)C(Br)=C1O Amb28324230 [0,0,0,0,1,0|2,0,1]=4 520 B8R1.25 O=C1C(=O)C(O)=C1O Amb17743969 [0,0,0,0,1,0|2,0,1]=4 521 B10R1.22 C=C1C[C@@H](C)O[C@@H](C)[C@@H]1O Amb27420582 [0,0,0,0,0,1|1,0,2]=4 522 B10R1.22 CC1=C(C)C(=O)CC(C)C1 Amb28324281 [0,0,0,0,0,1|2,0,0]=3 523 B10R1.22 CC1=C(C)C(=O)NC(C)C1 Amb27815027 [0,0,0,0,0,1|2,0,0]=3 524 B10R1.22 CC1=C(C)C(O)=CC(=O)O1 Amb20621398 [0,0,0,0,0,1|2,0,1]=4 525 B10R1.22 CC1=C(O)C(=O)NC(=O)N1 Amb19516699 [0,0,0,0,0,1|2,0,1]=4 526 B10R1.22 CC1=CC(=O)C(C)=C(C)N1 Amb24504976 [0,0,0,0,0,1|2,0,1]=4 527 B10R1.22 CC1=CC(=O)C(C)=C(O)O1 Amb28056702 [0,0,0,0,0,1|2,0,1]=4 528 B10R1.22 CC1=CC(=O)C(I)=C(C)N1 Amb27436231 [0,0,0,0,0,1|2,0,1]=4 529 B10R1.22 CC1=CC(=O)C=C(O)C1=O Amb28321974 [0,0,0,0,0,1|2,0,1]=4 530 B10R1.22 CC1=CC(=O)N(O)C(C)=C1 Amb24116965 [0,0,0,0,0,1|2,0,1]=4 531 B10R1.22 CC1=CC(C)=C(Cl)C(=O)N1 Amb32682427 [0,0,0,0,0,1|2,0,1]=4 532 B10R1.22 CC1=CC(C)=C(N)C(=O)N1 Amb18222770 [0,0,0,0,0,1|2,0,1]=4 533 B10R1.22 CC1=CC(O)=C(Br)C(=O)O1 Amb27400584 [0,0,0,0,0,1|2,0,1]=4 534 B10R1.22 CC1=CC(O)=C(C)C(=O)O1 Amb18048438 [0,0,0,0,0,1|2,0,1]=4 535 B10R1.22 CC1=CC(O)=C(N)C(=O)O1 Amb23454744 [0,0,0,0,0,1|2,0,1]=4 536 B10R1.22 CC1=CC(O)=C(O)C(=O)N1 Amb27751335 [0,0,0,0,0,1|2,0,1]=4 537 B10R1.22 CC1=CN(C)C(=O)C(Br)=C1 Amb18406010 [0,0,0,0,0,1|3,0,0]=4 538 B10R1.22 CC1=CN(C)C(=O)C(C)=C1 Amb22586605 [0,0,0,0,0,1|3,0,0]=4 539 B10R1.22 CC1=CN(C)C(=O)C(N)=C1 Amb20669248 [0,0,0,0,0,1|3,0,0]=4 540 B10R1.22 CC1=NC(=O)C(Br)=C(C)N1 Amb22057841 [0,0,0,0,0,1|2,0,1]=4 541 B10R1.22 CC1=NC(=O)C(F)=C(C)N1 Amb23401601 [0,0,0,0,0,1|2,0,1]=4 542 B10R1.22 CC1=NC(C)=C(C)C(=O)N1 Amb22058867 [0,0,0,0,0,1|2,0,1]=4 543 B10R1.22 CC1=NC(O)=C(O)C(=O)N1 Amb24505141 [0,0,0,0,0,1|2,0,1]=4 544 B10R1.22 CC1CC(=O)C(=O)C(=O)O1 Amb27768733 [0,0,0,0,0,1|1,0,1]=3 545 B10R1.22 CC1CC(=O)C(F)=C(O)C1 Amb34912618 [0,0,0,0,0,1|3,0,0]=4 546 B10R1.22 CC1CC(=O)C(O)C(C)C1 Amb28293442 [0,0,0,0,0,1|1,0,2]=4 547 B10R1.22 CC1CC(=O)C(O)C(C)O1 Amb27750244 [0,0,0,0,0,1|0,0,2]=3 548 B10R1.22 CC1NC(=O)NC(=O)C1=O Amb27441368 [0,0,0,0,0,1|2,0,1]=4 549 B10R1.22 CC1OC(O)C=C(Cl)C1=O Amb26961472 [0,0,0,0,0,1|2,0,1]=4 550 B10R1.22 CN1C=C(Br)N=C(O)C1=O Amb22500887 [0,0,0,0,0,1|3,0,0]=4 551 B10R1.22 C[C@@H]1NC(=O)CN(O)C1=O Amb25053315 [0,0,0,0,0,1|3,0,0]=4 552 B10R1.22 C[C@@H]1OC(=O)C[C@H](O)C1=O Amb27629583 [0,0,0,0,0,1|1,0,1]=3 553 B10R1.22 Cc1cc(Br)c(O)c(C)n1 Amb27168120 [0,0,0,0,0,1|2,0,1]=4 554 B10R1.22 Cc1cc(C)c(Br)c(O)c1 Amb18809997 [0,0,0,0,0,1|2,0,1]=4 555 B10R1.22 Cc1cc(C)c(C)c(O)c1 Amb2573294 [0,0,0,0,0,1|2,0,1]=4 556 B10R1.22 Cc1cc(C)c(Cl)c(O)n1 Amb33484097 [0,0,0,0,0,1|2,0,1]=4 557 B10R1.22 Cc1cc(C)c(I)c(O)c1 Amb27209608 [0,0,0,0,0,1|2,0,1]=4 558 B10R1.22 Cc1cc(C)c(N)c(O)c1 Amb8439128 [0,0,0,0,0,1|2,0,1]=4 559 B10R1.22 Cc1cc(C)c(O)c(Br)c1 Amb2608668 [0,0,0,0,0,1|2,0,1]=4 560 B10R1.22 Cc1cc(C)c(O)c(C)c1 Amb1301640 [0,0,0,0,0,1|2,0,1]=4 561 B10R1.22 Cc1cc(C)c(O)c(Cl)n1 Amb32423692 [0,0,0,0,0,1|2,0,1]=4 562 B10R1.22 Cc1cc(C)c(O)c(F)c1 Amb26996712 [0,0,0,0,0,1|2,0,1]=4 563 B10R1.22 Cc1cc(C)c(O)c(N)c1 Amb1783972 [0,0,0,0,0,1|2,0,1]=4 564 B10R1.22 Cc1cc(C)c(O)c(O)c1 Amb18057362 [0,0,0,0,0,1|1,0,2]=4 565 B10R1.22 Cc1cc(C)c(O)c(O)n1 Amb23592157 [0,0,0,0,0,1|1,0,2]=4 566 B10R1.22 Cc1cc(C)c(O)c(S)c1 Amb27749763 [0,0,0,0,0,1|1,1,1]=4 567 B10R1.22 Cc1cc(Cl)c(O)c(C)n1 Amb27227946 [0,0,0,0,0,1|2,0,1]=4 568 B10R1.22 Cc1cc(I)c(O)c(C)n1 Amb28256049 [0,0,0,0,0,1|2,0,1]=4 569 B10R1.22 Cc1cc(N)c(O)c(C)n1 Amb28145306 [0,0,0,0,0,1|2,0,1]=4 570 B10R1.22 Cc1cc(O)c(Br)c(C)n1 Amb4009139 [0,0,0,0,0,1|2,0,1]=4 571 B10R1.22 Cc1cc(O)c(Cl)c(=O)o1 Amb4136351 [0,0,0,0,0,1|2,0,1]=4 572 B10R1.22 Cc1cc(O)c(Cl)c(C)n1 Amb4023591 [0,0,0,0,0,1|2,0,1]=4 573 B10R1.22 Cc1cc(O)c(N)c(C)n1 Amb22263164 [0,0,0,0,0,1|2,0,1]=4 574 B10R1.22 Cc1nc(C)c(Br)c(O)n1 Amb21811329 [0,0,0,0,0,1|2,0,1]=4 575 B10R1.22 Cc1nc(C)c(C)c(O)n1 Amb10605234 [0,0,0,0,0,1|2,0,1]=4 576 B10R1.22 Cc1nc(C)c(Cl)c(O)n1 Amb20092815 [0,0,0,0,0,1|2,0,1]=4 577 B10R1.22 Cc1nc(C)c(I)c(O)n1 Amb2416132 [0,0,0,0,0,1|2,0,1]=4 578 B10R1.22 Cc1nc(C)c(N)c(O)n1 Amb1019538 [0,0,0,0,0,1|2,0,1]=4 579 B10R1.22 Cc1nc(C)c(O)c(C)n1 Amb8622738 [0,0,0,0,0,1|2,0,1]=4 580 B10R1.118 C=C1NC(=O)[C@H](C)NC1=O Amb27453653 [0,0,0,0,0,1|3,0,0]=4 581 B10R1.118 CC1=CC(=O)C(=O)C=C1O Amb31030971 [0,0,0,0,0,1|2,0,1]=4 582 B10R1.118 CC1=CC(=O)C(O)=CC1=O Amb28042956 [0,0,0,0,0,1|2,0,1]=4 583 B10R1.118 CC1=CC(C)C(=O)NC1=O Amb27229397 [0,0,0,0,0,1|1,0,1]=3 584 B10R1.118 CC1=CN(C)C(=O)N=C1N Amb18643414 [0,0,0,0,0,1|3,0,0]=4 585 B10R1.118 CC1=CN(C)C(=O)NC1=O Amb21948817 [0,0,0,0,0,1|2,0,1]=4 586 B10R1.118 CC1=NC(C)=C(C)NC1=O Amb22728070 [0,0,0,0,0,1|2,0,1]=4 587 B10R1.118 CC1=NN(C)C(=O)C=C1Cl Amb25680141 [0,0,0,0,0,1|3,0,0]=4 588 B10R1.118 CC1CC(C)C(=O)OC1=O Amb5718453 [0,0,0,0,0,1|1,0,2]=4 589 B10R1.118 CC1CC(C)C(O)=CC1=O Amb4038783 [0,0,0,0,0,1|1,0,1]=3 590 B10R1.118 CC1CN(C)C(=O)CC1=O Amb25851454 [0,0,0,0,0,1|2,0,1]=4 591 B10R1.118 CC1NC(=O)C(=O)NC1=O Amb27247069 [0,0,0,0,0,1|2,0,1]=4 592 B10R1.118 CC1NC(=O)C(C)OC1=O Amb27427452 [0,0,0,0,0,1|2,0,1]=4 593 B10R1.118 CC1NC(=O)C(O)NC1=O Amb28078999 [0,0,0,0,0,1|2,0,1]=4 594 B10R1.118 CC1NC(C)C(=O)NC1=O Amb28200085 [0,0,0,0,0,1|1,0,2]=4 595 B10R1.118 CC1OC(=O)C(C)OC1=O Amb2720905 [0,0,0,0,0,1|2,0,1]=4 596 B10R1.118 CC1OC(=O)[C@@H](C)NC1=O Amb27483050 [0,0,0,0,0,1|2,0,1]=4 597 B10R1.118 CC1OC(=O)[C@H](C)NC1=O Amb27492923 [0,0,0,0,0,1|2,0,1]=4 598 B10R1.118 CC1OC(C)C(=O)NC1=O Amb27394233 [0,0,0,0,0,1|0,0,2]=3 599 B10R1.118 CC1OC(C)C(=O)OC1=O Amb24520500 [0,0,0,0,0,1|0,0,2]=3 600 B10R1.118 CC1OC(O)C(=O)CC1O Amb27750673 [0,0,0,0,0,1|1,0,2]=4 601 B10R1.118 CC1ON(C)C(=O)CC1=O Amb28351563 [0,0,0,0,0,1|1,0,1]=3 602 B10R1.118 CC1SC(C)C(=O)CC1=O Amb27432596 [0,0,0,0,0,1|0,1,2]=4 603 B10R1.118 CC1SC(C)C(=O)NC1=O Amb7173002 [0,0,0,0,0,1|0,1,2]=4 604 B10R1.118 CC1SC(C)C(=O)OC1=O Amb25719431 [0,0,0,0,0,1|0,1,2]=4 605 B10R1.118 CN1C=C(Br)C(O)=CC1=O Amb28246451 [0,0,0,0,0,1|3,0,0]=4 606 B10R1.118 CN1C=C(Br)C(O)=NC1=O Amb21994762 [0,0,0,0,0,1|3,0,0]=4 607 B10R1.118 CN1C=C(Cl)C(O)=CC1=O Amb25886554 [0,0,0,0,0,1|3,0,0]=4 608 B10R1.118 CN1C=C(N)C(O)=CC1=O Amb27618309 [0,0,0,0,0,1|3,0,0]=4 609 B10R1.118 C[C@@H]1CN(C)C(=O)NC1=O Amb24687933 [0,0,0,0,0,1|2,0,1]=4 610 B10R1.118 C[C@@H]1C[C@@H](C)C(=S)NC1=O Amb27980261 [0,0,0,0,0,1|1,1,1]=4 611 B10R1.118 C[C@@H]1NC(=O)[C@H](C)OC1=O Amb28075504 [0,0,0,0,0,1|2,0,1]=4 612 B10R1.118 C[C@@H]1OC(=O)[C@H](C)OC1=O Amb22336588 [0,0,0,0,0,1|2,0,1]=4 613 B10R1.118 C[C@@H]1OC(O)[C@@H](O)CC1=O Amb28253708 [0,0,0,0,0,1|1,0,2]=4 614 B10R1.118 C[C@H]1C[C@@H](C)C(=O)NC1=O Amb27794266 [0,0,0,0,0,1|1,0,2]=4 615 B10R1.118 C[C@H]1C[C@@H](C)C(=O)OC1=O Amb6384624 [0,0,0,0,0,1|1,0,2]=4 616 B10R1.118 C[C@H]1C[C@H](C)C(=O)CC1=O Amb25934030 [0,0,0,0,0,1|1,0,2]=4 617 B10R1.118 C[C@H]1C[C@H](C)C(=O)NC1=O Amb27625054 [0,0,0,0,0,1|1,0,2]=4 618 B10R1.118 C[C@H]1NC(=O)[C@@H](C)OC1=O Amb24569311 [0,0,0,0,0,1|2,0,1]=4 619 B10R1.118 C[C@H]1OC(=O)[C@@H](C)OC1=O Amb25911854 [0,0,0,0,0,1|2,0,1]=4 620 B10R1.118 C[C@H]1OC(O)[C@H](O)CC1=O Amb27199106 [0,0,0,0,0,1|1,0,2]=4 621 B10R1.118 C[C@H]1O[C@@H](O)[C@H](O)CC1=O Amb28074821 [0,0,0,0,0,1|1,0,2]=4 622 B10R1.118 Cc1cc(C)c(Br)cc1O Amb25205419 [0,0,0,0,0,1|2,0,1]=4 623 B10R1.118 Cc1cc(C)c(F)cc1O Amb28388715 [0,0,0,0,0,1|2,0,1]=4 624 B10R1.118 Cc1cc(C)c(I)cc1O Amb26575499 [0,0,0,0,0,1|2,0,1]=4 