0 B14R1.686 CC1=C(F)C=C(C[C@H](N)C(=O)O)C=C1 Y12213 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.686 CC1=C(F)C=C(C[C@H](N)C(=O)O)C=C1 Y12503 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.686 CC1=C(F)C=C(C[C@H](N)C(=O)O)C=C1 Y12504 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.686 CC1=C(I)C=C(C[C@H](N)C(=O)O)C=C1 Y14808 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.686 CC1=C(I)C=C(C[C@H](N)C(=O)O)C=C1 Y14809 [0,0,0,0,0,0|2,0,0]=2 5 B14R1.686 CC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 50865 [0,0,0,0,0,0|1,0,0]=1 6 B14R1.686 CC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 Y14826 [0,0,0,0,0,0|1,0,0]=1 7 B14R1.686 N[C@@H](CC1=CC(F)=C(Br)C=C1)C(=O)O Y12869 [0,0,0,0,0,0|2,0,0]=2 8 B14R1.686 N[C@@H](CC1=CC(F)=C(Br)C=C1)C(=O)O Y12902 [0,0,0,0,0,0|2,0,0]=2 9 B14R1.686 N[C@@H](CC1=CC(I)=C(Cl)C=C1)C(=O)O Y13414 [0,0,0,0,0,0|2,0,0]=2 10 B14R1.686 N[C@@H](CC1=CC(I)=C(F)C=C1)C(=O)O Y13412 [0,0,0,0,0,0|2,0,0]=2 11 B14R1.686 N[C@@H](CC1=CC(I)=C(F)C=C1)C(=O)O Y13413 [0,0,0,0,0,0|2,0,0]=2 12 B14R1.686 N[C@@H](CC1=CC(O)=C(F)C=C1)C(=O)O Y14209 [0,0,0,0,0,0|1,0,0]=1 13 B14R1.686 N[C@@H](CC1=CC(O)=C(F)C=C1)C(=O)O Y14230 [0,0,0,0,0,0|1,0,0]=1 14 B14R1.686 N[C@@H](CC1=CC(O)=C(F)C=C1)C(=O)O Y14248 [0,0,0,0,0,0|1,0,0]=1 15 B14R1.686 O=C(O)[C@@H](O)CC1=CC(O)=C(O)C=C1 A12835 [0,0,0,0,0,0|1,0,0]=1 16 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CN=C1 Y12875 [1,0,0,0,0,0|2,0,0]=3 17 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CN=C1 Y12906 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.148 N[C@@H](CC1=CC(Cl)=CN=C1)C(=O)O Y12876 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.148 N[C@@H](CC1=CC(Cl)=CN=C1)C(=O)O Y12907 [1,0,0,0,0,0|2,0,0]=3 20 B13R1.148 N[C@@H](CC1=CC(F)=CN=C1)C(=O)O Y10843 [1,0,0,0,0,0|2,0,0]=3 21 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O Y11468 [1,0,0,0,0,0|0,0,0]=1 22 B15R1.676 N#C\C(=C/C1=CC(O)=C(O)C=C1)C(=O)O D70090 [0,1,0,0,0,0|0,0,3]=4 23 B15R1.3777 COC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 Y13614 [0,1,0,0,0,0|0,0,0]=1 24 B15R1.3777 COC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 Y14115 [0,1,0,0,0,0|0,0,0]=1 25 B15R1.4038 COC1=C(O)C=CC(C[C@H](O)C(=O)O)=C1 W12319 [0,1,0,0,0,0|1,0,0]=2 26 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(C)=C(Br)C=C1 