0 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 M0256 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 H0461 [1,0,0,0,0,0|1,0,0]=2 2 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 M3913 [1,0,0,0,0,0|3,0,0]=4 3 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M0221 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H7328 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H7328 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H9102 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.21 C[C@@H](N)CCC1=CC=C(O)C=C1 A15452 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 A17898 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 B10266 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C8385 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F2688 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 H0304 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 H0216 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.71 COC1=CC=C(CCC=O)C=C1 M7640 [1,0,0,0,0,0|1,0,0]=2 15 B12R1.71 COC1=CC=C(CN=C=O)C=C1 M7584 [1,0,0,0,0,0|1,0,1]=3 16 B14R1.2 COC1=CC=C(C(=O)CC(C)=O)C=C1 M16305 [0,1,0,0,0,0|1,0,1]=3 17 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=N1 A1935 [0,1,0,0,0,0|3,0,0]=4 18 B14R1.2 COC1=CC=C([C@H](N)CC(=O)O)C=N1 A1937 [0,1,0,0,0,0|3,0,0]=4 19 B14R1.2 COC1=NC=C(C(N)CC(=O)O)C=C1 A1938 [0,1,0,0,0,0|3,0,0]=4 20 B14R1.3 C=C(C)C(=O)NC1=CC=C(OC)C=C1 M15869 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.3 COC1=CC=C(CC(=O)N(C)C)C=C1 D8738 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 M8809 [0,1,0,0,0,0|2,0,0]=3 23 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 M5028 [0,1,0,0,0,0|2,0,0]=3 24 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 T10362 [0,1,0,0,0,0|2,0,0]=3 25 B14R1.3 COC1=CC=C(NC(=S)C(N)=O)C=C1 M9455 [0,1,0,0,0,0|3,0,0]=4 26 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 M8684 [0,1,0,0,0,0|1,0,1]=3 27 B14R1.103 COC1=CC=C(\C=C\C(=O)O)C(O)=C1 H14839 [0,1,0,0,0,0|2,0,1]=4 28 B14R1.419 O=C(Cl)OCC1=CC=C([N+](=O)[O-])C=C1 N9703 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1F F8842 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)C2 M8065 [0,0,0,1,0,0|1,0,0]=2 31 B14R2.134 COC1=CC2=C(C=C1)CCC(N)C2 A18245 [0,0,0,1,0,0|2,0,1]=4 32 B14R2.134 COC1=CC2=C(C=C1)CCC(N)C2 M6730 [0,0,0,1,0,0|2,0,1]=4 33 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)N2 M17099 [0,0,0,1,0,0|3,0,0]=4 34 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 M8057 [0,0,0,1,0,0|2,0,1]=4 35 B12R1.4 CC(=O)CC1=CC=C(C#N)C=C1 C13033 [0,0,0,0,1,0|2,0,0]=3 36 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 A7494 [0,0,0,0,1,0|3,0,0]=4 37 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 A0738 [0,0,0,0,1,0|3,0,0]=4 38 B12R1.4 CCC1=CC=C(CC(=N)N)C=C1 E14094 [0,0,0,0,1,0|3,0,0]=4 39 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 E7545 [0,0,0,0,1,0|1,0,0]=2 40 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 M13849 [0,0,0,0,1,0|2,0,0]=3 41 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 M4993 [0,0,0,0,1,0|1,0,0]=2 42 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M1760 [0,0,0,0,1,0|0,0,0]=1 43 B12R1.4 CSC1=CC=C(CC(=N)N)C=C1 M13860 [0,0,0,0,1,0|2,1,0]=4 44 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 C8389 [0,0,0,0,1,0|3,0,0]=4 45 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 M8773 [0,0,0,0,0,1|2,0,0]=3 46 B11R1.1 CNCCC1=CC=C(O)C=C1 M14940 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.1 COCCC1=CC=C(O)C=C1 M0084 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.83 CNCC1=CC=C(OC)C=C1 M12442 [2,0,0,0,0,0|1,0,0]=3 50 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M1255 [1,1,0,0,0,0|1,0,0]=3 51 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 M8123 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 M8123 [1,1,0,0,0,0|1,0,1]=4 53 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 T2383 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T19184 