625 B10R1.118 Cc1cc(C)c(O)cc1C Amb1971495 [0,0,0,0,0,1|2,0,1]=4 626 B10R1.118 Cc1cc(C)c(O)cc1N Amb28050161 [0,0,0,0,0,1|2,0,1]=4 627 B10R1.118 Cc1cc(C)c(S)cc1O Amb27199046 [0,0,0,0,0,1|1,1,1]=4 628 B10R1.118 Cc1nn(C)c(=O)cc1N Amb5751220 [0,0,0,0,0,1|3,0,0]=4 629 B10R1.118 Cc1nn(C)c(=O)cc1O Amb10808489 [0,0,0,0,0,1|2,0,0]=3 630 B10R1.119 CC1=C(Br)C(=O)C(O)=CO1 Amb28135936 [0,0,0,0,0,1|2,0,1]=4 631 B10R1.119 CC1=C(Br)C(=O)N(C)C=C1 Amb23448404 [0,0,0,0,0,1|3,0,0]=4 632 B10R1.119 CC1=C(Br)C(=O)N(C)C=N1 Amb28119352 [0,0,0,0,0,1|3,0,0]=4 633 B10R1.119 CC1=C(N)C(=O)N(C)C=C1 Amb20622860 [0,0,0,0,0,1|3,0,0]=4 634 B10R1.119 CC1=C(N)CCC(C)C1=O Amb25111993 [0,0,0,0,0,1|3,0,0]=4 635 B10R1.119 CC1=C(O)C(=O)C(Br)=CO1 Amb28287070 [0,0,0,0,0,1|1,0,1]=3 636 B10R1.119 CC1=C(O)C(=O)C(O)=CO1 Amb22011879 [0,0,0,0,0,1|1,0,1]=3 637 B10R1.119 CC1=C(O)C(=O)C(O)CO1 Amb17933348 [0,0,0,0,0,1|1,0,0]=2 638 B10R1.119 CC1=CNC(C)=C(O)C1=O Amb24629168 [0,0,0,0,0,1|1,0,1]=3 639 B10R1.119 CC1=CNC(F)=C(O)C1=O Amb27768630 [0,0,0,0,0,1|2,0,1]=4 640 B10R1.119 CC1=COC(C)C(C)C1=O Amb28194005 [0,0,0,0,0,1|1,0,2]=4 641 B10R1.119 CN1C=CC(Cl)=C(O)C1=O Amb26847476 [0,0,0,0,0,1|3,0,0]=4 642 B10R1.119 Cc1ccc(C)c(Cl)c1O Amb25920449 [0,0,0,0,0,1|2,0,1]=4 643 B10R1.119 Cc1ccc(C)c(F)c1O Amb24569535 [0,0,0,0,0,1|2,0,1]=4 644 B10R1.119 Cc1ccc(C)c(O)c1C Amb3940306 [0,0,0,0,0,1|2,0,1]=4 645 B10R1.119 Cc1ccc(C)c(O)c1N Amb18054488 [0,0,0,0,0,1|2,0,1]=4 646 B10R1.119 Cc1ccc(C)c(O)c1O Amb18554813 [0,0,0,0,0,1|1,0,2]=4 647 B10R1.119 Cc1cnc(C)c(C)c1O Amb24406781 [0,0,0,0,0,1|2,0,1]=4 648 B10R1.119 Cc1cnc(C)c(O)c1C Amb22044255 [0,0,0,0,0,1|2,0,1]=4 649 B10R1.119 O=C1C(O)=C(Cl)CCC1Cl Amb27477395 [0,0,0,0,0,1|3,0,0]=4 650 B7R0.2 C=C(Br)C[C@@H](C)C=O Amb28381143 [1,0,1,0,0,0|2,0,0]=4 651 B7R0.2 C=C(C)CC(=O)CC Amb27600284 [1,0,1,0,0,0|1,0,1]=4 652 B7R0.2 C=C(C)CC(C)C=O Amb18641711 [1,0,1,0,0,0|1,0,0]=3 653 B7R0.2 C=C(C)OC(C)CCl Amb27461428 [1,0,1,0,0,0|1,0,1]=4 654 B7R0.2 C=C(C)\C=C(/C)C=O Amb27464033 [1,0,1,0,0,0|1,0,1]=4 655 B7R0.2 C=CC(C)OC(C)=O Amb4016456 [1,0,1,0,0,0|1,0,1]=4 656 B7R0.2 C=C\C(Br)=C/[C@H](C)O Amb27768632 [1,0,1,0,0,0|1,0,1]=4 657 B7R0.2 C=C\C(C)=C/C(C)O Amb28061923 [1,0,1,0,0,0|1,0,1]=4 658 B7R0.2 CC(=O)C[C@@H](C)C=O Amb27470883 [1,0,1,0,0,0|1,0,1]=4 659 B7R0.2 CC(=O)C[C@H](C)C=O Amb24379584 [1,0,1,0,0,0|1,0,1]=4 660 B7R0.2 CC(=O)N[C@H](C)C=O Amb27838347 [1,0,1,0,0,0|1,0,1]=4 661 B7R0.2 CC(=O)OC(C)C=O Amb18641863 [1,0,1,0,0,0|0,0,1]=3 662 B7R0.2 CC(=O)O[C@H](C)C=O Amb28422009 [1,0,1,0,0,0|0,0,1]=3 663 B7R0.2 CC(C)=CC(=O)CBr Amb17594501 [1,0,1,0,0,0|2,0,0]=4 664 B7R0.2 CC(C)=CC(=O)CCl Amb28313535 [1,0,1,0,0,0|2,0,0]=4 665 B7R0.2 CC(C)=CC(=O)CO Amb28048944 [1,0,1,0,0,0|2,0,0]=4 666 B7R0.2 CC(C)OC(C)C=O Amb25243083 [1,0,1,0,0,0|0,0,2]=4 667 B7R0.2 CCC(=O)C=C(C)C Amb25715052 [1,0,1,0,0,0|1,0,0]=3 668 B7R0.2 CCC(=O)CC(=O)O Amb18641869 [1,0,1,0,0,0|1,0,1]=4 669 B7R0.2 CCC(=O)CC(C)=O Amb9775078 [1,0,1,0,0,0|0,0,2]=4 670 B7R0.2 CCC(=O)C[C@@H](C)O Amb28316195 [1,0,1,0,0,0|0,0,2]=4 671 B7R0.2 CCC(=O)NC(C)=O Amb27800787 [1,0,1,0,0,0|1,0,1]=4 672 B7R0.2 CCC(=O)NC(C)=S Amb28287319 [1,0,1,0,0,0|1,1,0]=4 673 B7R0.2 CCC(=O)OC(C)=O Amb21858081 [1,0,1,0,0,0|1,0,1]=4 674 B7R0.2 CCC(=O)\C=C(/C)Br Amb28315626 [1,0,1,0,0,0|1,0,0]=3 675 B7R0.2 CCC(=O)\C=C(\C)N Amb26526823 [1,0,1,0,0,0|1,0,0]=3 676 B7R0.2 CC\C(Br)=C\C(=O)O Amb27409320 [1,0,1,0,0,0|2,0,0]=4 677 B7R0.2 CC\C(C)=C/C(=O)O Amb18281014 [1,0,1,0,0,0|2,0,0]=4 678 B7R0.2 CC\C(C)=C/C(C)=O Amb27424977 [1,0,1,0,0,0|1,0,1]=4 679 B7R0.2 CC\C(C)=C\C(=O)O Amb33528462 [1,0,1,0,0,0|2,0,0]=4 680 B7R0.2 CC\C(C)=C\C(C)=O Amb27985733 [1,0,1,0,0,0|1,0,1]=4 681 B7R0.2 CC\C(C)=C\C(C)O Amb28128461 [1,0,1,0,0,0|1,0,1]=4 682 B7R0.2 CC\C(F)=C/C(=O)O Amb27780201 [1,0,1,0,0,0|2,0,0]=4 683 B7R0.2 CC\C(N)=C\C(=O)O Amb28145108 [1,0,1,0,0,0|2,0,0]=4 684 B7R0.2 CC\C(O)=C\C(=O)O Amb27837122 [1,0,1,0,0,0|1,0,1]=4 685 B7R0.2 CC\C(S)=C\C(C)=O Amb27775797 [1,0,1,0,0,0|0,1,1]=4 686 B7R0.2 CC\C([O-])=C\C(C)=O Amb19960031 [1,0,1,0,0,0|0,0,2]=4 687 B7R0.2 CNC(=O)C=C(C)C Amb27838918 [1,0,1,0,0,0|2,0,0]=4 688 B7R0.2 CNC(=O)\C=C(/C)N Amb27253694 [1,0,1,0,0,0|2,0,0]=4 689 B7R0.2 COC(=O)C=C(C)C Amb8384897 [1,0,1,0,0,0|2,0,0]=4 690 B7R0.2 COC(=O)\C=C(/C)N Amb1157857 [1,0,1,0,0,0|2,0,0]=4 691 B7R0.2 COC(=O)\C=C(\C)N Amb4018177 [1,0,1,0,0,0|2,0,0]=4 692 B7R0.2 C\C(C=O)=C\C(C)O Amb27802195 [1,0,1,0,0,0|2,0,0]=4 693 B7R0.2 C\N=C(C)/C=C(\C)O Amb27637850 [1,0,1,0,0,0|2,0,0]=4 694 B7R0.5 C=C(Br)C(=O)OCC Amb19516136 [1,0,1,0,0,0|2,0,0]=4 695 B7R0.5 C=C(C)C(=N)OCC Amb26382068 [1,0,1,0,0,0|2,0,0]=4 696 B7R0.5 C=C(C)C(=O)OCC Amb8395008 [1,0,1,0,0,0|2,0,0]=4 697 B7R0.5 C=C(C)C(=O)\C=C\C Amb24422389 [1,0,1,0,0,0|1,0,1]=4 698 B7R0.5 C=C(CCC)C(=O)O Amb18641779 [1,0,1,0,0,0|1,0,1]=4 699 B7R0.5 C=C(Cl)C(=O)OCC Amb22734210 [1,0,1,0,0,0|2,0,0]=4 700 B7R0.5 C=CCC(C)C(=O)O Amb33545044 [1,0,1,0,0,0|1,0,1]=4 701 B7R0.5 C=CNC(=O)C(C)O Amb27872694 [1,0,1,0,0,0|1,0,1]=4 702 B7R0.5 C=COC(=O)C(C)O Amb17593197 [1,0,1,0,0,0|1,0,1]=4 703 B7R0.5 CC#CC(C)C(=O)O Amb22748425 [1,0,1,0,0,0|1,0,1]=4 704 B7R0.5 CC(=O)C(C)OC=O Amb26492625 [1,0,1,0,0,0|1,0,1]=4 705 B7R0.5 CC(C)C(=O)\C=C\Cl Amb34915330 [1,0,1,0,0,0|2,0,0]=4 706 B7R0.5 CC(C)C(=O)\C=C\N Amb25083174 [1,0,1,0,0,0|2,0,0]=4 707 B7R0.5 CC(C)C(=O)\C=C\[O-] Amb27837535 [1,0,1,0,0,0|2,0,0]=4 708 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [1,0,1,0,0,0|2,0,0]=4 709 B7R0.5 CC(Cl)C(=O)\C=C\Cl Amb17593817 [1,0,1,0,0,0|2,0,0]=4 710 B7R0.5 CC(NC=O)C(=O)O Amb1144629 [1,0,1,0,0,0|2,0,0]=4 711 B7R0.5 CC(OC=O)C(=O)O Amb27872094 [1,0,1,0,0,0|1,0,0]=3 712 B7R0.5 CC=C=C(Cl)C(C)O Amb27763418 [1,0,1,0,0,0|1,0,1]=4 713 B7R0.5 CCCC(=O)C(=O)O Amb22347924 [1,0,1,0,0,0|2,0,0]=4 714 B7R0.5 CCCC(=O)C(C)O Amb24481443 [1,0,1,0,0,0|0,0,2]=4 715 B7R0.5 CCCC(=O)[C@H](C)O Amb24546365 [1,0,1,0,0,0|0,0,2]=4 716 B7R0.5 CCCC(C)C(=O)O Amb3938958 [1,0,1,0,0,0|1,0,1]=4 717 B7R0.5 CCC[C@@H](C)C(=O)O Amb10844028 [1,0,1,0,0,0|1,0,1]=4 718 B7R0.5 CCC[C@H](C)C(=O)O Amb10844037 [1,0,1,0,0,0|1,0,1]=4 719 B7R0.5 CCNC(=O)C(=O)O Amb9303800 [1,0,1,0,0,0|2,0,0]=4 720 B7R0.5 CCNC(=O)C(C)O Amb9421391 [1,0,1,0,0,0|1,0,1]=4 721 B7R0.5 CCNC(=O)[C@@H](C)O Amb27402988 [1,0,1,0,0,0|1,0,1]=4 722 B7R0.5 CCNC(=O)[C@H](C)O Amb28250860 [1,0,1,0,0,0|1,0,1]=4 723 B7R0.5 CCNC(C)C(=O)O Amb33527634 [1,0,1,0,0,0|1,0,1]=4 724 B7R0.5 CCNC(C)C(=O)O Amb9326962 [1,0,1,0,0,0|1,0,1]=4 725 B7R0.5 CCN[C@@H](C)C(=O)O Amb26579594 [1,0,1,0,0,0|1,0,1]=4 726 B7R0.5 CCN[C@H](C)C(=O)O Amb24351099 [1,0,1,0,0,0|1,0,1]=4 727 B7R0.5 CCOC(=O)C(=O)Cl Amb932808 [1,0,1,0,0,0|2,0,0]=4 728 B7R0.5 CCOC(=O)C(=O)O Amb16192090 [1,0,1,0,0,0|1,0,0]=3 729 B7R0.5 CCOC(=O)C(=O)[O-] Amb16192061 [1,0,1,0,0,0|1,0,1]=4 730 B7R0.5 CCOC(=O)C(C)=O Amb2793051 [1,0,1,0,0,0|2,0,0]=4 731 B7R0.5 CCOC(=O)C(C)O Amb8517047 [1,0,1,0,0,0|1,0,1]=4 732 B7R0.5 CCOC(=O)C(N)=O Amb3886540 [1,0,1,0,0,0|2,0,0]=4 733 B7R0.5 CCOC(=O)[C@@H](C)O Amb17614096 [1,0,1,0,0,0|1,0,1]=4 734 B7R0.5 CCOC(=O)[C@H](C)O Amb3939669 [1,0,1,0,0,0|1,0,1]=4 735 B7R0.5 CCOC(=S)C(N)=O Amb10604171 [1,0,1,0,0,0|2,0,0]=4 736 B7R0.5 CCOC(C)C(=O)O Amb9725271 [1,0,1,0,0,0|0,0,1]=3 737 B7R0.5 CCOC(C)C(C)=O Amb9666103 [1,0,1,0,0,0|0,0,2]=4 738 B7R0.5 CCOC(C)C(N)=O Amb19960053 [1,0,1,0,0,0|1,0,1]=4 739 B7R0.5 CCOC(F)C(=O)O Amb27210743 [1,0,1,0,0,0|1,0,1]=4 740 B7R0.5 CCON(C)C(N)=O Amb27829816 [1,0,1,0,0,0|2,0,0]=4 741 B7R0.5 CCSC(=O)C(=O)O Amb28410577 [1,0,1,0,0,0|1,1,0]=4 742 B7R0.5 CCSC(C)C(=O)O Amb9721554 [1,0,1,0,0,0|0,1,1]=4 743 B7R0.5 CC\C=C(/C)C(=O)O Amb2689584 [1,0,1,0,0,0|1,0,0]=3 744 B7R0.5 CC\C=C(/C)C(C)O Amb27761819 [1,0,1,0,0,0|1,0,1]=4 745 B7R0.5 CC\C=C(/C)C(N)=O Amb27985331 [1,0,1,0,0,0|2,0,0]=4 746 B7R0.5 CC\C=C(/Cl)C(C)=O Amb27199134 [1,0,1,0,0,0|1,0,1]=4 747 B7R0.5 CC\C=C(/F)C(=O)O Amb27968785 [1,0,1,0,0,0|2,0,0]=4 748 B7R0.5 CC\C=C(\C)C(=O)O Amb27233430 [1,0,1,0,0,0|1,0,0]=3 749 B7R0.5 CC\C=C(\C)[C@@H](C)O Amb27484789 [1,0,1,0,0,0|1,0,1]=4 750 B7R0.5 CC\C=C(\Cl)C(C)=O Amb27486079 [1,0,1,0,0,0|1,0,1]=4 751 B7R0.5 CNCC(C)C(=O)O Amb13952364 [1,0,1,0,0,0|2,0,0]=4 752 B7R0.5 CNCC(C)C(=O)O Amb9400281 [1,0,1,0,0,0|2,0,0]=4 753 B7R0.5 CN\N=C(/C)C(=O)O Amb27489531 [1,0,1,0,0,0|2,0,0]=4 754 B7R0.5 COCC(C)C(=O)O Amb33545090 [1,0,1,0,0,0|2,0,0]=4 755 B7R0.5 COC[C@@H](C)C(=O)O Amb26599229 [1,0,1,0,0,0|2,0,0]=4 756 B7R0.5 COC[C@H](C)C(=O)O Amb10844266 [1,0,1,0,0,0|2,0,0]=4 757 B7R0.5 CON[C@@H](C)C(=O)O Amb27862116 [1,0,1,0,0,0|2,0,0]=4 758 B7R0.5 CO\C=C(/C)C(=O)O Amb18641867 [1,0,1,0,0,0|2,0,0]=4 759 B7R0.5 CO\C=C(/O)C(C)=O Amb27423656 [1,0,1,0,0,0|1,0,1]=4 760 B7R0.5 CO\C=C(\O)C(C)=O Amb27435154 [1,0,1,0,0,0|1,0,1]=4 761 B7R0.5 CO\N=C(/C)C(=O)O Amb28203933 [1,0,1,0,0,0|2,0,0]=4 762 B7R0.5 CSCC(C)C(=O)O Amb18967825 [1,0,1,0,0,0|2,0,0]=4 763 B7R0.5 CSC[C@@H](C)C(=O)O Amb26047434 [1,0,1,0,0,0|2,0,0]=4 764 B7R0.5 C[C@H](NC=O)C(=O)O Amb28323701 [1,0,1,0,0,0|2,0,0]=4 765 B7R0.5 C\C(=C/CCl)C(=O)O Amb25844891 [1,0,1,0,0,0|2,0,0]=4 766 B7R0.5 C\C(=C/CN)C(=O)O Amb25845292 [1,0,1,0,0,0|2,0,0]=4 767 B7R0.5 C\C(=C/CS)C(=O)O Amb28041309 [1,0,1,0,0,0|2,0,0]=4 768 B7R0.5 C\C=C\C(=O)C(C)C Amb25718415 [1,0,1,0,0,0|1,0,0]=3 769 B7R0.5 C\C=C\C(=O)C(Cl)Cl Amb27204170 [1,0,1,0,0,0|2,0,0]=4 770 B7R0.5 C\C=C\C(=O)N(C)C Amb28058173 [1,0,1,0,0,0|2,0,0]=4 771 B7R0.5 C\C=C\C(=O)N(C)N Amb33191429 [1,0,1,0,0,0|2,0,0]=4 772 B7R0.5 C\C=C\C(Br)C(=O)O Amb27451575 [1,0,1,0,0,0|2,0,0]=4 773 B7R0.5 C\C=C\C(C)C(C)=O Amb26585088 [1,0,1,0,0,0|1,0,1]=4 774 B7R0.5 C\C=C\C(C)C(C)O Amb32944797 [1,0,1,0,0,0|1,0,1]=4 775 B7R0.5 C\C=C\C(O)C(=O)O Amb30585115 [1,0,1,0,0,0|2,0,0]=4 776 B7R0.5 C\C=C\C(O)C(C)O Amb28429731 [1,0,1,0,0,0|0,0,2]=4 777 B7R0.5 C\C=C\[C@@H](N)C(=O)O Amb27948524 [1,0,1,0,0,0|2,0,0]=4 778 B7R0.5 C\C=C\[C@@H](O)C(=O)O Amb28368832 [1,0,1,0,0,0|2,0,0]=4 779 B7R0.5 C\C=C\[C@H](O)C(=O)O Amb27162651 [1,0,1,0,0,0|2,0,0]=4 780 B7R0.5 C\N=C\C(=O)C(C)C Amb28048921 [1,0,1,0,0,0|2,0,0]=4 781 B7R0.10 C=C(C=O)[C@@H](C)CC Amb27390187 [1,0,1,0,0,0|1,0,1]=4 782 B7R0.10 C=C(CC)C(=O)CC Amb17593165 [1,0,1,0,0,0|1,0,1]=4 783 B7R0.10 C=C(CC)C(=O)CO Amb27486129 [1,0,1,0,0,0|1,0,1]=4 784 B7R0.10 C=C(CO)\C(C)=C/C Amb28065375 [1,0,1,0,0,0|2,0,0]=4 785 B7R0.10 C=CC(=O)C(C)CC Amb26350444 [1,0,1,0,0,0|1,0,1]=4 786 B7R0.10 C=CC(=O)N(C)OC Amb9492353 [1,0,1,0,0,0|2,0,0]=4 787 B7R0.10 C=CC(=O)[C@H](C)NC Amb30039175 [1,0,1,0,0,0|2,0,0]=4 788 B7R0.10 C=CC(=O)\C(C)=C/C Amb27434163 [1,0,1,0,0,0|1,0,1]=4 789 B7R0.10 CCC(=O)C(=O)CC Amb6608779 [1,0,1,0,0,0|0,0,2]=4 790 B7R0.10 CCC(=O)C(=O)CO Amb28316184 [1,0,1,0,0,0|0,0,2]=4 791 B7R0.10 CCC(=O)C(=O)OC Amb17935757 [1,0,1,0,0,0|1,0,1]=4 792 B7R0.10 CCC(=O)C(O)CC Amb2721046 [1,0,1,0,0,0|0,0,2]=4 793 B7R0.10 CCC(=O)C(O)CO Amb28074689 [1,0,1,0,0,0|0,0,2]=4 794 B7R0.10 CCC(=O)\C(Br)=C\O Amb28316206 [1,0,1,0,0,0|1,0,0]=3 795 B7R0.10 CCC(=O)\C(C)=C/N Amb17778143 [1,0,1,0,0,0|2,0,0]=4 796 B7R0.10 CCC(=O)\C(C)=C\Br Amb26477160 [1,0,1,0,0,0|2,0,0]=4 797 B7R0.10 CCC(=O)\C(C)=C\Cl Amb28291599 [1,0,1,0,0,0|2,0,0]=4 798 B7R0.10 CCC(=O)\C(C)=C\N Amb27798686 [1,0,1,0,0,0|2,0,0]=4 799 B7R0.10 CCC(=O)\C(C)=N/O Amb10552519 [1,0,1,0,0,0|2,0,0]=4 800 B7R0.10 CCC(=O)\C(C)=N\C Amb27260482 [1,0,1,0,0,0|2,0,0]=4 801 B7R0.10 CCC(=O)\C(C)=N\O Amb27460236 [1,0,1,0,0,0|2,0,0]=4 802 B7R0.10 CCC(C)C(=O)CO Amb24680373 [1,0,1,0,0,0|0,0,2]=4 803 B7R0.10 CCC(C)C(=O)NO Amb6275767 [1,0,1,0,0,0|1,0,1]=4 804 B7R0.10 CCC(C)C(O)C=O Amb28454245 [1,0,1,0,0,0|0,0,2]=4 805 B7R0.10 CCC(O)C(=O)CO Amb28316154 [1,0,1,0,0,0|0,0,2]=4 806 B7R0.10 CC[C@H](O)C(=O)CO Amb27433137 [1,0,1,0,0,0|0,0,2]=4 807 B7R0.10 CC\C(C)=C(/C)C=O Amb27622928 [1,0,1,0,0,0|1,0,0]=3 808 B7R0.10 CC\C(C)=C(/F)C=O Amb27948535 [1,0,1,0,0,0|1,0,0]=3 809 B7R0.10 CC\C(Cl)=C(/C)C=O Amb27761558 [1,0,1,0,0,0|2,0,0]=4 810 B7R0.10 CC\C(O)=C(/Br)C=O Amb28133175 [1,0,1,0,0,0|2,0,0]=4 811 B7R0.10 CNC(C)C(=O)NO Amb27207236 [1,0,1,0,0,0|2,0,0]=4 812 B7R0.10 COC(=O)C(O)C=O Amb27468135 [1,0,1,0,0,0|1,0,1]=4 813 B7R0.10 COC(=O)[C@@H](C)OC Amb27218042 [1,0,1,0,0,0|2,0,0]=4 814 B7R0.10 COC(=O)[C@H](C)OC Amb28316057 [1,0,1,0,0,0|2,0,0]=4 815 B7R0.10 COC(C)C(=O)C=O Amb27622168 [1,0,1,0,0,0|0,0,1]=3 816 B7R0.10 COC(C)C(=O)NN Amb2081552 [1,0,1,0,0,0|2,0,0]=4 817 B7R0.10 COC(C)\C(Cl)=N\O Amb28436190 [1,0,1,0,0,0|2,0,0]=4 818 B7R0.10 COC(C)\C(N)=N\O Amb19650787 [1,0,1,0,0,0|2,0,0]=4 819 B7R0.10 CON(C)C(=O)C=O Amb28325250 [1,0,1,0,0,0|1,0,1]=4 820 B7R0.10 C\C=C(/Br)C(=O)OC Amb24618775 [1,0,1,0,0,0|2,0,0]=4 821 B7R0.10 C\C=C(/C)C(=O)CBr Amb28458579 [1,0,1,0,0,0|2,0,0]=4 822 B7R0.10 C\C=C(/C)C(=O)CC Amb28066002 [1,0,1,0,0,0|1,0,0]=3 823 B7R0.10 C\C=C(/C)C(=O)NC Amb27838362 [1,0,1,0,0,0|2,0,0]=4 824 B7R0.10 C\C=C(/C)C(=O)OC Amb6296120 [1,0,1,0,0,0|2,0,0]=4 825 B7R0.10 C\C=C(/N)C(=O)OC Amb27438851 [1,0,1,0,0,0|2,0,0]=4 826 B7R0.10 C\C=C(\C)C(=O)OC Amb19930194 [1,0,1,0,0,0|2,0,0]=4 827 B7R0.16 C=C(C(=O)O)[C@H](C)O Amb27410183 [1,0,1,0,0,0|2,0,0]=4 828 B7R0.16 C=C(C(C)=O)C(C)=O Amb27424014 [1,0,1,0,0,0|1,0,1]=4 829 B7R0.16 C=C(C(C)=O)[C@@H](C)O Amb26964906 [1,0,1,0,0,0|1,0,1]=4 830 B7R0.16 C=C(C(C)=O)[C@H](C)O Amb27424236 [1,0,1,0,0,0|1,0,1]=4 831 B7R0.16 C=C(C)C(=O)C(C)C Amb25353284 [1,0,1,0,0,0|2,0,0]=4 832 B7R0.16 C=C(C)C(=O)C(C)N Amb26370543 [1,0,1,0,0,0|2,0,0]=4 833 B7R0.16 C=C(C)C(=O)[C@@H](C)N Amb30024657 [1,0,1,0,0,0|2,0,0]=4 834 B7R0.16 C=C(C)C(=O)[C@H](C)N Amb35617899 [1,0,1,0,0,0|2,0,0]=4 835 B7R0.16 CC(=O)C(=O)C(=O)O Amb24101563 [1,0,1,0,0,0|1,0,1]=4 836 B7R0.16 CC(=O)C(=O)C(C)=O Amb17593178 [1,0,1,0,0,0|0,0,2]=4 837 B7R0.16 CC(=O)C(=O)C(C)Br Amb24055325 [1,0,1,0,0,0|1,0,1]=4 838 B7R0.16 CC(=O)C(=O)C(C)C Amb26614542 [1,0,1,0,0,0|1,0,1]=4 839 B7R0.16 CC(=O)C(=S)C(C)=O Amb24588939 [1,0,1,0,0,0|0,1,1]=4 840 B7R0.16 CC(=O)C(C)=C(C)C Amb17593162 [1,0,1,0,0,0|2,0,0]=4 841 B7R0.16 CC(=O)C(Cl)=C(C)C Amb28048939 [1,0,1,0,0,0|2,0,0]=4 842 B7R0.16 CC(=O)C(O)C(C)=O Amb28048968 [1,0,1,0,0,0|0,0,2]=4 843 B7R0.16 CC(=O)C(O)C(C)O Amb26597030 [1,0,1,0,0,0|0,0,2]=4 844 B7R0.16 CC(=O)N(O)C(C)=O Amb22750106 [1,0,1,0,0,0|1,0,1]=4 845 B7R0.16 CC(=O)[C@@H](O)[C@@H](C)O Amb24481484 [1,0,1,0,0,0|0,0,2]=4 846 B7R0.16 CC(=O)[C@@H](O)[C@H](C)O Amb28045145 [1,0,1,0,0,0|0,0,2]=4 847 B7R0.16 CC(=O)[C@H](O)[C@@H](C)O Amb24701454 [1,0,1,0,0,0|0,0,2]=4 848 B7R0.16 CC(=O)\C(C)=C(/C)N Amb25232464 [1,0,1,0,0,0|2,0,0]=4 849 B7R0.16 CC(=O)\C(C)=C(\C)Br Amb27265798 [1,0,1,0,0,0|2,0,0]=4 850 B7R0.16 CC(=O)\C(C)=C(\C)N Amb28316241 [1,0,1,0,0,0|2,0,0]=4 851 B7R0.16 CC(=O)\C(F)=C(/C)F Amb27798095 [1,0,1,0,0,0|2,0,0]=4 852 B7R0.16 CC(=O)\C(F)=C(/C)O Amb28384212 [1,0,1,0,0,0|1,0,0]=3 853 B7R0.16 CC(=O)\C(F)=C(\C)F Amb24645401 [1,0,1,0,0,0|2,0,0]=4 854 B7R0.16 CC(=O)\C(N)=C(/C)O Amb26452525 [1,0,1,0,0,0|1,0,0]=3 855 B7R0.16 CC(Br)C(=O)C(=O)O Amb23400913 [1,0,1,0,0,0|2,0,0]=4 