Y12087 [0,1,0,0,0,0|2,0,0]=3 27 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(F)=C(C)C=C1 Y11939 [0,1,0,0,0,0|2,0,0]=3 28 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(F)=C(C)C=C1 Y11940 [0,1,0,0,0,0|2,0,0]=3 29 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(F)=C(C)C=C1 Y13033 [0,1,0,0,0,0|2,0,0]=3 30 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(F)=C(F)C=C1 Y13742 [0,1,0,0,0,0|2,0,0]=3 31 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(F)=C(O)C=C1 Y14864 [0,1,0,0,0,0|1,0,0]=2 32 B15R1.8394 N[C@@H](CC1=C(O)C=C(O)C(O)=C1)C(=O)O P19978 [0,1,0,0,0,0|0,0,0]=1 33 B15R2.18974 O=C(O)[C@H]1C[C@@H]1C2=CC(F)=C(F)C=C2 96612 [0,0,0,1,0,0|3,0,0]=4 34 B13R1.510 CC1=C(Br)C=CC([C@@H](N)C(=O)O)=C1 Y12569 [0,0,0,0,1,0|2,0,0]=3 35 B13R1.510 CC1=C(Br)C=CC([C@@H](N)C(=O)O)=C1 Y12570 [0,0,0,0,1,0|2,0,0]=3 36 B13R1.510 N[C@@H](C(=O)O)C1=CC(F)=C(F)C=C1 D85210 [0,0,0,0,1,0|2,0,0]=3 37 B13R1.510 N[C@@H](C(=O)O)C1=CC(F)=C(F)C=C1 Y14797 [0,0,0,0,1,0|2,0,0]=3 38 B12R1.21 O=C(O)CCC1=CN=C(F)C=C1 72627 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 Y14423 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.226 CC1=CC(CCC(=O)O)=NC=C1 71960 [2,0,0,0,0,0|2,0,0]=4 41 B14R1.3 C=CC1=CC=C(C[C@H](N)C(=O)O)C=C1 Y14035 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.3 C=CC1=CC=C(C[C@H](N)C(=O)O)C=C1 Y14484 [1,1,0,0,0,0|1,0,0]=3 43 B14R1.3 N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O AT22619 [1,1,0,0,0,0|0,0,0]=2 44 B14R1.3 N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O Y11045 [1,1,0,0,0,0|0,0,0]=2 45 B14R1.3 N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O Y13608 [1,1,0,0,0,0|0,0,0]=2 46 B14R1.134 COC(=O)[C@@H](N)CC1=CN=C(N)C=C1 Y11495 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(Br)C=C1 N10541 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(Cl)C=C1 Y11460 [1,1,0,0,0,0|2,0,0]=4 49 B14R1.6049 CC1=CC(F)=C(C[C@H](N)C(=O)O)C=C1 Y12873 [1,1,0,0,0,0|1,0,0]=3 50 B14R1.6049 CC1=CC(F)=C(C[C@H](N)C(=O)O)C=C1 Y12905 [1,1,0,0,0,0|1,0,0]=3 51 B14R1.6049 NC1=C(C[C@H](N)C(=O)O)C=CC(F)=C1 Y11237 [1,1,0,0,0,0|1,0,0]=3 52 B14R1.6049 N[C@@H](CC1=C(Cl)C=C(O)C=C1)C(=O)O Y14207 [1,1,0,0,0,0|0,0,0]=2 53 B14R1.6049 N[C@@H](CC1=C(F)C=C(Cl)C=C1)C(=O)O Y14020 [1,1,0,0,0,0|1,0,0]=3 54 B14R1.6049 