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T6097 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.511 NC1=C(O)C=CC(CCC(=O)O)=C1 A14459 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 D8276 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.371 CCCCCC1=CC=C(OC)C=C1 M8148 [1,1,0,0,0,0|1,0,1]=4 59 B13R1.4 COC1=CC=C(C[Si](C)(C)C)C=C1 M16620 [0,1,0,0,1,0|1,1,0]=4 60 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 B10843 [0,1,0,0,1,0|1,0,0]=3 61 B13R1.35 COC1=C(F)C=C(CC(=N)N)C=C1 F14031 [0,1,0,0,1,0|2,0,0]=4 62 B13R1.35 COC1=C(N)C=C(NC(C)=O)C=C1 A0904 [0,1,0,0,1,0|1,0,0]=3 63 B13R1.35 COC1=CC=C(CC(=O)O)C=C1O H8278 [0,1,0,0,1,0|1,0,0]=3 64 B13R1.36 CCC1=CC=C(C(N)C(=O)O)C=C1 A13184 [0,1,0,0,1,0|2,0,0]=4 65 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 A15381 [0,1,0,0,1,0|1,0,0]=3 66 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 M12692 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.142 CCOC1=CC=C(CC(=N)N)C=C1 E14095 [0,1,0,0,1,0|2,0,0]=4 68 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 A1274 [0,1,0,0,1,0|1,0,0]=3 69 B13R1.585 CC(=O)OC1=CC=C(C(C)C)C=C1 I8134 [0,1,0,0,1,0|1,0,0]=3 70 B13R1.585 CC(=O)OC1=CC=C([N+](=O)[O-])C=C1 N8241 [0,1,0,0,1,0|2,0,0]=4 71 B15R1.204 COC1=CC=C(NC(=O)CC(C)=O)C=C1 A9329 [0,1,0,0,0,1|1,0,1]=4 72 B15R1.2 COC1=CC=C(C(CN)CC(=O)O)C=C1 A14474 [0,2,0,0,0,0|2,0,0]=4 73 B15R1.208 COC1=CC=C(CC(CN)C(=O)O)C=C1 A18171 [0,2,0,0,0,0|2,0,0]=4 74 B15R1.499 CC(=O)CCC1=CC=C(OC(C)=O)C=C1 A5321 [0,2,0,0,0,0|1,0,0]=3 75 B15R1.12854 COC1=CC=C(CCC(=O)O)C=C1OC D2314 [0,2,0,0,0,0|2,0,0]=4 76 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 H2958 [1,0,0,1,0,0|2,0,0]=4 77 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 H2958 [1,0,0,1,0,0|2,0,0]=4 78 B13R2.669 COC1=CC=C2CCC(=O)C2=C1 M2270 [1,0,0,1,0,0|1,0,0]=3 79 B13R2.2121 COC1=CC=C2CC(=O)NC2=C1 M12298 [0,0,0,1,1,0|1,0,0]=3 80 B13R2.2121 COC1=CC=C2NC(=O)CC2=C1 M12297 [0,0,0,1,1,0|1,0,0]=3 81 B15R2.31105 COC1=CC=C2CCC(=O)NCC2=C1 M14435 [0,1,0,1,0,0|1,0,0]=3 82 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 M8680 [0,1,0,1,0,0|1,0,0]=3 83 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 D12489 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 A1579 [1,0,0,0,1,0|2,0,0]=4 85 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 A1916 [1,0,0,0,1,0|1,0,0]=3 86 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 A3877 [1,0,0,0,1,0|1,1,0]=4 87 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 T13930 [1,0,0,0,1,0|2,0,0]=4 88 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T2230 [1,0,0,0,1,0|1,0,0]=3 89 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A0970 [1,0,0,0,1,0|2,0,0]=4 90 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 B10452 [1,0,0,0,1,0|2,0,0]=4 91 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 F7924 [1,0,0,0,1,0|2,0,0]=4 92 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B1332 [1,0,0,0,1,0|2,0,0]=4 93 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B1332 [1,0,0,0,1,0|2,0,0]=4 94 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C11770 [1,0,0,0,1,0|2,0,0]=4 95 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F0757 [1,0,0,0,1,0|2,0,0]=4 96 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 H4994 [1,0,0,0,1,0|1,0,0]=3 97 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 A5043 [0,0,0,0,2,0|2,0,0]=4 98 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 E7783 [0,0,0,0,2,0|2,0,0]=4 99 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 E0723 [0,0,0,0,2,0|1,0,0]=3 100 B11R1.3 COC1=CC=C(C(=N)N)C=C1 N13857 [0,0,0,0,2,0|2,0,0]=4 101 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 M4581 [0,0,0,0,2,0|1,0,0]=3 102 B11R1.3 COC1=NC=C(C(C)=O)C=C1 A11427 [0,0,0,0,2,0|1,0,0]=3 103 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 M3891 [0,0,0,0,2,0|1,1,0]=4 104 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M1131 [0,0,0,0,2,0|0,1,0]=3