856 B7R0.16 CC(C)C(=O)C(=O)O Amb6600000 [1,0,1,0,0,0|2,0,0]=4 857 B7R0.16 CC(C)C(=O)C(C)O Amb26478614 [1,0,1,0,0,0|1,0,1]=4 858 B7R0.16 CC(C)C(=O)N(C)O Amb27963828 [1,0,1,0,0,0|2,0,0]=4 859 B7R0.16 CC(C)C(=O)[C@H](C)O Amb27985493 [1,0,1,0,0,0|1,0,1]=4 860 B7R0.16 CC(F)C(=O)C(=O)O Amb27246511 [1,0,1,0,0,0|2,0,0]=4 861 B7R0.16 CC(N)C(=O)N(C)O Amb27640165 [1,0,1,0,0,0|2,0,0]=4 862 B7R0.16 CC(O)C(=O)C(=O)O Amb24481396 [1,0,1,0,0,0|1,0,0]=3 863 B7R0.16 CC(O)C(=O)C(C)Br Amb27806606 [1,0,1,0,0,0|1,0,1]=4 864 B7R0.16 CC(O)C(=O)N(C)C Amb2609090 [1,0,1,0,0,0|2,0,0]=4 865 B7R0.16 CC(S)C(=O)C(=O)O Amb28128312 [1,0,1,0,0,0|1,1,0]=4 866 B7R0.16 C[C@@H](O)C(=O)N(C)C Amb25358663 [1,0,1,0,0,0|2,0,0]=4 867 B7R0.16 C\C(O)=C(/N)C(N)=O Amb28429800 [1,0,1,0,0,0|2,0,0]=4 868 B7R0.16 C\C(O)=C(\N)C(=O)O Amb27191761 [1,0,1,0,0,0|2,0,0]=4 869 B7R0.16 C\C(O)=C(\O)C(=O)O Amb28282804 [1,0,1,0,0,0|1,0,0]=3 870 B7R0.16 C\C(O)=C(\O)C(C)O Amb25227909 [1,0,1,0,0,0|0,0,1]=3 871 B7R0.16 C\C(O)=C(\O)[C@@H](C)O Amb27862909 [1,0,1,0,0,0|0,0,1]=3 872 B7R0.3 C=CC(=O)COCC Amb27248148 [1,0,1,0,0,0|1,0,1]=4 873 B7R0.3 C=CC(=O)C\C=C\C Amb26475455 [1,0,1,0,0,0|2,0,0]=4 874 B7R0.3 C=C\C=C/[C@H](C)C=O Amb27592910 [1,0,1,0,0,0|2,0,0]=4 875 B7R0.3 C=C\C=C\C(C)C=O Amb28048951 [1,0,1,0,0,0|2,0,0]=4 876 B7R0.3 CCC\C=C(/Cl)C=O Amb27201672 [1,0,1,0,0,0|2,0,0]=4 877 B7R0.3 CCOCC(=O)CO Amb28066809 [1,0,1,0,0,0|0,0,2]=4 878 B7R0.3 CCOCC(O)C=O Amb27883256 [1,0,1,0,0,0|0,0,2]=4 879 B7R0.3 CCO\C=C(/C)C=O Amb8514481 [1,0,1,0,0,0|1,0,0]=3 880 B7R0.3 CCO\C=C(\C)C=O Amb18641771 [1,0,1,0,0,0|1,0,0]=3 881 B7R0.3 CCS\C=C(\O)C=O Amb27412581 [1,0,1,0,0,0|0,1,0]=3 882 B7R0.3 C\C(C=O)=C/CC=O Amb27236148 [1,0,1,0,0,0|1,0,1]=4 883 B7R0.3 C\C=C\CC(C)C=O Amb17593164 [1,0,1,0,0,0|2,0,0]=4 884 B7R0.3 C\C=C\C[C@H](C)C=O Amb27403477 [1,0,1,0,0,0|2,0,0]=4 885 B7R0.7 C=C(\C=C/Br)OCC Amb27409775 [1,0,1,0,0,0|1,0,1]=4 886 B7R0.7 C=C\C=C(/C)CCC Amb24577361 [1,0,1,0,0,0|2,0,0]=4 887 B7R0.7 CCC\C(Br)=C/C=O Amb28252419 [1,0,1,0,0,0|2,0,0]=4 888 B7R0.7 CCC\C(C)=C\C=O Amb27237056 [1,0,1,0,0,0|1,0,0]=3 889 B7R0.7 CCOC(=O)CC=O Amb8394868 [1,0,1,0,0,0|1,0,1]=4 890 B7R0.7 CCOC(=O)NC=O Amb28349177 [1,0,1,0,0,0|2,0,0]=4 891 B7R0.7 CCOC(=O)[CH-]C=O Amb26035798 [1,0,1,0,0,0|1,0,1]=4 892 B7R0.7 CCOC(=O)\C=C/Br Amb8515599 [1,0,1,0,0,0|2,0,0]=4 893 B7R0.7 CCOC(=O)\C=C/Cl Amb27791777 [1,0,1,0,0,0|2,0,0]=4 894 B7R0.7 CCOC(=O)\C=C/I Amb9825994 [1,0,1,0,0,0|2,0,0]=4 895 B7R0.7 CCOC(=O)\C=C/N Amb25275600 [1,0,1,0,0,0|2,0,0]=4 896 B7R0.7 CCOC(=O)\C=C\Br Amb33135678 [1,0,1,0,0,0|2,0,0]=4 897 B7R0.7 CCOC(=O)\C=C\Cl Amb27205247 [1,0,1,0,0,0|2,0,0]=4 898 B7R0.7 CCOC(=O)\C=C\F Amb32644746 [1,0,1,0,0,0|2,0,0]=4 899 B7R0.7 CCOC(=O)\C=C\I Amb10604155 [1,0,1,0,0,0|2,0,0]=4 900 B7R0.7 CCOC(=O)\C=C\N Amb20247563 [1,0,1,0,0,0|2,0,0]=4 901 B7R0.7 CCOC(=O)\C=C\S Amb30008387 [1,0,1,0,0,0|1,1,0]=4 902 B7R0.7 CCOC(=O)\C=C\[O-] Amb10552505 [1,0,1,0,0,0|1,0,1]=4 903 B7R0.7 CCOC(C)CC=O Amb25702447 [1,0,1,0,0,0|0,0,2]=4 904 B7R0.7 CCOC(C)NC=O Amb27391666 [1,0,1,0,0,0|1,0,1]=4 905 B7R0.7 CCS\C(C)=C/C=O Amb18642814 [1,0,1,0,0,0|0,1,0]=3 906 B7R0.7 CCS\C(C)=C\C=O Amb27482152 [1,0,1,0,0,0|0,1,0]=3 907 B7R0.7 COC\C(C)=C\C=O Amb28287378 [1,0,1,0,0,0|2,0,0]=4 908 B7R0.7 C\C=C\C(=O)OCC Amb8513578 [1,0,1,0,0,0|2,0,0]=4 909 B7R1.2 C=C1NC(=O)CO1 Amb27847146 [2,0,0,0,0,0|1,0,1]=4 910 B7R1.2 CC1=CC(=N)NO1 Amb22330538 [2,0,0,0,0,0|2,0,0]=4 911 B7R1.2 CC1=CC(=O)CC1 Amb6608696 [2,0,0,0,0,0|1,0,0]=3 912 B7R1.2 CC1=CC(=O)CN1 Amb27390872 [2,0,0,0,0,0|1,0,0]=3 913 B7R1.2 CC1=CC(=O)CO1 Amb22372192 [2,0,0,0,0,0|0,0,0]=2 914 B7R1.2 CC1=CC(=O)NC1 Amb24479892 [2,0,0,0,0,0|2,0,0]=4 915 B7R1.2 CC1=CC(=O)NN1 Amb19770794 [2,0,0,0,0,0|2,0,0]=4 916 B7R1.2 CC1=CC(=O)NO1 Amb19338707 [2,0,0,0,0,0|1,0,0]=3 917 B7R1.2 CC1=CC(=O)OC1 Amb22002703 [2,0,0,0,0,0|2,0,0]=4 918 B7R1.2 CC1=CCC(O)O1 Amb27241898 [2,0,0,0,0,0|1,0,1]=4 919 B7R1.2 CC1=NC(=O)CS1 Amb27838191 [2,0,0,0,0,0|1,1,0]=4 920 B7R1.2 CC1=NC(C)C=C1 Amb27442121 [2,0,0,0,0,0|1,0,0]=3 921 B7R1.2 CC1=NCC(=O)N1 Amb27827848 [2,0,0,0,0,0|2,0,0]=4 922 B7R1.2 CC1=NCC(=O)O1 Amb27783804 [2,0,0,0,0,0|2,0,0]=4 923 B7R1.2 CC1C=CC(=O)C1 Amb27260718 [2,0,0,0,0,0|2,0,0]=4 924 B7R1.2 CC1C=CC(=O)O1 Amb24053964 [2,0,0,0,0,0|1,0,0]=3 925 B7R1.2 CC1C=CC(=O)S1 Amb25746305 [2,0,0,0,0,0|1,1,0]=4 926 B7R1.2 CC1C=CC(C)C1 Amb28365868 [2,0,0,0,0,0|1,0,1]=4 927 B7R1.2 CC1C=CC(C)N1 Amb2722487 [2,0,0,0,0,0|1,0,1]=4 928 B7R1.2 CC1CC(=O)CO1 Amb25888380 [2,0,0,0,0,0|0,0,2]=4 929 B7R1.2 C[C@@H]1C=CC(=O)C1 Amb28199837 [2,0,0,0,0,0|2,0,0]=4 930 B7R1.2 C[C@H]1C=CC(=O)C1 Amb27262978 [2,0,0,0,0,0|2,0,0]=4 931 B7R1.2 C[C@H]1C=C[C@H](C)N1 Amb27880029 [2,0,0,0,0,0|1,0,1]=4 932 B7R1.2 Cc1cc(Br)co1 Amb18828030 [2,0,0,0,0,0|1,0,1]=4 933 B7R1.2 Cc1cc(Br)no1 Amb10603673 [2,0,0,0,0,0|2,0,0]=4 934 B7R1.2 Cc1cc(C)on1 Amb17685548 [2,0,0,0,0,0|2,0,0]=4 935 B7R1.2 Cc1cc(Cl)no1 Amb24524072 [2,0,0,0,0,0|2,0,0]=4 936 B7R1.2 Cc1cc(N)no1 Amb532931 [2,0,0,0,0,0|2,0,0]=4 937 B7R1.2 Cc1cc(O)cs1 Amb24523671 [2,0,0,0,0,0|0,1,1]=4 938 B7R1.2 Cc1cc(O)no1 Amb2370655 [2,0,0,0,0,0|1,0,1]=4 939 B7R1.2 Cc1cc(S)no1 Amb33315953 [2,0,0,0,0,0|1,1,0]=4 940 B7R1.2 Cc1ccc(Br)o1 Amb10600628 [2,0,0,0,0,0|1,0,1]=4 941 B7R1.2 Cc1ccc(C)o1 Amb2447078 [2,0,0,0,0,0|0,0,1]=3 942 B7R1.2 Cc1ccc(C)s1 Amb2447067 [2,0,0,0,0,0|0,1,1]=4 943 B7R1.2 Cc1ccc(Cl)o1 Amb25242029 [2,0,0,0,0,0|1,0,1]=4 944 B7R1.2 Cc1ccc(F)o1 Amb27397440 [2,0,0,0,0,0|1,0,1]=4 945 B7R1.2 Cc1ccc(I)o1 Amb25723970 [2,0,0,0,0,0|1,0,1]=4 946 B7R1.2 Cc1ccc(N)o1 Amb10600629 [2,0,0,0,0,0|1,0,1]=4 947 B7R1.2 Cc1ccc(O)o1 Amb26645726 [2,0,0,0,0,0|1,0,1]=4 948 B7R1.2 Cc1ccc(S)o1 Amb25888543 [2,0,0,0,0,0|1,0,1]=4 949 B7R1.2 Cc1ccn(C)c1 Amb24333650 [2,0,0,0,0,0|2,0,0]=4 950 B7R1.2 Cc1ccn(C)n1 Amb1102391 [2,0,0,0,0,0|2,0,0]=4 951 B7R1.2 Cc1ccn(C)n1 Amb32652720 [2,0,0,0,0,0|2,0,0]=4 952 B7R1.2 Cc1cnc(C)o1 Amb23399817 [2,0,0,0,0,0|1,0,1]=4 953 B7R1.2 Cn1cc(O)cn1 Amb33549858 [2,0,0,0,0,0|2,0,0]=4 954 B7R1.2 Cn1cc(O)cn1 Amb33552990 [2,0,0,0,0,0|2,0,0]=4 955 B7R1.2 N=C1C=C(N)CO1 Amb27631497 [2,0,0,0,0,0|2,0,0]=4 956 B7R1.2 N=C1C=C(O)CO1 Amb27445689 [2,0,0,0,0,0|1,0,1]=4 957 B7R1.2 NC1=CC(=O)CC1 Amb9753541 [2,0,0,0,0,0|2,0,0]=4 958 B7R1.2 NC1=CC(=O)CS1 Amb22229937 [2,0,0,0,0,0|1,1,0]=4 959 B7R1.2 NC1=CC(=O)NO1 Amb20103209 [2,0,0,0,0,0|2,0,0]=4 960 B7R1.2 NC1=NC(=O)CO1 Amb9797441 [2,0,0,0,0,0|2,0,0]=4 961 B7R1.2 O=C1C=C(Br)CC1 Amb23399816 [2,0,0,0,0,0|2,0,0]=4 962 B7R1.2 O=C1C=C(Br)CO1 Amb10067500 [2,0,0,0,0,0|2,0,0]=4 963 B7R1.2 O=C1C=C(Cl)CC1 Amb9753542 [2,0,0,0,0,0|2,0,0]=4 964 B7R1.2 O=C1C=C(I)CO1 Amb2455617 [2,0,0,0,0,0|2,0,0]=4 965 B7R1.2 O=C1C=C(O)CC1 Amb9901808 [2,0,0,0,0,0|2,0,0]=4 966 B7R1.2 O=C1C=C(O)CO1 Amb628324 [2,0,0,0,0,0|1,0,1]=4 967 B7R1.2 O=C1C=C(S)CO1 Amb28323506 [2,0,0,0,0,0|1,1,0]=4 968 B7R1.2 O=C1C=CC(Br)O1 Amb22001603 [2,0,0,0,0,0|2,0,0]=4 969 B7R1.2 O=C1C=CC(Cl)O1 Amb27760027 [2,0,0,0,0,0|2,0,0]=4 970 B7R1.2 O=C1C=CC(F)O1 Amb27778280 [2,0,0,0,0,0|2,0,0]=4 971 B7R1.2 O=C1C=CC(O)O1 Amb24544763 [2,0,0,0,0,0|2,0,0]=4 972 B7R1.2 O=C1COC(=O)C1 Amb2721303 [2,0,0,0,0,0|1,0,1]=4 973 B7R1.2 O=C1COC(=O)N1 Amb1625991 [2,0,0,0,0,0|2,0,0]=4 974 B7R1.2 O=C1COC(=O)O1 Amb27837383 [2,0,0,0,0,0|2,0,0]=4 975 B7R1.2 O=C1COC(=O)[N-]1 Amb32656005 [2,0,0,0,0,0|2,0,0]=4 976 B7R1.2 O=C1COC(Br)=N1 Amb29849631 [2,0,0,0,0,0|2,0,0]=4 977 B7R1.2 O=C1COC(I)=N1 