N[C@@H](CC1=C(F)C=C(O)C=C1)C(=O)O D85255 [1,1,0,0,0,0|0,0,0]=2 55 B14R1.6049 N[C@@H](CC1=C(F)C=C(O)C=C1)C(=O)O D85955 [1,1,0,0,0,0|0,0,0]=2 56 B14R1.6049 N[C@@H](CC1=C(F)C=C(O)C=C1)C(=O)O Y13603 [1,1,0,0,0,0|0,0,0]=2 57 B14R1.6049 N[C@@H](CC1=C(F)C=C(O)C=C1)C(=O)O Y13604 [1,1,0,0,0,0|0,0,0]=2 58 B14R1.6049 N[C@@H](CC1=C(O)C=C(F)C=C1)C(=O)O Y14208 [1,1,0,0,0,0|1,0,0]=3 59 B14R1.6049 N[C@@H](CC1=C(O)C=C(O)C=C1)C(=O)O Y11694 [1,1,0,0,0,0|0,0,0]=2 60 B14R1.6049 N[C@@H](CC1=CC=C(F)N=C1F)C(=O)O Y11236 [1,1,0,0,0,0|2,0,0]=4 61 B14R1.6049 N[C@@H](CC1=CC=C(F)N=C1F)C(=O)O Y12908 [1,1,0,0,0,0|2,0,0]=4 62 B14R1.7626 C[C@](N)(CC1=CC=C(Br)C=C1)C(=O)O Y11046 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.135 COC(=O)[C@@H](N)CC1=CC(Cl)=CN=C1 Y12125 [1,1,0,0,0,0|2,0,0]=4 64 B14R1.135 COC(=O)[C@@H](N)CC1=CC(Cl)=CN=C1 Y12126 [1,1,0,0,0,0|2,0,0]=4 65 B14R1.135 COC(=O)[C@@H](N)CC1=CN=CC(C)=C1 Y12224 [1,1,0,0,0,0|2,0,0]=4 66 B14R1.135 COC(=O)[C@@H](N)CC1=CN=CC(C)=C1 Y12225 [1,1,0,0,0,0|2,0,0]=4 67 B14R1.153 CC1=C(I)C=CC=C1C[C@H](N)C(=O)O Y14619 [1,1,0,0,0,0|1,0,0]=3 68 B14R1.153 CC1=C(I)C=CC=C1C[C@H](N)C(=O)O Y14810 [1,1,0,0,0,0|1,0,0]=3 69 B14R1.153 N[C@@H](CC1=CC=CC(F)=C1O)C(=O)O Y14210 [1,1,0,0,0,0|1,0,0]=3 70 B14R1.153 N[C@@H](CC1=CC=CC(F)=C1O)C(=O)O Y14231 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.153 N[C@@H](CC1=CC=CC(F)=C1O)C(=O)O Y14250 [1,1,0,0,0,0|1,0,0]=3 72 B14R1.4257 CC1=CC(C[C@H](N)C(=O)O)=CC(O)=C1 Y13062 [1,1,0,0,0,0|0,0,0]=2 73 B14R1.4257 CC1=CC(I)=CC(C[C@H](N)C(=O)O)=C1 Y14806 [1,1,0,0,0,0|1,0,0]=3 74 B14R1.4257 CC1=CC(I)=CC(C[C@H](N)C(=O)O)=C1 Y14807 [1,1,0,0,0,0|1,0,0]=3 75 B14R1.4257 N[C@@H](CC1=CC(F)=CC(O)=C1)C(=O)O Y12871 [1,1,0,0,0,0|0,0,0]=2 76 B14R1.4257 N[C@@H](CC1=CC(F)=CC(O)=C1)C(=O)O Y12903 [1,1,0,0,0,0|0,0,0]=2 77 B14R1.4257 N[C@@H](CC1=CC(F)=CC(O)=C1)C(=O)O Y12925 [1,1,0,0,0,0|0,0,0]=2 78 B14R1.4257 N[C@@H](CC1=CC(I)=CC(Cl)=C1)C(=O)O Y13410 [1,1,0,0,0,0|1,0,0]=3 79 B14R1.4257 N[C@@H](CC1=CC(I)=CC(Cl)=C1)C(=O)O Y13411 [1,1,0,0,0,0|1,0,0]=3 80 B14R1.4404 CC(C)(CC1=CC=CC(Br)=C1)C(=O)O C90966 [1,1,0,0,0,0|2,0,0]=4 81 B14R1.4474 CC1=C(C[C@H](N)C(=O)O)C=C(I)C=C1 Y14650 [1,1,0,0,0,0|1,0,0]=3 82 B14R1.4474 CC1=C(C[C@H](N)C(=O)O)C=C(I)C=C1 Y14805 [1,1,0,0,0,0|1,0,0]=3 83 B14R1.4474 N[C@@H](CC1=C(Cl)C=CC(I)=C1)C(=O)O Y13408 [1,1,0,0,0,0|1,0,0]=3 