Amb29849639 [2,0,0,0,0,0|2,0,0]=4 978 B7R1.4 CC1=C(S)CCO1 Amb16232456 [2,0,0,0,0,0|0,1,1]=4 979 B7R1.4 CC1=CCCC1=O Amb8514958 [2,0,0,0,0,0|2,0,0]=4 980 B7R1.4 CC1=CCN=C1C Amb27463558 [2,0,0,0,0,0|2,0,0]=4 981 B7R1.4 CC1=CCOC1=O Amb16231256 [2,0,0,0,0,0|2,0,0]=4 982 B7R1.4 CC1C=COC1=O Amb27862334 [2,0,0,0,0,0|2,0,0]=4 983 B7R1.4 CC1NC=CC1=O Amb28201187 [2,0,0,0,0,0|1,0,0]=3 984 B7R1.4 CC1OC=CC1=O Amb28053998 [2,0,0,0,0,0|0,0,0]=2 985 B7R1.4 CC1OCCC1=O Amb2725497 [2,0,0,0,0,0|0,0,2]=4 986 B7R1.4 CC1OCNC1=O Amb28046854 [2,0,0,0,0,0|1,0,1]=4 987 B7R1.4 CN1CC=CC1=O Amb22372248 [2,0,0,0,0,0|2,0,0]=4 988 B7R1.4 CN1NC=CC1=O Amb22002214 [2,0,0,0,0,0|2,0,0]=4 989 B7R1.4 CN1SC=CC1=O Amb19133167 [2,0,0,0,0,0|1,1,0]=4 990 B7R1.4 CN1SC=CC1=O Amb20239425 [2,0,0,0,0,0|1,1,0]=4 991 B7R1.4 CN1SC=CC1=O Amb31289633 [2,0,0,0,0,0|1,1,0]=4 992 B7R1.4 Cc1ccoc1C Amb8515826 [2,0,0,0,0,0|1,0,1]=4 993 B7R1.4 Cc1cnoc1C Amb4007674 [2,0,0,0,0,0|2,0,0]=4 994 B7R1.4 Cc1cscc1O Amb26458243 [2,0,0,0,0,0|2,0,0]=4 995 B7R1.4 Cc1occc1Br Amb6572125 [2,0,0,0,0,0|1,0,1]=4 996 B7R1.4 Cc1occc1N Amb18203072 [2,0,0,0,0,0|1,0,1]=4 997 B7R1.4 Cc1occc1O Amb25178728 [2,0,0,0,0,0|0,0,1]=3 998 B7R1.4 Cc1occc1S Amb8393173 [2,0,0,0,0,0|0,1,1]=4 999 B7R1.4 Cc1oncc1Br Amb18199818 [2,0,0,0,0,0|2,0,0]=4 1000 B7R1.4 Cc1oncc1I Amb2723393 [2,0,0,0,0,0|2,0,0]=4 1001 B7R1.4 Cc1oncc1N Amb18119789 [2,0,0,0,0,0|2,0,0]=4 1002 B7R1.4 Cc1oncc1N Amb20668399 [2,0,0,0,0,0|2,0,0]=4 1003 B7R1.4 Cc1oncc1S Amb33361110 [2,0,0,0,0,0|1,1,0]=4 1004 B7R1.4 Cc1sccc1O Amb26621113 [2,0,0,0,0,0|0,1,1]=4 1005 B7R1.4 NC1=CCOC1=O Amb22234102 [2,0,0,0,0,0|2,0,0]=4 1006 B7R1.4 NC1=CONC1=O Amb18203033 [2,0,0,0,0,0|2,0,0]=4 1007 B7R1.4 O=C1C=CC=C1O Amb27835626 [2,0,0,0,0,0|1,0,1]=4 1008 B7R1.4 O=C1C=CCC1Cl Amb27482393 [2,0,0,0,0,0|2,0,0]=4 1009 B7R1.4 O=C1C=COC1O Amb27638452 [2,0,0,0,0,0|1,0,0]=3 1010 B7R1.4 O=C1CCC=C1Br Amb10067494 [2,0,0,0,0,0|2,0,0]=4 1011 B7R1.4 O=C1CCC=C1I Amb26585706 [2,0,0,0,0,0|2,0,0]=4 1012 B7R1.4 O=C1CCC=C1O Amb17593067 [2,0,0,0,0,0|1,0,0]=3 1013 B7R1.4 O=C1CNC=C1O Amb27962752 [2,0,0,0,0,0|1,0,0]=3 1014 B7R1.4 O=C1COC=C1O Amb27838226 [2,0,0,0,0,0|0,0,0]=2 1015 B7R1.4 O=C1NOC=C1Br Amb24641631 [2,0,0,0,0,0|2,0,0]=4 1016 B7R1.4 O=C1OCC=C1Br Amb10067498 [2,0,0,0,0,0|2,0,0]=4 1017 B7R1.4 O=C1OCC=C1Cl Amb23571857 [2,0,0,0,0,0|2,0,0]=4 1018 B7R1.4 O=C1OCC=C1F Amb28144969 [2,0,0,0,0,0|2,0,0]=4 1019 B7R1.4 Oc1cocc1O Amb28059187 [2,0,0,0,0,0|0,0,2]=4 1020 B9R0.6 C=C(C(=O)OCC)C(C)O Amb28138407 [0,1,1,0,0,0|1,0,1]=4 1021 B9R0.6 C=C(C(=O)OCC)[C@@H](C)O Amb27823217 [0,1,1,0,0,0|1,0,1]=4 1022 B9R0.6 C=C(C)C(=O)C(=O)OCC Amb22754344 [0,1,1,0,0,0|1,0,1]=4 1023 B9R0.6 C=C(C)C(O)C(=O)OCC Amb25768583 [0,1,1,0,0,0|1,0,1]=4 1024 B9R0.6 CCCC(=O)C(C)=C(C)C Amb28202368 [0,1,1,0,0,0|2,0,0]=4 1025 B9R0.6 CCNC(=O)C(C)=C(C)C Amb28281679 [0,1,1,0,0,0|2,0,0]=4 1026 B9R0.6 CCNC(=O)C(F)=C(C)C Amb27448738 [0,1,1,0,0,0|2,0,0]=4 1027 B9R0.6 CCNC(=O)\C(C)=C(/C)N Amb28067712 [0,1,1,0,0,0|2,0,0]=4 1028 B9R0.6 CCNC(=O)\C(C)=C(\C)N Amb27615878 [0,1,1,0,0,0|2,0,0]=4 1029 B9R0.6 CCOC(=O)C(=N)C(C)=O Amb24527856 [0,1,1,0,0,0|1,0,1]=4 1030 B9R0.6 CCOC(=O)C(=O)C(=O)O Amb27392066 [0,1,1,0,0,0|1,0,1]=4 1031 B9R0.6 CCOC(=O)C(=O)C(C)=O Amb17593616 [0,1,1,0,0,0|0,0,2]=4 1032 B9R0.6 CCOC(=O)C(=O)C(C)O Amb25146496 [0,1,1,0,0,0|0,0,2]=4 1033 B9R0.6 CCOC(=O)C(F)=C(C)C Amb25801998 [0,1,1,0,0,0|2,0,0]=4 1034 B9R0.6 CCOC(=O)C(O)C(=O)O Amb28050048 [0,1,1,0,0,0|1,0,1]=4 1035 B9R0.6 CCOC(=O)C(O)C(C)=O Amb17593653 [0,1,1,0,0,0|0,0,2]=4 1036 B9R0.6 CCOC(=O)C(O)C(C)O Amb17593683 [0,1,1,0,0,0|0,0,2]=4 1037 B9R0.6 CCOC(=O)[C@@H](O)[C@@H](C)O Amb17666646 [0,1,1,0,0,0|0,0,2]=4 1038 B9R0.6 CCOC(=O)[C@H](O)[C@@H](C)O Amb28370069 [0,1,1,0,0,0|0,0,2]=4 1039 B9R0.6 CCOC(=O)\C(Br)=C(/C)N Amb27436164 [0,1,1,0,0,0|2,0,0]=4 1040 B9R0.6 CCOC(=O)\C(C)=C(\C)N Amb17608153 [0,1,1,0,0,0|2,0,0]=4 1041 B9R0.6 C\C(=C/CN)C(=O)N(C)O Amb35608873 [0,1,1,0,0,0|2,0,0]=4 1042 B9R0.27 C=C(C(=O)CC)C(O)CC Amb27448648 [0,1,1,0,0,0|1,0,1]=4 1043 B9R0.27 C=CC(=O)C(=O)C(O)CO Amb27480845 [0,1,1,0,0,0|0,0,2]=4 1044 B9R0.27 CCC(=O)C(=O)C(=O)CC Amb27854652 [0,1,1,0,0,0|0,0,2]=4 1045 B9R0.27 CCC(=O)C(=O)C(O)CO Amb27192499 [0,1,1,0,0,0|0,0,2]=4 1046 B9R0.27 CCC(=O)C(=O)N(C)OC Amb27433283 [0,1,1,0,0,0|1,0,1]=4 1047 B9R0.27 CCC(=O)C(O)C(O)CO Amb27434229 [0,1,1,0,0,0|0,0,2]=4 1048 B9R0.27 CCC(=O)[C@@H](O)[C@H](O)CC Amb28049857 [0,1,1,0,0,0|0,0,2]=4 1049 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO Amb24647600 [0,1,1,0,0,0|0,0,2]=4 1050 B9R0.27 CCC(=O)\C(C)=C(\C)SC Amb27254589 [0,1,1,0,0,0|1,1,0]=4 1051 B9R0.27 COC(=O)C(=O)C(C)OC Amb28381261 [0,1,1,0,0,0|1,0,1]=4 1052 B9R0.27 O=CC(O)C(=O)C(O)CO Amb27954199 [0,1,1,0,0,0|1,0,1]=4 1053 B9R0.27 O=C[C@H](O)C(=O)[C@H](O)CO Amb28428603 [0,1,1,0,0,0|1,0,1]=4 1054 B9R0.28 CCC(=O)[C@@](C)(O)C(C)=O Amb28068854 [0,1,1,0,0,0|0,0,2]=4 1055 B9R0.28 CCC(=O)[C@](C)(O)C(C)=O Amb28059309 [0,1,1,0,0,0|0,0,2]=4 1056 B9R0.29 CCC(=O)\C(=N\O)C(C)=O Amb28201037 [0,1,1,0,0,0|0,0,1]=3 1057 B9R0.29 CNC(=O)\C(C#N)=C(/C)O Amb25338437 [0,1,1,0,0,0|2,0,0]=4 1058 B9R0.29 COC(=O)\C(=C\O)C(=O)O Amb28364051 [0,1,1,0,0,0|2,0,0]=4 1059 B9R0.29 COC(=O)\C(=C\O)C(C)=O Amb25373315 [0,1,1,0,0,0|1,0,1]=4 1060 B9R0.29 COC(=O)\C(=N/O)C(C)=O Amb25146484 [0,1,1,0,0,0|1,0,1]=4 1061 B9R0.29 COC(=O)\C(=N\O)C(C)=O Amb28253741 [0,1,1,0,0,0|1,0,1]=4 1062 B9R0.29 COC(=O)\C(=N\O)C(C)O Amb27457855 [0,1,1,0,0,0|1,0,1]=4 1063 B9R0.41 CC\C(C=O)=C(\C)C(=O)O Amb27217286 [0,1,1,0,0,0|2,0,0]=4 1064 B9R0.79 CC(=O)C(=O)\C(O)=C(/C)O Amb27243843 [0,1,1,0,0,0|0,0,1]=3 1065 B9R0.79 CC(=O)C(O)C(=O)C(C)C Amb27480227 [0,1,1,0,0,0|0,0,2]=4 1066 B9R0.79 CC(=O)\C(C)=C(/C)C(C)O Amb27828869 [0,1,1,0,0,0|2,0,0]=4 1067 B9R0.79 CC(C)C(=O)C(=O)C(=O)O Amb31099538 [0,1,1,0,0,0|1,0,1]=4 1068 B9R0.79 C\C(O)=C(\C)C(=O)C(C)C Amb27859396 [0,1,1,0,0,0|1,0,0]=3 1069 B9R0.8 C=C(C=O)C(C)OCOC Amb27263024 [0,1,1,0,0,0|1,0,1]=4 1070 B9R0.8 C=CCOC(C)C(=O)C=C Amb27828823 [0,1,1,0,0,0|1,0,1]=4 1071 B9R0.12 C=CC(=O)C(CC)OCC Amb27880247 [0,1,1,0,0,0|1,0,1]=4 1072 B9R0.19 CCOC(C)C(C)(O)C=O Amb27849026 [0,1,1,0,0,0|0,0,2]=4 1073 B9R0.23 CC(=O)OC(C)C(=O)C=O Amb27852090 [0,1,1,0,0,0|0,0,1]=3 1074 B9R0.23 CC(=O)OC(C)C(=O)NN Amb27769604 [0,1,1,0,0,0|2,0,0]=4 1075 B9R0.23 CCC(=O)C(C)OC(C)=O Amb25909694 [0,1,1,0,0,0|1,0,1]=4 1076 B9R0.23 CNC(=O)C(C)OC(C)=O Amb27168697 [0,1,1,0,0,0|2,0,0]=4 1077 B9R0.23 CNC(=O)[C@@H](C)OC(C)=O Amb27253659 [0,1,1,0,0,0|2,0,0]=4 1078 B9R0.23 COC(=O)[C@@H](C)OC(C)=O Amb28314265 [0,1,1,0,0,0|2,0,0]=4 1079 B9R0.23 C\C=C(\Br)C(C)OC(C)=O Amb28320436 [0,1,1,0,0,0|2,0,0]=4 1080 B9R0.35 C=CCC(=O)C(C)OCC Amb27254434 [0,1,1,0,0,0|1,0,1]=4 1081 B9R0.35 CCOC(=O)C(=O)CC=O Amb27592866 [0,1,1,0,0,0|1,0,1]=4 1082 B9R0.35 CCOC(=O)C(=S)NC=O Amb24469987 [0,1,1,0,0,0|1,1,0]=4 1083 B9R0.35 CCOC(=O)[C@H](O)CC=O Amb28046282 [0,1,1,0,0,0|1,0,1]=4 1084 B9R0.35 CCOC(=O)\C(C)=C/C=O Amb19516315 [0,1,1,0,0,0|2,0,0]=4 1085 B9R0.35 CCOC(=O)\C(F)=C/C=O Amb28074735 [0,1,1,0,0,0|2,0,0]=4 1086 B9R0.35 CCOC(=O)\C(O)=C\C#N Amb27272601 [0,1,1,0,0,0|2,0,0]=4 1087 B9R0.35 CCOC(C)C(=O)COC Amb28048621 [0,1,1,0,0,0|0,0,2]=4 1088 B9R0.35 CCOC(C)C(=O)NOC Amb27449081 [0,1,1,0,0,0|1,0,1]=4 1089 B9R0.37 CCOC(=O)C(C=O)OC Amb28077366 [0,1,1,0,0,0|1,0,1]=4 1090 B9R0.60 CCOC(C)(C)C(=O)C=O Amb27751291 [0,1,1,0,0,0|0,0,2]=4 1091 B9R0.60 CCOC(C)(C)C(=O)NO Amb27226781 [0,1,1,0,0,0|1,0,1]=4 1092 B9R0.22 C\C(=C/Cl)CC(C)(C)C=O Amb26637127 [0,1,1,0,0,0|2,0,0]=4 1093 B9R0.26 COC(C=O)OC(C)C=O Amb27751306 [0,1,1,0,0,0|0,0,2]=4 1094 B9R0.26 CO[C@@H](C=O)O[C@H](C)C=O Amb27488224 [0,1,1,0,0,0|0,0,2]=4 1095 B9R0.34 CC\C=C(/C)C[C@@H](C)C=O Amb27838144 [0,1,1,0,0,0|2,0,0]=4 1096 B9R0.42 C=C(C)C(=O)OC(C)C=O Amb27762498 [0,1,1,0,0,0|2,0,0]=4 1097 B9R0.42 C=CC(=O)OC(C)C(=O)O Amb27592472 [0,1,1,0,0,0|2,0,0]=4 1098 B9R0.42 C=CC(=O)OC(C)C(C)=O Amb28126623 [0,1,1,0,0,0|2,0,0]=4 1099 B9R0.42 C=CC(C)O[C@H](C)C(=O)O Amb27863058 [0,1,1,0,0,0|1,0,1]=4 1100 B9R0.42 C=C\C(C)=C/[C@@H](C)C(C)=O Amb25991210 [0,1,1,0,0,0|2,0,0]=4 1101 B9R0.42 CC(=O)C(C)\C=C(/C)C=O Amb27753996 [0,1,1,0,0,0|1,0,1]=4 1102 B9R0.42 CC(=O)C(C)\C=C(\C)CO Amb27490625 [0,1,1,0,0,0|1,0,1]=4 1103 B9R0.42 CC(C=O)OC(C)C(C)O Amb27392521 [0,1,1,0,0,0|0,0,2]=4 1104 B9R0.42 CC(CO)OC(C)C(=O)O Amb27664032 [0,1,1,0,0,0|0,0,2]=4 1105 B9R0.42 CC(CO)O[C@@H](C)C(=O)O Amb28255959 [0,1,1,0,0,0|0,0,2]=4 1106 B9R0.42 CC(CO)O[C@H](C)C(=O)O Amb27450794 [0,1,1,0,0,0|0,0,2]=4 1107 B9R0.42 CC(OC(=O)CO)C(N)=O Amb28126899 [0,1,1,0,0,0|1,0,1]=4 1108 B9R1.22 C#Cc1cc(C)oc1C Amb33344040 [1,1,0,0,0,0|1,0,1]=4 1109 B9R1.22 C=Cc1cc(C)oc1C Amb26653317 [1,1,0,0,0,0|1,0,1]=4 1110 B9R1.22 CC1=CC(=O)O[C@H]1CO Amb27399693 [1,1,0,0,0,0|2,0,0]=4 1111 B9R1.22 CC1C=C(CN)N(C)O1 Amb27423610 [1,1,0,0,0,0|2,0,0]=4 1112 B9R1.22 CCC1OC(=O)CC1=O Amb27249611 [1,1,0,0,0,0|1,0,1]=4 1113 B9R1.22 CCC1OC(N)=NC1=O Amb27621148 [1,1,0,0,0,0|2,0,0]=4 1114 B9R1.22 CCN1NC(C)=CC1=O Amb24061984 [1,1,0,0,0,0|2,0,0]=4 1115 B9R1.22 CCN1OC(C)=CC1=O Amb28049290 [1,1,0,0,0,0|1,0,0]=3 1116 B9R1.22 CN1OC(=O)C=C1C=O Amb28129971 [1,1,0,0,0,0|2,0,0]=4 1117 B9R1.22 COC1=CC(C)NC1=O Amb28040873 [1,1,0,0,0,0|2,0,0]=4 1118 B9R1.22 COC1OC(=O)C=C1Br Amb22490505 [1,1,0,0,0,0|2,0,0]=4 1119 B9R1.22 COc1cc(C)oc1C Amb27622626 [1,1,0,0,0,0|0,0,1]=3 1120 B9R1.22 C[C@H]1C[C@@H](C)C=C1CO Amb27488142 [1,1,0,0,0,0|1,0,1]=4 1121 B9R1.22 C\C=C1\CC(C)=CC1=O Amb24714919 [1,1,0,0,0,0|1,0,1]=4 1122 B9R1.22 Cc1cc(C#N)c(C)o1 Amb25954176 [1,1,0,0,0,0|1,0,1]=4 1123 B9R1.22 Cc1cc(C=O)c(C)o1 Amb3680124 [1,1,0,0,0,0|0,0,1]=3 1124 B9R1.22 Cc1cc(C=O)c(C)s1 Amb2721760 [1,1,0,0,0,0|0,1,1]=4 1125 B9R1.22 Cc1cc(C=O)c(F)o1 Amb18832649 [1,1,0,0,0,0|1,0,1]=4 1126 B9R1.22 Cc1cc(C=O)c(N)o1 Amb18832838 [1,1,0,0,0,0|1,0,1]=4 1127 B9R1.22 Cc1cc(C=O)n(C)n1 Amb1945989 [1,1,0,0,0,0|2,0,0]=4 1128 B9R1.22 Cc1cc(CBr)c(C)o1 Amb18325178 [1,1,0,0,0,0|1,0,1]=4 1129 B9R1.22 Cc1cc(CCl)c(C)o1 Amb8999038 [1,1,0,0,0,0|1,0,1]=4 1130 B9R1.22 Cc1cc(CN)c(C)o1 Amb19515201 [1,1,0,0,0,0|1,0,1]=4 1131 B9R1.22 Cc1cc(CN)c(C)o1 Amb2723023 [1,1,0,0,0,0|1,0,1]=4 1132 B9R1.22 Cc1cc(CO)c(Br)o1 Amb27428221 [1,1,0,0,0,0|1,0,1]=4 1133 B9R1.22 Cc1cc(CO)c(C)o1 Amb9004306 [1,1,0,0,0,0|0,0,1]=3 1134 B9R1.22 Cc1cc(CO)c(C)s1 Amb8846380 [1,1,0,0,0,0|0,1,1]=4 1135 B9R1.22 Cc1cc(CS)c(C)o1 Amb33342217 [1,1,0,0,0,0|0,1,1]=4 1136 B9R1.22 Cc1cn(C)cc1CO Amb32698558 [1,1,0,0,0,0|2,0,0]=4 1137 B9R1.22 Cc1nc(C=O)c(C)o1 Amb2700362 [1,1,0,0,0,0|1,0,1]=4 1138 B9R1.22 Cc1nc(CO)c(C)o1 Amb2723403 [1,1,0,0,0,0|1,0,1]=4 1139 B9R1.22 Cc1nn(C)cc1CO Amb1933751 [1,1,0,0,0,0|2,0,0]=4 1140 B9R1.22 Cc1nn(C)cc1NO Amb27482883 [1,1,0,0,0,0|2,0,0]=4 1141 B9R1.22 Cc1oc(Br)cc1C=O Amb18187311 [1,1,0,0,0,0|1,0,1]=4 1142 B9R1.22 Cc1oc(Br)cc1CO Amb27805528 [1,1,0,0,0,0|1,0,1]=4 1143 B9R1.22 Cc1oc(N)cc1C=O Amb18832842 [1,1,0,0,0,0|1,0,1]=4 1144 B9R1.22 [C-]#[N+]c1cc(C)oc1C Amb33344386 [1,1,0,0,0,0|1,0,1]=4 1145 B9R1.23 CC1OC(CI)CC1=O Amb27842117 [1,1,0,0,0,0|0,0,2]=4 1146 B9R1.23 CC1OC(CO)CC1=O Amb28122421 [1,1,0,0,0,0|0,0,2]=4 1147 B9R1.23 CCC1=CC(=O)C(C)S1 Amb28421922 [1,1,0,0,0,0|0,1,0]=3 1148 B9R1.23 CCC1NC(=O)C(C)O1 Amb27598696 [1,1,0,0,0,0|1,0,1]=4 1149 B9R1.23 CC[C@@H]1NC(=O)[C@@H](C)O1 Amb27422034 [1,1,0,0,0,0|1,0,1]=4 1150 B9R1.23 CC[C@@H]1NC(=O)[C@H](C)O1 Amb27436685 [1,1,0,0,0,0|1,0,1]=4 1151 B9R1.23 CCc1cc(C)c(C)o1 Amb27264803 [1,1,0,0,0,0|1,0,1]=4 1152 B9R1.23 CCc1cc(S)c(C)o1 Amb27240758 [1,1,0,0,0,0|0,1,1]=4 1153 B9R1.23 CN1OC(CN)=CC1=O Amb25989936 [1,1,0,0,0,0|1,0,0]=3 1154 B9R1.23 CNc1cc(C)c(C)o1 Amb27265811 [1,1,0,0,0,0|1,0,1]=4 1155 B9R1.23 COC1=CC(=O)N(C)C1 Amb28458239 [1,1,0,0,0,0|2,0,0]=4 1156 B9R1.23 COC1=CC(=O)[C@H](O)C1 Amb27838652 [1,1,0,0,0,0|2,0,0]=4 1157 B9R1.23 C[C@@H]1O[C@@H](CI)CC1=O Amb27857507 [1,1,0,0,0,0|0,0,2]=4 1158 B9R1.23 C[C@@H]1O[C@H](CI)CC1=O Amb27486233 [1,1,0,0,0,0|0,0,2]=4 1159 B9R1.23 C[C@H]1O[C@H](CI)CC1=O Amb28053405 [1,1,0,0,0,0|0,0,2]=4 1160 B9R1.23 Cc1cc(CO)oc1C Amb26425662 [1,1,0,0,0,0|1,0,1]=4 1161 B9R1.23 Cc1oc(CCl)cc1Br Amb28351465 [1,1,0,0,0,0|1,0,1]=4 1162 B9R1.23 Cc1oc(CN)cc1Br Amb23537726 [1,1,0,0,0,0|1,0,1]=4 1163 B9R1.23 Cc1oc(CN)cc1N Amb18832726 [1,1,0,0,0,0|1,0,1]=4 1164 B9R1.23 O=C1OC(CO)C=C1Cl Amb27466585 [1,1,0,0,0,0|2,0,0]=4 1165 B9R1.23 O=C1OC(CO)C=C1O Amb27603990 [1,1,0,0,0,0|1,0,0]=3 1166 B9R1.23 O=C1O[C@H](CO)C=C1O Amb28046806 [1,1,0,0,0,0|1,0,0]=3 1167 B9R1.38 CC1(C)OC(=N)C=C1N Amb17593313 [1,1,0,0,0,0|2,0,0]=4 1168 B9R1.38 CC1(C)OC(=O)C=C1N Amb28193555 [1,1,0,0,0,0|2,0,0]=4 1169 B9R1.38 CC1(C)OC(=O)C=C1O Amb28060059 [1,1,0,0,0,0|1,0,1]=4 1170 B9R1.38 CC1(C)OC(=O)CC1=O Amb27838818 [1,1,0,0,0,0|1,0,1]=4 1171 B9R1.38 CC1(C)OC(=O)NC1=O Amb6296615 [1,1,0,0,0,0|2,0,0]=4 1172 B9R1.38 CC1(C)OC(=S)NC1=O Amb16226161 [1,1,0,0,0,0|2,0,0]=4 1173 B9R1.38 CC1=CC(=O)C(C)(C)O1 Amb25319517 [1,1,0,0,0,0|0,0,0]=2 1174 B9R1.38 CC1=CC(=O)C(C)(O)C1 Amb27838672 [1,1,0,0,0,0|1,0,0]=3 1175 B9R1.38 CC1=CC(=O)C(C)(O)N1 Amb27491474 [1,1,0,0,0,0|1,0,0]=3 1176 B9R1.38 CC1=CC(=O)OC1(C)C Amb32664388 [1,1,0,0,0,0|2,0,0]=4 1177 B9R1.38 CC1=CC(C)=NC1(C)C Amb25844089 [1,1,0,0,0,0|2,0,0]=4 1178 B9R1.38 CC1=NC(C)(C)C(=O)N1 Amb27166126 [1,1,0,0,0,0|2,0,0]=4 1179 B9R1.27 CC1=C(CO)C(=O)OC1 Amb27430811 [1,1,0,0,0,0|2,0,0]=4 1180 B9R1.27 CC1=C(CO)C(C)CO1 Amb27396212 [1,1,0,0,0,0|1,0,1]=4 1181 B9R1.27 COc1c(N)noc1C Amb27949464 [1,1,0,0,0,0|2,0,0]=4 1182 B9R1.27 Cc1coc(C)c1C=O Amb10982463 [1,1,0,0,0,0|1,0,1]=4 1183 B9R1.27 Cc1noc(C)c1CO Amb2411534 [1,1,0,0,0,0|2,0,0]=4 1184 B9R1.27 Cc1onc(Br)c1CO Amb25356435 [1,1,0,0,0,0|2,0,0]=4 1185 B9R1.27 Cn1ncc(O)c1C=O Amb18832773 [1,1,0,0,0,0|2,0,0]=4 1186 B9R1.27 N#CC1=C(N)OCC1=O Amb27468613 [1,1,0,0,0,0|2,0,0]=4 1187 B9R1.27 N=C1OCC(=O)\C1=N/O Amb27844279 [1,1,0,0,0,0|1,0,0]=3 1188 B9R1.27 N=C1OCC(=O)\C1=N\O Amb27979896 [1,1,0,0,0,0|1,0,0]=3 1189 B9R1.27 N=C1SCC(=O)\C1=N/O Amb28202157 [1,1,0,0,0,0|1,1,0]=4 1190 B9R1.27 N\C=C1\C(=O)COC1=O Amb25209582 [1,1,0,0,0,0|2,0,0]=4 1191 B9R1.27 O=C1COC(=O)N1CO Amb26973184 [1,1,0,0,0,0|2,0,0]=4 1192 B9R1.27 O=C1CSC(=O)\C1=C/O Amb24518310 [1,1,0,0,0,0|1,1,0]=4 1193 B9R1.132 CC1=C(CN)ONC1=O Amb18832638 [1,1,0,0,0,0|2,0,0]=4 1194 B9R1.132 CCC1=C(O)C(=O)CC1 Amb2695590 [1,1,0,0,0,0|1,0,0]=3 1195 B9R1.132 CCN1OC=C(Br)C1=O Amb28349801 [1,1,0,0,0,0|2,0,0]=4 1196 B9R1.132 CNC1=C(C)C(=O)CC1 Amb25146177 [1,1,0,0,0,0|2,0,0]=4 1197 B9R1.132 COC1=C(Br)C(=O)CC1 Amb22170288 [1,1,0,0,0,0|2,0,0]=4 1198 B9R1.132 COC1=C(Cl)C(=O)CC1 Amb28321871 [1,1,0,0,0,0|2,0,0]=4 1199 B9R1.132 COC1=C(O)C(=O)CC1 Amb26390854 [1,1,0,0,0,0|1,0,0]=3 1200 B9R1.132 COC1=CCC(C)C1=O Amb27267059 [1,1,0,0,0,0|1,0,0]=3 1201 B9R1.132 Cc1occ(C=O)c1F Amb18832651 [1,1,0,0,0,0|1,0,1]=4 1202 B9R1.132 Cc1onc(C=O)c1C Amb18832863 [1,1,0,0,0,0|2,0,0]=4 1203 B9R1.132 O=C1CCC(CO)=C1O