84 B14R1.4474 N[C@@H](CC1=C(Cl)C=CC(I)=C1)C(=O)O Y13409 [1,1,0,0,0,0|1,0,0]=3 85 B14R1.4474 N[C@@H](CC1=C(F)C=CC(I)=C1)C(=O)O Y14618 [1,1,0,0,0,0|1,0,0]=3 86 B14R1.4474 N[C@@H](CC1=C(F)C=CC(I)=C1)C(=O)O Y14802 [1,1,0,0,0,0|1,0,0]=3 87 B14R1.4474 N[C@@H](CC1=C(F)C=CC(O)=C1)C(=O)O Y13731 [1,1,0,0,0,0|0,0,0]=2 88 B14R1.4474 N[C@@H](CC1=C(F)C=CC(O)=C1)C(=O)O Y14012 [1,1,0,0,0,0|0,0,0]=2 89 B14R1.4474 N[C@@H](CC1=C(F)C=CC(O)=C1)C(=O)O Y14179 [1,1,0,0,0,0|0,0,0]=2 90 B14R1.4474 N[C@@H](CC1=C(O)C=CC(F)=C1)C(=O)O Y12872 [1,1,0,0,0,0|1,0,0]=3 91 B14R1.4474 N[C@@H](CC1=C(O)C=CC(F)=C1)C(=O)O Y12904 [1,1,0,0,0,0|1,0,0]=3 92 B14R1.4474 N[C@@H](CC1=C(O)C=CC(F)=C1)C(=O)O Y12926 [1,1,0,0,0,0|1,0,0]=3 93 B14R1.685 CC1=C(Br)C=CC([C@@H](N)CC(=O)O)=C1 Y12888 [1,1,0,0,0,0|2,0,0]=4 94 B14R1.685 CC1=C(Br)C=CC([C@@H](N)CC(=O)O)=C1 Y12916 [1,1,0,0,0,0|2,0,0]=4 95 B14R1.685 N[C@@H](CC(=O)O)C1=CC(F)=C(O)C=C1 Y11123 [1,1,0,0,0,0|1,0,0]=3 96 B14R1.3653 COC1=C(F)C=C(CCC(=O)O)C=C1 Y10323 [1,1,0,0,0,0|1,0,0]=3 97 B14R1.3652 COC1=C(Cl)C=C([C@@H](N)C(=O)O)C=C1 D85257 [0,1,0,0,1,0|1,0,0]=3 98 B16R1.4274 COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1 Y11812 [0,2,0,0,0,0|0,0,0]=2 99 B16R1.4294 COC(=O)[C@@H](N)CC1=CC(O)=C(OC)C=C1 Y13741 [0,2,0,0,0,0|0,0,0]=2 100 B16R1.4294 COC(=O)[C@@H](N)CC1=CC(O)=C(OC)C=C1 Y14335 [0,2,0,0,0,0|0,0,0]=2 101 B16R1.6718 CC1=C([N+](=O)[O-])C=CC(C[C@H](N)C(=O)O)=C1 Y14649 [0,2,0,0,0,0|1,0,1]=4 102 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 W19711 [1,0,0,1,0,0|2,0,0]=4 103 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 58111 [1,0,0,1,0,0|2,0,0]=4 104 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 AC8131 [1,0,0,1,0,0|2,0,0]=4 105 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(F)C=C2 58129 [1,0,0,1,0,0|2,0,0]=4 106 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(F)C=C2 AC9772 [1,0,0,1,0,0|2,0,0]=4 107 B14R2.8239 N[C@H]1CC2=C(C=C(Cl)C=C2)NC1=O F12663 [1,0,0,1,0,0|2,0,0]=4 108 B16R2.6257 N[C@@H](CC1=CC2=C(C=C1)OCO2)C(=O)O Y14854 [0,1,0,1,0,0|0,0,0]=2 109 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 C76186 [1,0,0,0,1,0|1,0,0]=3 110 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 Y11075 [1,0,0,0,1,0|2,0,0]=4 111 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 Y11001 [1,0,0,0,1,0|1,0,0]=3