Amb27261379 [1,1,0,0,0,0|1,0,0]=3 1204 B9R1.138 CC1(C)C=CC(=O)C1=O Amb28054370 [1,1,0,0,0,0|1,0,1]=4 1205 B9R1.138 CC1(C)OCC(O)C1=O Amb27468092 [1,1,0,0,0,0|0,0,2]=4 1206 B9R1.138 CC1(O)OC[C@H](O)C1=O Amb27180421 [1,1,0,0,0,0|0,0,2]=4 1207 B9R1.138 CC1=CCC(C)(Cl)C1=O Amb27409590 [1,1,0,0,0,0|2,0,0]=4 1208 B9R1.138 CC1=NOC(C)(C)C1=O Amb27838788 [1,1,0,0,0,0|2,0,0]=4 1209 B9R1.138 C[C@@]1(O)CC=C(O)C1=O Amb28351523 [1,1,0,0,0,0|1,0,0]=3 1210 B9R1.138 C[C@@]1(O)OC[C@H](O)C1=O Amb28202135 [1,1,0,0,0,0|0,0,2]=4 1211 B9R1.138 C[C@]1(O)OC[C@H](O)C1=O Amb27262924 [1,1,0,0,0,0|0,0,2]=4 1212 B9R1.28 COC1=C(C)C(=O)C1=O Amb28074604 [0,1,0,0,1,0|0,0,2]=4 1213 B9R1.28 C\C=C1/C(=O)C(C)C1C Amb27784932 [0,1,0,0,1,0|1,0,1]=4 1214 B9R1.28 C\C=C1\C(=O)[C@H](C)[C@H]1C Amb28320373 [0,1,0,0,1,0|1,0,1]=4 1215 B9R1.28 NCC1=C(O)C(=O)C1=O Amb28186745 [0,1,0,0,1,0|1,0,1]=4 1216 B9R1.140 CC1=C(C)C(F)(F)C1=O Amb27954074 [0,1,0,0,1,0|2,0,0]=4 1217 B11R1.8 CC1=CC(=O)C(O)=C(CN)O1 Amb27658802 [0,1,0,0,0,1|0,0,1]=3 1218 B11R1.8 CC1=CC(=O)C(O)=C(CO)O1 Amb18200287 [0,1,0,0,0,1|0,0,1]=3 1219 B11R1.8 CC1=C\C(=N/O)C(=O)C(C)=C1 Amb28246535 [0,1,0,0,0,1|1,0,1]=4 1220 B11R1.8 CC1=NN(C)C(=O)C(CO)=C1 Amb18212230 [0,1,0,0,0,1|2,0,0]=4 1221 B11R1.8 CCC1=C(C)C(=O)CC(C)C1 Amb27474351 [0,1,0,0,0,1|2,0,0]=4 1222 B11R1.8 CCC1=C(C)C(=O)CC(C)O1 Amb28253339 [0,1,0,0,0,1|1,0,0]=3 1223 B11R1.8 COC1=C(C)C(=O)CC(C)C1 Amb26573654 [0,1,0,0,0,1|2,0,0]=4 1224 B11R1.8 Cc1cc(C)c(O)c(C=O)c1 Amb2721828 [0,1,0,0,0,1|1,0,1]=4 1225 B11R1.8 Cc1cc(C=O)c(O)c(C)n1 Amb25921404 [0,1,0,0,0,1|1,0,1]=4 1226 B11R1.14 CC1=C(O)C(=O)C=C(CCl)O1 Amb27858616 [0,1,0,0,0,1|0,0,1]=3 1227 B11R1.14 CC1OC(CO)CC(=O)C1O Amb27954129 [0,1,0,0,0,1|0,0,2]=4 1228 B11R1.14 CCC1=CC(=O)C(O)=C(C)O1 Amb27802506 [0,1,0,0,0,1|0,0,1]=3 1229 B11R1.14 COC1CC(=O)C(O)C(C)O1 Amb28202139 [0,1,0,0,0,1|0,0,2]=4 1230 B11R1.14 CO[C@H]1CC(=O)[C@@H](O)[C@H](C)O1 Amb28202359 [0,1,0,0,0,1|0,0,2]=4 1231 B11R1.14 NC1=C(O)C(=O)C=C(CO)O1 Amb24738190 [0,1,0,0,0,1|1,0,1]=4 1232 B11R1.14 NCC1=CC(=O)C(O)=C(Br)O1 Amb28065106 [0,1,0,0,0,1|1,0,1]=4 1233 B11R1.14 O=C1C(O)=CC(CO)OC1O Amb26889201 [0,1,0,0,0,1|1,0,1]=4 1234 B11R1.14 O=C1C=C(CO)OC(Cl)=C1O Amb22732880 [0,1,0,0,0,1|1,0,1]=4 1235 B11R1.32 CC1=C(C)C(=O)C(C)C(C)C1 Amb27211961 [0,1,0,0,0,1|2,0,0]=4 1236 B11R1.464 CC1=CC(=O)\C(=N/O)C(C)=C1 Amb26005332 [0,1,0,0,0,1|1,0,1]=4 1237 B11R1.464 CC1=CC(C)=C(CO)C(=O)N1 Amb18922470 [0,1,0,0,0,1|1,0,1]=4 1238 B11R1.464 CC1CC(C)\C(=C\O)C(=O)O1 Amb24565896 [0,1,0,0,0,1|1,0,1]=4 1239 B11R1.464 COC1=C(C)CC(C)CC1=O Amb27948683 [0,1,0,0,0,1|1,0,0]=3 1240 B11R1.464 Cc1cc(C)c(C=O)c(O)c1 Amb2609102 [0,1,0,0,0,1|1,0,1]=4 1241 B11R1.1361 CC1(C)CC(=O)C(=O)C(=O)O1 Amb28284887 [0,1,0,0,0,1|1,0,1]=4 1242 B11R1.1361 CC1(C)OC(=O)C(=O)C(=O)O1 Amb28383140 [0,1,0,0,0,1|1,0,1]=4 1243 B11R1.1361 CC1(C)OC(=O)C(O)C(=O)O1 Amb27751769 [0,1,0,0,0,1|1,0,1]=4 1244 B11R1.1361 CC1=C(Br)C(=O)CC(C)(C)C1 Amb8394155 [0,1,0,0,0,1|2,0,0]=4 1245 B11R1.1361 CC1=C(C)C(=O)OC(C)(C)O1 Amb22228220 [0,1,0,0,0,1|1,0,0]=3 1246 B11R1.1361 CC1=C(Cl)C(=O)CC(C)(C)C1 Amb8394154 [0,1,0,0,0,1|2,0,0]=4 1247 B11R1.1361 CC1=C(F)C(=O)CC(C)(C)C1 Amb25808006 [0,1,0,0,0,1|2,0,0]=4 1248 B11R1.1361 CC1=C(F)C(=O)OC(C)(C)O1 Amb27471758 [0,1,0,0,0,1|1,0,0]=3 1249 B11R1.1361 CC1=C(O)C(=O)CC(C)(C)C1 Amb17844351 [0,1,0,0,0,1|1,0,0]=3 1250 B11R1.1361 CC1=CC(C)(C)CC(=O)C1=O Amb28194604 [0,1,0,0,0,1|1,0,1]=4 1251 B11R1.165 CC1(C)OC(=O)C(=O)CC1=O Amb28285009 [0,1,0,0,0,1|1,0,1]=4 1252 B11R1.165 CC1=C(C)NC(=O)C(C)(C)C1 Amb27176412 [0,1,0,0,0,1|2,0,0]=4 1253 B11R1.165 CC1=CC(C)(C)C(=O)C=C1O Amb27164526 [0,1,0,0,0,1|1,0,0]=3 1254 B11R1.165 CC1OC(C)(C)C(=O)OC1=O Amb25241131 [0,1,0,0,0,1|0,0,2]=4 1255 B11R1.165 CN1OC(C)(C)C(=O)NC1=O Amb28397969 [0,1,0,0,0,1|1,0,1]=4 1256 B11R1.277 CCC1OC(C)C(=O)OC1=O Amb26477836 [0,1,0,0,0,1|0,0,2]=4 1257 B11R1.277 COC1=C(C)N=C(C)C(=O)N1 Amb26554610 [0,1,0,0,0,1|1,0,1]=4 1258 B11R1.277 COC1OC(C)C(=O)C=C1C Amb27823665 [0,1,0,0,0,1|1,0,1]=4 1259 B11R1.277 COC1OC(C)C(=O)CC1O Amb28351408 [0,1,0,0,0,1|0,0,2]=4 1260 B11R1.277 CO[C@@H]1O[C@@H](C)C(=O)C[C@@H]1O Amb27262843 [0,1,0,0,0,1|0,0,2]=4 1261 B11R1.277 CO[C@H]1O[C@H](C)C(=O)C[C@@H]1O Amb27427670 [0,1,0,0,0,1|0,0,2]=4 1262 B11R1.277 C\C=C1/CC(C)C(=O)NC1=O Amb27229103 [0,1,0,0,0,1|1,0,1]=4 1263 B11R1.277 Cc1cc(C)c(C=O)cc1O Amb27176406 [0,1,0,0,0,1|1,0,1]=4 1264 B11R1.72 CC1CCC(C)\C(=C/O)C1=O Amb28144045 [0,1,0,0,0,1|1,0,1]=4 1265 B11R1.72 COC1=C(C)NC=C(C)C1=O Amb27176621 [0,1,0,0,0,1|1,0,1]=4 1266 B11R1.72 COC1=C(C)OC=C(Cl)C1=O Amb27793679 [0,1,0,0,0,1|1,0,1]=4 1267 B11R1.72 COC1=C(C)OC=C(O)C1=O Amb27409597 [0,1,0,0,0,1|1,0,1]=4 1268 B11R1.72 COC1=C(C)OCC(O)C1=O Amb27599487 [0,1,0,0,0,1|1,0,0]=3 1269 B11R1.72 COC1=C(C)OC[C@H](O)C1=O Amb25150320 [0,1,0,0,0,1|1,0,0]=3 1270 B11R1.72 Cc1ccc(C)c(C=O)c1O Amb2611896 [0,1,0,0,0,1|1,0,1]=4 1271 B11R1.278 CC1=C(O)C(=O)C(CN)=CN1 Amb28281748 [0,1,0,0,0,1|1,0,1]=4 1272 B11R1.278 CC1=COC(CO)=C(C)C1=O Amb28399378 [0,1,0,0,0,1|1,0,1]=4 1273 B11R1.278 CCC1=C(O)C(=O)C(Cl)=CO1 Amb28199716 [0,1,0,0,0,1|1,0,1]=4 1274 B11R1.278 COC1=C(C)C(=O)C(C)CC1 Amb26844338 [0,1,0,0,0,1|2,0,0]=4 1275 B11R1.278 COC1=C(O)C(=O)C(O)CO1 Amb24364676 [0,1,0,0,0,1|1,0,0]=3 1276 B11R1.278 COC1=COC(C)=C(Br)C1=O Amb27851470 [0,1,0,0,0,1|1,0,1]=4 1277 B11R1.680 CC1=C(O)C(=O)C(C)(O)CC1 Amb24486018 [0,1,0,0,0,1|1,0,0]=3 1278 B11R1.186 CCCC1=C(O)C(=O)C(C)C1 Amb27164674 [0,2,0,0,0,0|1,0,0]=3 1279 B11R1.186 CCCC1=C(O)C(=O)C(C)O1 Amb27432562 [0,2,0,0,0,0|0,0,0]=2 1280 B11R1.186 CCCC1CC(C)=C(O)C1=O Amb27599474 [0,2,0,0,0,0|1,0,0]=3 1281 B11R1.186 CCCC1OC(C)=C(O)C1=O Amb26020806 [0,2,0,0,0,0|0,0,0]=2 1282 B11R1.186 CCNC1=C(O)C(=O)C(C)C1 Amb27606488 [0,2,0,0,0,0|1,0,0]=3 1283 B11R1.186 CCNC1CC(C)=C(O)C1=O Amb27223923 [0,2,0,0,0,0|1,0,0]=3 1284 B11R1.470 CC1C(=O)\C(=N\O)C(C)C1=O Amb27427683 [0,2,0,0,0,0|1,0,1]=4 1285 B11R1.470 COC1=C(C)C(C)C(C)C1=O Amb27427258 [0,2,0,0,0,0|1,0,0]=3 1286 B11R1.470 C\C=C1\C(=O)C(O)=C(C)[C@H]1C Amb27591598 [0,2,0,0,0,0|1,0,1]=4 1287 B11R1.672 CC(=O)N1OC(C)=C(Br)C1=O Amb22742239 [0,2,0,0,0,0|2,0,0]=4 1288 B11R1.672 CC(=O)c1oc(C)c(Cl)c1O Amb25773412 [0,2,0,0,0,0|1,0,1]=4 1289 B11R1.672 CC1=C(O)C(=O)C(C(C)C)O1 Amb28284885 [0,2,0,0,0,0|0,0,0]=2 1290 B11R1.672 CC1=C(O)C(=O)\C(=C(/C)O)C1 Amb27432686 [0,2,0,0,0,0|1,0,1]=4 1291 B11R1.976 CCc1oc(C)c(C)c1CO Amb33298855 [0,2,0,0,0,0|1,0,1]=4 1292 B11R1.977 CCC1CC(OC)=C(C)C1=O Amb28285007 [0,2,0,0,0,0|2,0,0]=4 1293 B11R1.978 CCC1OC(=O)C(OC)=C1F Amb27848543 [0,2,0,0,0,0|2,0,0]=4 1294 B11R1.978 COC1=C(C)CC(C=O)C1=O Amb28185840 [0,2,0,0,0,0|1,0,1]=4 1295 B11R1.978 CO[C@@H]1OC(C)=C(CO)[C@H]1C Amb27775785 [0,2,0,0,0,0|1,0,1]=4 1296 B11R1.1330 C=C1C(C)=C(C)C(=O)C1(C)C Amb26866278 [0,2,0,0,0,0|2,0,0]=4 1297 B11R1.1330 CC1=C(C)C(C)C(C)(Cl)C1=O Amb27433126 [0,2,0,0,0,0|2,0,0]=4 1298 B11R1.1330 CC1=C(C)C(Cl)C(C)(Cl)C1=O Amb27454992 [0,2,0,0,0,0|2,0,0]=4 1299 B11R1.1330 CC1=C(O)C(=O)C(C)(C)C1O Amb28351639 [0,2,0,0,0,0|1,0,0]=3 1300 B11R1.426 CC1CC(C)(C)C(=O)\C1=C\O Amb27623457 [0,2,0,0,0,0|1,0,1]=4 1301 B11R1.598 CC1=C(CCO)C(=O)N(C)N1 Amb19894661 [0,2,0,0,0,0|2,0,0]=4 1302 B11R1.598 CCCC1=C(C)CC(C)C1=O Amb27409633 [0,2,0,0,0,0|2,0,0]=4 1303 B11R1.598 Cc1oc(C)c(N=C=O)c1C Amb27949814 [0,2,0,0,0,0|1,0,1]=4 1304 B11R1.673 CC(=O)C1=C(C)N(C)OC1C Amb26396106 [0,2,0,0,0,0|2,0,0]=4 1305 B11R1.673 CC(=O)C1=C(C)OC(C)C1=O Amb21963406 [0,2,0,0,0,0|0,0,1]=3 1306 B11R1.673 CC(=O)C1=C(O)OC(C)C1=O Amb27750251 [0,2,0,0,0,0|1,0,1]=4 1307 B11R1.673 CC(=O)c1c(C)oc(C)c1C Amb24657270 [0,2,0,0,0,0|1,0,1]=4 1308 B11R1.673 CC(=O)c1c(O)c(C)nn1C Amb18200783 [0,2,0,0,0,0|2,0,0]=4 1309 B11R1.673 CC1=C(C(=O)O)[C@@H](C)OC1=O Amb27462910 [0,2,0,0,0,0|2,0,0]=4 1310 B11R1.673 CC1=C(C(=O)O)[C@H](C)OC1=O Amb27760421 [0,2,0,0,0,0|2,0,0]=4 1311 B11R1.673 CC1=C(C(C)C)C(=O)C(C)C1 Amb28351641 [0,2,0,0,0,0|2,0,0]=4 1312 B11R1.673 CC1=NN(C)C(=O)\C1=C(/C)O Amb24563503 [0,2,0,0,0,0|2,0,0]=4 1313 B11R1.673 C\C(N)=C1\C(=O)OC(C)C1=O Amb27984660 [0,2,0,0,0,0|2,0,0]=4 1314 B11R1.673 C\C(O)=C1/C(=O)CC(C)C1=O Amb28285004 [0,2,0,0,0,0|2,0,0]=4 1315 B11R1.673 C\C(O)=C1\C(=O)CC(C)C1=O Amb28429549 [0,2,0,0,0,0|2,0,0]=4 1316 B11R1.673 C\C(O)=C1\C(=O)NC(C)C1=O Amb27600059 [0,2,0,0,0,0|2,0,0]=4 1317 B11R1.673 Cc1nn(C)c(C(=O)O)c1O Amb18200249 [0,2,0,0,0,0|2,0,0]=4 1318 B11R1.673 Cc1oc(C)c(C(=O)O)c1Br Amb1109622 [0,2,0,0,0,0|1,0,1]=4 1319 B11R1.673 Cc1oc(C)c(C(=O)O)c1C Amb449038 [0,2,0,0,0,0|1,0,1]=4 1320 B11R1.673 Cc1oc(C)c(C(=O)O)c1I Amb25686088 [0,2,0,0,0,0|1,0,1]=4 1321 B11R1.673 Cc1oc(C)c(C(=O)O)c1S Amb26039371 [0,2,0,0,0,0|0,1,1]=4 1322 B11R1.673 Cc1oc(C)c(C(C)O)c1C Amb27450298 [0,2,0,0,0,0|1,0,1]=4 1323 B11R1.1331 CC1(C)OC(C)(C)C(=O)C1=O Amb22522950 [0,2,0,0,0,0|0,0,2]=4 1324 B11R1.1331 CC1(C)OC(C)(C)C(O)C1=O Amb28249681 [0,2,0,0,0,0|0,0,2]=4 1325 B9R1.3 CC1=C(C)C(=O)CCC1 Amb17593288 [0,0,1,1,0,0|2,0,0]=4 1326 B9R1.3 CC1=C(Cl)CCCC1=O Amb4036614 [0,0,1,1,0,0|2,0,0]=4 1327 B9R1.3 CC1=C(N)CCCC1=O Amb27798039 [0,0,1,1,0,0|2,0,0]=4 1328 B9R1.3 CC1=C(O)C(=O)C=CO1 Amb18511880 [0,0,1,1,0,0|0,0,2]=4 1329 B9R1.3 CC1=C(O)C(=O)CCO1 Amb24736224 [0,0,1,1,0,0|0,0,0]=2 1330 B9R1.3 CC1=C(O)CCCC1=O Amb25147218 [0,0,1,1,0,0|1,0,0]=3 1331 B9R1.3 CC1=CCCC(C)C1=O Amb17593286 [0,0,1,1,0,0|2,0,0]=4 1332 B9R1.3 CC1OC=CC(=O)C1=O Amb26429858 [0,0,1,1,0,0|0,0,2]=4 1333 B9R1.3 O=C1C(O)=CCOC1O Amb27164545 [0,0,1,1,0,0|1,0,0]=3 1334 B9R1.3 O=C1CCCC(=O)C1=O Amb27838803 [0,0,1,1,0,0|0,0,2]=4 1335 B9R1.3 O=C1CCCC(Cl)=C1Cl Amb24736273 [0,0,1,1,0,0|2,0,0]=4 1336 B9R1.3 O=C1CCCC(O)=C1Cl Amb2724553 [0,0,1,1,0,0|1,0,0]=3 1337 B9R1.3 O=C1CCCC(O)=C1F Amb27599391 [0,0,1,1,0,0|1,0,0]=3 1338 B9R1.3 O=C1CCCC(O)=C1I Amb31291506 [0,0,1,1,0,0|1,0,0]=3 1339 B9R1.3 O=C1[C@H](O)CCC[C@H]1O Amb28052305 [0,0,1,1,0,0|0,0,2]=4 1340 B9R1.41 C=C(C)C1=CCCC1=O Amb27838799 [0,0,1,1,0,0|2,0,0]=4 1341 B9R1.41 CC(=O)C1=C(O)CCO1 Amb25918211 [0,0,1,1,0,0|0,0,2]=4 1342 B9R1.41 C\C(N)=C1\CCCC1=O Amb28381161 [0,0,1,1,0,0|2,0,0]=4 1343 B9R1.41 C\C(O)=C1\OC=CC1=O Amb25686104 [0,0,1,1,0,0|0,0,2]=4 1344 B9R1.55 CC(C)=C1CC(C)C1=O Amb27838814 [0,0,1,1,0,0|2,0,0]=4 1345 B9R1.101 O=C(\C(O)=C\O)C1CC1 Amb27838719 [0,0,1,1,0,0|2,0,0]=4 1346 B9R1.159 C=C(C)C1(O)CCC1=O Amb27762507 [0,0,1,1,0,0|1,0,1]=4 1347 B9R1.11 C=CC(=O)C1CCCO1 Amb25139821 [0,0,1,1,0,0|1,0,1]=4 1348 B9R1.11 O=C(NO)C1CCCO1 Amb6264210 [0,0,1,1,0,0|1,0,1]=4 1349 B9R1.11 O=C(NO)[C@H]1CCCO1 Amb27837680 [0,0,1,1,0,0|1,0,1]=4 1350 B9R1.11 O=CC(=O)C1CCCO1 Amb27817025 [0,0,1,1,0,0|0,0,2]=4 1351 B9R1.15 CC1=C(C=O)SCCS1 Amb26427222 [0,0,1,1,0,0|0,2,0]=4 1352 B9R1.69 CC1=CNC(=O)C(C)O1 Amb27801351 [0,0,1,1,0,0|2,0,0]=4 1353 B9R1.69 CC1OC(=O)C=CC1=O Amb27948593 [0,0,1,1,0,0|2,0,0]=4 1354 B9R1.69 C[C@@H]1C=CC(=O)[C@@H](C)O1 Amb27267068 [0,0,1,1,0,0|1,0,1]=4 1355 B9R1.69 C[C@H]1OC(=O)C=CC1=O Amb28351021 [0,0,1,1,0,0|2,0,0]=4 1356 B9R1.135 CCOC1=C(C)C(=O)C1 Amb28253635 [0,0,1,1,0,0|1,0,0]=3 1357 B9R1.2 CC1=CCCC(C=O)O1 Amb27796530 [0,0,1,1,0,0|1,0,0]=3 1358 B9R1.2 O=CC1CC=CC(=O)O1 Amb18642367 [0,0,1,1,0,0|2,0,0]=4 1359 B9R1.21 O=CC1CCC(C=O)O1 Amb23455522 [0,0,1,1,0,0|0,0,2]=4 1360 B9R1.21 O=CC1CCC(CO)O1 Amb18642773 [0,0,1,1,0,0|0,0,2]=4 1361 B9R1.79 CC(C=O)OC1COC1 Amb30020586 [0,0,1,1,0,0|0,0,2]=4 1362 B9R1.125 CC1=CC(C)(C=O)N=C1 Amb27830168 [0,0,1,1,0,0|2,0,0]=4 1363 B9R2.25 CC1=CC(=O)C2OC12 Amb27409563 [1,0,0,1,0,0|2,0,0]=4 1364 B9R2.25 CC1=CC(=O)[C@@H]2C[C@H]12 Amb27797370 [1,0,0,1,0,0|1,0,0]=3 1365 B9R2.39 O=C1CC2CCC1O2 Amb25322815 [1,0,0,1,0,0|0,0,2]=4 1366 B9R2.39 O=C1C[C@H]2CC[C@@H]1O2 Amb27195774 [1,0,0,1,0,0|0,0,2]=4 1367 B11R2.130 O=C1CC2CCC(O2)C1O Amb27262993 [0,0,0,1,0,1|0,0,2]=4 1368 B11R2.1053 C=C1C[C@@]2(C)O[C@@]2(C)C1=O Amb28052533 [0,0,0,1,0,1|1,0,1]=4 1369 B11R2.201 O=C1OC(=O)C2CCC1O2 Amb27214562 [0,0,0,1,0,1|0,0,2]=4 1370 B11R2.497 CC1=C(C)[C@H]2C[C@@]2(C)C1=O Amb27630913 [0,0,0,1,0,1|2,0,0]=4 1371 B11R2.494 CC1=C(C)[C@@H]2CC[C@@H]2C1=O Amb28052173 [0,1,0,1,0,0|2,0,0]=4 1372 B11R2.28 CO[C@H]1C(=O)[C@H]2CC[C@@H]1O2 Amb27427685 [0,1,0,1,0,0|0,0,2]=4 1373 B7R1.15 C=C1C(=O)C=C1C Amb27802553 [1,0,0,0,1,0|0,0,2]=4 1374 B7R1.15 CC1=C(C)C(=O)C1 Amb27226738 [1,0,0,0,1,0|0,0,2]=4 1375 B7R1.15 CC1C(=O)CC1=O Amb24364046 [1,0,0,0,1,0|1,0,1]=4 1376 B7R1.15 CC1CC(=O)C1C Amb33551302 [1,0,0,0,1,0|0,0,2]=4 1377 B7R1.15 CC1NC(=O)C1C Amb22364651 [1,0,0,0,1,0|1,0,1]=4 1378 B7R1.15 C[C@@H]1C(=O)C[C@H]1C Amb27865634 [1,0,0,0,1,0|0,0,2]=4 1379 B7R1.15 C[C@H]1CC(=O)[C@@H]1C Amb27433516 [1,0,0,0,1,0|0,0,2]=4 1380 B7R1.15 C[C@H]1CC(=O)[C@H]1C Amb27788507 [1,0,0,0,1,0|0,0,2]=4 1381 B9R1.34 CC1=CC(=N)NC(C)C1 Amb27179678 [1,0,0,0,0,1|2,0,0]=4 1382 B9R1.34 CC1=CC(=O)C=C(C)N1 Amb33544636 [1,0,0,0,0,1|1,0,1]=4 1383 B9R1.34 CC1=CC(=O)C=C(C)O1 Amb19116892 [1,0,0,0,0,1|0,0,1]=3 1384 B9R1.34 CC1=CC(=O)C=C(O)O1 Amb21963752 [1,0,0,0,0,1|1,0,1]=4 1385 B9R1.34 CC1=CC(=O)CC(=O)O1 Amb17778431 [1,0,0,0,0,1|1,0,1]=4 1386 B9R1.34 CC1=CC(=O)CC(C)C1 Amb4605909 [1,0,0,0,0,1|1,0,0]=3 1387 B9R1.34 CC1=CC(=O)CC(C)O1 Amb25267464 [1,0,0,0,0,1|0,0,0]=2 1388 B9R1.34 CC1=CC(=O)N=C(N)O1 Amb27194586 [1,0,0,0,0,1|1,0,1]=4 1389 B9R1.34 CC1=CC(=O)NC(C)=C1 Amb20240634 [1,0,0,0,0,1|1,0,1]=4 1390 B9R1.34 CC1=CC(=O)NC(C)=N1 Amb19116070 [1,0,0,0,0,1|1,0,1]=4 1391 B9R1.34 CC1=CC(=O)NC(C)C1 Amb27852830 [1,0,0,0,0,1|1,0,0]=3 1392 B9R1.34 CC1=CC(=S)C=C(C)O1 Amb18526845 [1,0,0,0,0,1|0,1,1]=4 1393 B9R1.34 CC1=CC(C)CC(=O)C1 Amb26515881 [1,0,0,0,0,1|1,0,1]=4 1394 B9R1.34 CC1=CC(C)CC(=O)O1 Amb27812237 [1,0,0,0,0,1|2,0,0]=4 1395 B9R1.34 CC1=CC(O)=CC(=O)O1 Amb19222833 [1,0,0,0,0,1|1,0,1]=4 1396 B9R1.34 CC1=NC(C)NC(=O)C1 Amb32418263 [1,0,0,0,0,1|1,0,1]=4 1397 B9R1.34 CC1CC(=O)C=C(Cl)C1 Amb7094066 [1,0,0,0,0,1|2,0,0]=4 1398 B9R1.34 CC1CC(=O)C=C(N)C1 Amb7094072 [1,0,0,0,0,1|2,0,0]=4 1399 B9R1.34 CC1CC(=O)CC(=O)O1 Amb24422515 [1,0,0,0,0,1|1,0,1]=4 1400 B9R1.34 CC1CC(=O)CC(C)O1 Amb10072038 [1,0,0,0,0,1|0,0,2]=4 1401 B9R1.34 CC1CC(O)=CC(=O)O1 Amb22347797 [1,0,0,0,0,1|1,0,1]=4 1402 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Amb24056554 [1,0,0,0,0,1|0,0,2]=4 1403 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 Amb24620055 [1,0,0,0,0,1|0,0,2]=4 1404 B9R1.34 Cc1cc(C)cc(O)c1 Amb3939552 [1,0,0,0,0,1|1,0,1]=4 1405 B9R1.34 Cc1cc(C)nc(O)c1 Amb2696836 [1,0,0,0,0,1|1,0,1]=4 1406 B9R1.34 Cc1cc(O)cc(C)n1 Amb2687530 [1,0,0,0,0,1|1,0,1]=4 1407 B9R1.34 Cc1cc(O)nc(C)n1 Amb2609948 [1,0,0,0,0,1|1,0,1]=4 1408 B11R1.494 CC1=CC(=O)C(O)=C(C)C=C1 Amb26479543 [0,0,0,0,0,2|1,0,1]=4 1409 B11R1.494 CC1=CC(C)=C(O)C(=O)C=C1 Amb28253374 [0,0,0,0,0,2|1,0,1]=4 1410 B11R1.678 CC1=CC(C)C(=O)NC(C)=C1 Amb17940318 [0,0,0,0,0,2|2,0,0]=4 1411 B11R1.678 CC1=NN(C)C(=O)NC(O)=C1 Amb26867022 [0,0,0,0,0,2|2,0,0]=4 1412 B11R1.499 CC1=C(Cl)C(=O)C(C)CCC1 Amb25092926 [0,0,0,0,0,2|2,0,0]=4